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/M33-bbe0e822/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/M33-bbe0e822/inputs/seq.fa: 1
curr_seq: _GACUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACUGUG
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 7 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: 40
n_atoms_counter: 40
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/M33-bbe0e822/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/M33-bbe0e822/inputs/seq.fa: 1
curr_seq: _GACUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACUGUG
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 7 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: 40
n_atoms_counter: 40
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/M33-bbe0e822/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/M33-bbe0e822/inputs/seq.fa: 1
curr_seq: _GACUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACUGUG
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 7 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: 40
n_atoms_counter: 40
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/M33-bbe0e822/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/M33-bbe0e822/inputs/seq.fa: 1
curr_seq: _GACUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACUGUG
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 7 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: 40
n_atoms_counter: 40
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/M33-bbe0e822/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/M33-bbe0e822/inputs/seq.fa: 1
curr_seq: _GACUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACUGUG
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 7 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: 40
n_atoms_counter: 40
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/M33-bbe0e822/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/M33-bbe0e822/inputs/seq.fa: 1
curr_seq: _GACUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACUGUG
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 7 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: 40
n_atoms_counter: 40
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/M33-bbe0e822/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/M33-bbe0e822/inputs/seq.fa: 1
curr_seq: _GACUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACUGUG
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 7 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: 40
n_atoms_counter: 40
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/M33-bbe0e822/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/M33-bbe0e822/inputs/seq.fa: 1
curr_seq: _GACUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACUGUG
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 7 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: 40
n_atoms_counter: 40
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/M33-bbe0e822/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/M33-bbe0e822/inputs/seq.fa: 1
curr_seq: _GACUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACUGUG
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 7 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: 40
n_atoms_counter: 40
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/M33-bbe0e822/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/M33-bbe0e822/inputs/seq.fa: 1
curr_seq: _GACUGUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GACUGUG
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 7 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: 40
n_atoms_counter: 40
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.962122 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -23.961949
where:
bonds (distance) C4'-P energy: -6.801
bonds (distance) P-C4' energy: -7.157
flat angles C4'-P-C4' energy: -5.140
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: 1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.962122 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -23.961949
where:
bonds (distance) C4'-P energy: -6.801
bonds (distance) P-C4' energy: -7.157
flat angles C4'-P-C4' energy: -5.140
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: 1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.962122 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -23.961949
where:
bonds (distance) C4'-P energy: -6.801
bonds (distance) P-C4' energy: -7.157
flat angles C4'-P-C4' energy: -5.140
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: 1.015
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.962122 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -23.961949
where:
bonds (distance) C4'-P energy: -6.801
bonds (distance) P-C4' energy: -7.157
flat angles C4'-P-C4' energy: -5.140
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: 1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.962122 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -23.961949
where:
bonds (distance) C4'-P energy: -6.801
bonds (distance) P-C4' energy: -7.157
flat angles C4'-P-C4' energy: -5.140
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: 1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.962122 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -23.961949
where:
bonds (distance) C4'-P energy: -6.801
bonds (distance) P-C4' energy: -7.157
flat angles C4'-P-C4' energy: -5.140
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: 1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.962122 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -23.961949
where:
bonds (distance) C4'-P energy: -6.801
bonds (distance) P-C4' energy: -7.157
flat angles C4'-P-C4' energy: -5.140
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: 1.015
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.962122 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -23.961949
where:
bonds (distance) C4'-P energy: -6.801
bonds (distance) P-C4' energy: -7.157
flat angles C4'-P-C4' energy: -5.140
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: 1.015
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: 1
Temperature: 1.300000
Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.962122 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -23.961949
where:
bonds (distance) C4'-P energy: -6.801
bonds (distance) P-C4' energy: -7.157
flat angles C4'-P-C4' energy: -5.140
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: 1.015
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.962122 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -23.961949
where:
bonds (distance) C4'-P energy: -6.801
bonds (distance) P-C4' energy: -7.157
flat angles C4'-P-C4' energy: -5.140
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: 1.015
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: 2
Temperature: 0.900000
Total energy: -48.224445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.224445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.224445 (E_RNA)
where:
Base-Base interactions energy: -21.372
where: short stacking energy: -21.372
Base-Backbone interact. energy: -0.000
local terms energy: -26.852632
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -5.350
flat angles P-C4'-P energy: -4.192
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -46.028074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.028074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.028074 (E_RNA)
where:
Base-Base interactions energy: -22.076
where: short stacking energy: -15.203
Base-Backbone interact. energy: -1.054
local terms energy: -22.898056
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -4.606
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: -2.032
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -40.802760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.802760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.802760 (E_RNA)
where:
Base-Base interactions energy: -18.418
where: short stacking energy: -14.921
Base-Backbone interact. energy: 0.089
local terms energy: -22.473548
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.710
flat angles P-C4'-P energy: -2.462
tors. eta vs tors. theta energy: -2.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -37.767998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.767998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.767998 (E_RNA)
where:
Base-Base interactions energy: -14.769
where: short stacking energy: -14.769
Base-Backbone interact. energy: -0.001
local terms energy: -22.998484
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -3.067
flat angles C4'-P-C4' energy: -6.385
flat angles P-C4'-P energy: -4.021
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -47.052366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.052366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.052366 (E_RNA)
where:
Base-Base interactions energy: -27.372
where: short stacking energy: -13.272
Base-Backbone interact. energy: -0.071
local terms energy: -19.609128
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -4.944
flat angles P-C4'-P energy: -2.877
tors. eta vs tors. theta energy: -1.846
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: 2
Temperature: 1.150000
Total energy: -33.239024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.239024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.239024 (E_RNA)
where:
Base-Base interactions energy: -17.178
where: short stacking energy: -10.140
Base-Backbone interact. energy: -0.093
local terms energy: -15.967826
where:
bonds (distance) C4'-P energy: -3.920
bonds (distance) P-C4' energy: -4.730
flat angles C4'-P-C4' energy: -1.758
flat angles P-C4'-P energy: -3.340
tors. eta vs tors. theta energy: -2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -39.209803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.209803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.209803 (E_RNA)
where:
Base-Base interactions energy: -14.428
where: short stacking energy: -14.428
Base-Backbone interact. energy: -0.000
local terms energy: -24.781544
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.719
flat angles P-C4'-P energy: -4.595
tors. eta vs tors. theta energy: -2.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -38.317211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.317211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.317211 (E_RNA)
where:
Base-Base interactions energy: -14.034
where: short stacking energy: -14.034
Base-Backbone interact. energy: -0.001
local terms energy: -24.282979
where:
bonds (distance) C4'-P energy: -4.557
bonds (distance) P-C4' energy: -5.413
flat angles C4'-P-C4' energy: -6.608
flat angles P-C4'-P energy: -2.927
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -36.867735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.867735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.867735 (E_RNA)
where:
Base-Base interactions energy: -14.775
where: short stacking energy: -14.775
Base-Backbone interact. energy: -0.090
local terms energy: -22.003172
where:
bonds (distance) C4'-P energy: -3.365
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -3.732
flat angles P-C4'-P energy: -4.753
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -34.545112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.545112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.545112 (E_RNA)
where:
Base-Base interactions energy: -11.577
where: short stacking energy: -9.863
Base-Backbone interact. energy: -0.018
local terms energy: -22.949883
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.301
flat angles C4'-P-C4' energy: -5.370
flat angles P-C4'-P energy: -4.361
tors. eta vs tors. theta energy: -2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -54.026225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.026225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.026225 (E_RNA)
where:
Base-Base interactions energy: -27.047
where: short stacking energy: -20.036
Base-Backbone interact. energy: -0.000
local terms energy: -26.978762
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.602
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -39.703300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.703300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.703300 (E_RNA)
where:
Base-Base interactions energy: -18.329
where: short stacking energy: -18.329
Base-Backbone interact. energy: -0.000
local terms energy: -21.373996
where:
bonds (distance) C4'-P energy: -5.306
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.077
flat angles P-C4'-P energy: -1.512
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -43.613620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.613620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.613620 (E_RNA)
where:
Base-Base interactions energy: -19.256
where: short stacking energy: -19.256
Base-Backbone interact. energy: -0.000
local terms energy: -24.357794
where:
bonds (distance) C4'-P energy: -4.168
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.163
flat angles P-C4'-P energy: -3.717
tors. eta vs tors. theta energy: -4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -52.174132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.174132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.174132 (E_RNA)
where:
Base-Base interactions energy: -28.540
where: short stacking energy: -12.702
Base-Backbone interact. energy: -0.062
local terms energy: -23.572165
where:
bonds (distance) C4'-P energy: -5.394
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -4.477
flat angles P-C4'-P energy: -4.587
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: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -46.706565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.706565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.706565 (E_RNA)
where:
Base-Base interactions energy: -25.818
where: short stacking energy: -12.839
Base-Backbone interact. energy: -2.306
local terms energy: -18.583508
where:
bonds (distance) C4'-P energy: -4.462
bonds (distance) P-C4' energy: -4.663
flat angles C4'-P-C4' energy: -4.878
flat angles P-C4'-P energy: -2.400
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -48.011201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.011201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.011201 (E_RNA)
where:
Base-Base interactions energy: -19.857
where: short stacking energy: -19.857
Base-Backbone interact. energy: -0.000
local terms energy: -28.154018
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.761
flat angles P-C4'-P energy: -3.238
tors. eta vs tors. theta energy: -6.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -34.874472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.874472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.874472 (E_RNA)
where:
Base-Base interactions energy: -11.422
where: short stacking energy: -11.422
Base-Backbone interact. energy: -0.000
local terms energy: -23.452564
where:
bonds (distance) C4'-P energy: -4.036
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -4.810
flat angles P-C4'-P energy: -4.283
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: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -35.030856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.030856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.030856 (E_RNA)
where:
Base-Base interactions energy: -10.478
where: short stacking energy: -10.478
Base-Backbone interact. energy: -0.024
local terms energy: -24.528945
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.153
flat angles C4'-P-C4' energy: -5.885
flat angles P-C4'-P energy: -1.590
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -35.130873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.130873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.130873 (E_RNA)
where:
Base-Base interactions energy: -12.591
where: short stacking energy: -12.591
Base-Backbone interact. energy: -0.001
local terms energy: -22.538927
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -5.026
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -37.041281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.041281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.041281 (E_RNA)
where:
Base-Base interactions energy: -10.993
where: short stacking energy: -10.993
Base-Backbone interact. energy: -0.037
local terms energy: -26.011041
where:
bonds (distance) C4'-P energy: -4.430
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -6.274
flat angles P-C4'-P energy: -4.403
tors. eta vs tors. theta energy: -4.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -47.508719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.508719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.508719 (E_RNA)
where:
Base-Base interactions energy: -19.177
where: short stacking energy: -19.177
Base-Backbone interact. energy: -0.000
local terms energy: -28.332060
where:
bonds (distance) C4'-P energy: -6.362
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.970
flat angles P-C4'-P energy: -4.041
tors. eta vs tors. theta energy: -5.316
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: 4
Temperature: 0.950000
Total energy: -54.133994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.133994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.133994 (E_RNA)
where:
Base-Base interactions energy: -27.622
where: short stacking energy: -20.148
Base-Backbone interact. energy: -0.001
local terms energy: -26.510677
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.168
flat angles P-C4'-P energy: -4.264
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -50.510812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.510812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.510812 (E_RNA)
where:
Base-Base interactions energy: -22.201
where: short stacking energy: -17.796
Base-Backbone interact. energy: -0.000
local terms energy: -28.309416
where:
bonds (distance) C4'-P energy: -6.023
bonds (distance) P-C4' energy: -5.839
flat angles C4'-P-C4' energy: -5.380
flat angles P-C4'-P energy: -3.567
tors. eta vs tors. theta energy: -7.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -48.209439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.209439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.209439 (E_RNA)
where:
Base-Base interactions energy: -21.573
where: short stacking energy: -21.573
Base-Backbone interact. energy: -0.010
local terms energy: -26.627112
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -6.309
flat angles P-C4'-P energy: -4.579
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: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -37.687475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.687475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.687475 (E_RNA)
where:
Base-Base interactions energy: -15.310
where: short stacking energy: -15.310
Base-Backbone interact. energy: -0.000
local terms energy: -22.376790
where:
bonds (distance) C4'-P energy: -1.659
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -5.127
flat angles P-C4'-P energy: -3.093
tors. eta vs tors. theta energy: -6.728
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: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -41.768840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.768840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.768840 (E_RNA)
where:
Base-Base interactions energy: -17.844
where: short stacking energy: -17.844
Base-Backbone interact. energy: -0.000
local terms energy: -23.924387
where:
bonds (distance) C4'-P energy: -5.340
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -6.362
flat angles P-C4'-P energy: -4.191
tors. eta vs tors. theta energy: -1.367
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: 4
Temperature: 1.200000
Total energy: -33.791393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.791393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.791393 (E_RNA)
where:
Base-Base interactions energy: -15.059
where: short stacking energy: -15.059
Base-Backbone interact. energy: -0.000
local terms energy: -18.732228
where:
bonds (distance) C4'-P energy: -2.818
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -5.250
flat angles P-C4'-P energy: -3.279
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: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -39.094822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.094822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.094822 (E_RNA)
where:
Base-Base interactions energy: -16.250
where: short stacking energy: -16.250
Base-Backbone interact. energy: -0.014
local terms energy: -22.830620
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -6.052
flat angles P-C4'-P energy: -3.424
tors. eta vs tors. theta energy: -1.585
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: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -34.931029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.931029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.931029 (E_RNA)
where:
Base-Base interactions energy: -15.949
where: short stacking energy: -15.949
Base-Backbone interact. energy: -0.000
local terms energy: -18.982026
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -6.100
flat angles C4'-P-C4' energy: -5.075
flat angles P-C4'-P energy: -0.517
tors. eta vs tors. theta energy: -2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -36.334411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.334411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.334411 (E_RNA)
where:
Base-Base interactions energy: -14.310
where: short stacking energy: -14.310
Base-Backbone interact. energy: -0.000
local terms energy: -22.023977
where:
bonds (distance) C4'-P energy: -5.891
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -4.986
flat angles P-C4'-P energy: -2.868
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: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -46.878222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.878222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.878222 (E_RNA)
where:
Base-Base interactions energy: -21.179
where: short stacking energy: -21.179
Base-Backbone interact. energy: -0.000
local terms energy: -25.699646
where:
bonds (distance) C4'-P energy: -4.322
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -6.241
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -52.280455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.280455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.280455 (E_RNA)
where:
Base-Base interactions energy: -22.965
where: short stacking energy: -22.965
Base-Backbone interact. energy: -0.000
local terms energy: -29.315670
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -6.002
flat angles P-C4'-P energy: -3.995
tors. eta vs tors. theta energy: -7.661
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: 5
Temperature: 1.000000
Total energy: -41.124737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.124737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.124737 (E_RNA)
where:
Base-Base interactions energy: -15.713
where: short stacking energy: -15.713
Base-Backbone interact. energy: -0.001
local terms energy: -25.410312
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -4.212
flat angles P-C4'-P energy: -4.214
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: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -44.929577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.929577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.929577 (E_RNA)
where:
Base-Base interactions energy: -19.766
where: short stacking energy: -19.766
Base-Backbone interact. energy: -0.000
local terms energy: -25.163742
where:
bonds (distance) C4'-P energy: -5.306
bonds (distance) P-C4' energy: -6.118
flat angles C4'-P-C4' energy: -6.235
flat angles P-C4'-P energy: -1.736
tors. eta vs tors. theta energy: -5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -45.619374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.619374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.619374 (E_RNA)
where:
Base-Base interactions energy: -20.382
where: short stacking energy: -20.382
Base-Backbone interact. energy: -0.000
local terms energy: -25.237714
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -6.007
flat angles P-C4'-P energy: -3.588
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: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -39.665303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.665303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.665303 (E_RNA)
where:
Base-Base interactions energy: -13.254
where: short stacking energy: -13.254
Base-Backbone interact. energy: -0.104
local terms energy: -26.307480
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.514
flat angles P-C4'-P energy: -4.524
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: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -42.356675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.356675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.356675 (E_RNA)
where:
Base-Base interactions energy: -18.473
where: short stacking energy: -18.473
Base-Backbone interact. energy: -0.063
local terms energy: -23.820312
where:
bonds (distance) C4'-P energy: -5.277
bonds (distance) P-C4' energy: -4.963
flat angles C4'-P-C4' energy: -5.978
flat angles P-C4'-P energy: -4.540
tors. eta vs tors. theta energy: -3.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -34.161952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.161952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.161952 (E_RNA)
where:
Base-Base interactions energy: -13.218
where: short stacking energy: -13.218
Base-Backbone interact. energy: -0.000
local terms energy: -20.943121
where:
bonds (distance) C4'-P energy: -5.543
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -5.262
flat angles P-C4'-P energy: -2.699
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: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -31.812649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.812649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.812649 (E_RNA)
where:
Base-Base interactions energy: -11.351
where: short stacking energy: -11.351
Base-Backbone interact. energy: -0.000
local terms energy: -20.460974
where:
bonds (distance) C4'-P energy: -4.300
bonds (distance) P-C4' energy: -4.920
flat angles C4'-P-C4' energy: -6.220
flat angles P-C4'-P energy: -2.127
tors. eta vs tors. theta energy: -2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -32.186693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.186693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.186693 (E_RNA)
where:
Base-Base interactions energy: -12.059
where: short stacking energy: -12.059
Base-Backbone interact. energy: -0.001
local terms energy: -20.126730
where:
bonds (distance) C4'-P energy: -4.719
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -6.434
flat angles P-C4'-P energy: -2.671
tors. eta vs tors. theta energy: -0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -50.368269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.368269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.368269 (E_RNA)
where:
Base-Base interactions energy: -21.186
where: short stacking energy: -21.186
Base-Backbone interact. energy: -0.000
local terms energy: -29.182160
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -6.015
flat angles P-C4'-P energy: -3.876
tors. eta vs tors. theta energy: -7.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -48.457265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.457265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.457265 (E_RNA)
where:
Base-Base interactions energy: -21.839
where: short stacking energy: -21.839
Base-Backbone interact. energy: -0.000
local terms energy: -26.618598
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -5.240
flat angles C4'-P-C4' energy: -6.288
flat angles P-C4'-P energy: -3.546
tors. eta vs tors. theta energy: -5.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -41.779432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.779432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.779432 (E_RNA)
where:
Base-Base interactions energy: -22.617
where: short stacking energy: -8.398
Base-Backbone interact. energy: -0.013
local terms energy: -19.148994
where:
bonds (distance) C4'-P energy: -5.225
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.020
flat angles P-C4'-P energy: -3.427
tors. eta vs tors. theta energy: 0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -42.397753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.397753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.397753 (E_RNA)
where:
Base-Base interactions energy: -16.656
where: short stacking energy: -16.656
Base-Backbone interact. energy: -0.000
local terms energy: -25.742049
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.839
flat angles C4'-P-C4' energy: -5.378
flat angles P-C4'-P energy: -3.718
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: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -44.805886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.805886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.805886 (E_RNA)
where:
Base-Base interactions energy: -18.715
where: short stacking energy: -18.715
Base-Backbone interact. energy: -0.000
local terms energy: -26.090462
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -4.429
flat angles P-C4'-P energy: -4.528
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -39.265446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.265446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.265446 (E_RNA)
where:
Base-Base interactions energy: -18.328
where: short stacking energy: -18.328
Base-Backbone interact. energy: -0.001
local terms energy: -20.936237
where:
bonds (distance) C4'-P energy: -3.088
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -6.370
flat angles P-C4'-P energy: -3.126
tors. eta vs tors. theta energy: -1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -40.036091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.036091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.036091 (E_RNA)
where:
Base-Base interactions energy: -20.899
where: short stacking energy: -15.843
Base-Backbone interact. energy: -0.225
local terms energy: -18.912584
where:
bonds (distance) C4'-P energy: -3.804
bonds (distance) P-C4' energy: -4.824
flat angles C4'-P-C4' energy: -4.362
flat angles P-C4'-P energy: -3.802
tors. eta vs tors. theta energy: -2.120
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: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -40.331150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.331150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.331150 (E_RNA)
where:
Base-Base interactions energy: -15.425
where: short stacking energy: -15.425
Base-Backbone interact. energy: -0.000
local terms energy: -24.906249
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -4.760
flat angles P-C4'-P energy: -3.018
tors. eta vs tors. theta energy: -5.663
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: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -34.282906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.282906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.282906 (E_RNA)
where:
Base-Base interactions energy: -9.031
where: short stacking energy: -9.031
Base-Backbone interact. energy: -0.000
local terms energy: -25.251153
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -6.854
flat angles P-C4'-P energy: -5.183
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: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -29.556722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.556722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.556722 (E_RNA)
where:
Base-Base interactions energy: -9.158
where: short stacking energy: -9.158
Base-Backbone interact. energy: -0.289
local terms energy: -20.109414
where:
bonds (distance) C4'-P energy: -4.115
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -4.808
flat angles P-C4'-P energy: -4.204
tors. eta vs tors. theta energy: -0.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -53.991273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.991273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.991273 (E_RNA)
where:
Base-Base interactions energy: -23.496
where: short stacking energy: -23.496
Base-Backbone interact. energy: -0.000
local terms energy: -30.495509
where:
bonds (distance) C4'-P energy: -6.470
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -6.486
flat angles P-C4'-P energy: -3.399
tors. eta vs tors. theta energy: -7.924
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: 7
Temperature: 0.950000
Total energy: -48.681052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.681052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.681052 (E_RNA)
where:
Base-Base interactions energy: -22.417
where: short stacking energy: -22.417
Base-Backbone interact. energy: -0.000
local terms energy: -26.264442
where:
bonds (distance) C4'-P energy: -4.639
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -4.522
flat angles P-C4'-P energy: -3.866
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: 3, replica: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -39.981533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.981533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.981533 (E_RNA)
where:
Base-Base interactions energy: -17.268
where: short stacking energy: -17.268
Base-Backbone interact. energy: -0.000
local terms energy: -22.712934
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.620
flat angles P-C4'-P energy: -2.834
tors. eta vs tors. theta energy: -2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -38.802119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.802119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.802119 (E_RNA)
where:
Base-Base interactions energy: -17.103
where: short stacking energy: -17.103
Base-Backbone interact. energy: -0.005
local terms energy: -21.694013
where:
bonds (distance) C4'-P energy: -4.339
bonds (distance) P-C4' energy: -6.125
flat angles C4'-P-C4' energy: -6.342
flat angles P-C4'-P energy: -1.382
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: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -40.021974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.021974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.021974 (E_RNA)
where:
Base-Base interactions energy: -17.576
where: short stacking energy: -17.576
Base-Backbone interact. energy: -0.011
local terms energy: -22.435052
where:
bonds (distance) C4'-P energy: -2.545
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -3.994
flat angles P-C4'-P energy: -5.592
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: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -37.974251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.974251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.974251 (E_RNA)
where:
Base-Base interactions energy: -15.000
where: short stacking energy: -15.000
Base-Backbone interact. energy: -0.005
local terms energy: -22.969087
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.733
flat angles P-C4'-P energy: -2.695
tors. eta vs tors. theta energy: -2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -38.044704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.044704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.044704 (E_RNA)
where:
Base-Base interactions energy: -16.714
where: short stacking energy: -16.714
Base-Backbone interact. energy: -0.421
local terms energy: -20.909595
where:
bonds (distance) C4'-P energy: -3.150
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -3.925
flat angles P-C4'-P energy: -4.234
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -34.420277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.420277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.420277 (E_RNA)
where:
Base-Base interactions energy: -13.772
where: short stacking energy: -13.772
Base-Backbone interact. energy: -0.007
local terms energy: -20.640793
where:
bonds (distance) C4'-P energy: -2.910
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -3.539
flat angles P-C4'-P energy: -4.264
tors. eta vs tors. theta energy: -3.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -33.010083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.010083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.010083 (E_RNA)
where:
Base-Base interactions energy: -11.613
where: short stacking energy: -10.066
Base-Backbone interact. energy: -0.000
local terms energy: -21.396508
where:
bonds (distance) C4'-P energy: -3.258
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.425
flat angles P-C4'-P energy: -2.155
tors. eta vs tors. theta energy: -4.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -36.425629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.425629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.425629 (E_RNA)
where:
Base-Base interactions energy: -15.950
where: short stacking energy: -15.950
Base-Backbone interact. energy: -0.000
local terms energy: -20.476025
where:
bonds (distance) C4'-P energy: -2.525
bonds (distance) P-C4' energy: -5.143
flat angles C4'-P-C4' energy: -6.186
flat angles P-C4'-P energy: -4.829
tors. eta vs tors. theta energy: -1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -41.868170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.868170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.868170 (E_RNA)
where:
Base-Base interactions energy: -15.164
where: short stacking energy: -15.164
Base-Backbone interact. energy: -0.048
local terms energy: -26.655895
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.888
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -5.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -52.904227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.904227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.904227 (E_RNA)
where:
Base-Base interactions energy: -24.201
where: short stacking energy: -24.201
Base-Backbone interact. energy: -0.000
local terms energy: -28.703608
where:
bonds (distance) C4'-P energy: -3.841
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -6.408
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -8.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -50.067649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.067649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.067649 (E_RNA)
where:
Base-Base interactions energy: -31.630
where: short stacking energy: -9.320
Base-Backbone interact. energy: -0.200
local terms energy: -18.237854
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -4.855
flat angles P-C4'-P energy: -3.419
tors. eta vs tors. theta energy: 2.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -40.064179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.064179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.064179 (E_RNA)
where:
Base-Base interactions energy: -16.280
where: short stacking energy: -16.280
Base-Backbone interact. energy: -0.000
local terms energy: -23.784184
where:
bonds (distance) C4'-P energy: -4.755
bonds (distance) P-C4' energy: -5.656
flat angles C4'-P-C4' energy: -5.323
flat angles P-C4'-P energy: -4.856
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: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -45.858430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.858430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.858430 (E_RNA)
where:
Base-Base interactions energy: -17.756
where: short stacking energy: -17.756
Base-Backbone interact. energy: -0.000
local terms energy: -28.101927
where:
bonds (distance) C4'-P energy: -5.207
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -6.032
flat angles P-C4'-P energy: -5.390
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: 6, replica: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -41.093403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.093403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.093403 (E_RNA)
where:
Base-Base interactions energy: -16.140
where: short stacking energy: -16.140
Base-Backbone interact. energy: -0.001
local terms energy: -24.951998
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -5.699
flat angles C4'-P-C4' energy: -5.009
flat angles P-C4'-P energy: -3.074
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -39.677600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.677600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.677600 (E_RNA)
where:
Base-Base interactions energy: -14.229
where: short stacking energy: -14.229
Base-Backbone interact. energy: -0.003
local terms energy: -25.445173
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.249
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: -3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -36.044705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.044705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.044705 (E_RNA)
where:
Base-Base interactions energy: -12.842
where: short stacking energy: -11.138
Base-Backbone interact. energy: -0.072
local terms energy: -23.131319
where:
bonds (distance) C4'-P energy: -5.589
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.655
flat angles P-C4'-P energy: -2.941
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -29.713136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.713136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.713136 (E_RNA)
where:
Base-Base interactions energy: -15.901
where: short stacking energy: -13.661
Base-Backbone interact. energy: -0.010
local terms energy: -13.802674
where:
bonds (distance) C4'-P energy: -4.619
bonds (distance) P-C4' energy: -2.138
flat angles C4'-P-C4' energy: -5.079
flat angles P-C4'-P energy: -1.364
tors. eta vs tors. theta energy: -0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -35.505170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.505170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.505170 (E_RNA)
where:
Base-Base interactions energy: -16.938
where: short stacking energy: -16.938
Base-Backbone interact. energy: -0.000
local terms energy: -18.566783
where:
bonds (distance) C4'-P energy: -4.184
bonds (distance) P-C4' energy: -5.196
flat angles C4'-P-C4' energy: -4.207
flat angles P-C4'-P energy: -2.445
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -46.497557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.497557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.497557 (E_RNA)
where:
Base-Base interactions energy: -20.656
where: short stacking energy: -20.656
Base-Backbone interact. energy: -0.000
local terms energy: -25.841183
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.146
flat angles P-C4'-P energy: -3.383
tors. eta vs tors. theta energy: -3.830
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: 9
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -54.145768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.145768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.145768 (E_RNA)
where:
Base-Base interactions energy: -33.152
where: short stacking energy: -16.348
Base-Backbone interact. energy: -0.103
local terms energy: -20.890963
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -5.233
flat angles C4'-P-C4' energy: -6.323
flat angles P-C4'-P energy: -1.476
tors. eta vs tors. theta energy: -1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -48.480967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.480967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.480967 (E_RNA)
where:
Base-Base interactions energy: -21.257
where: short stacking energy: -21.257
Base-Backbone interact. energy: -0.000
local terms energy: -27.223561
where:
bonds (distance) C4'-P energy: -4.880
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -6.382
flat angles P-C4'-P energy: -4.687
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: 4, replica: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -42.379121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.379121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.379121 (E_RNA)
where:
Base-Base interactions energy: -16.361
where: short stacking energy: -16.361
Base-Backbone interact. energy: -0.000
local terms energy: -26.018238
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -7.147
flat angles C4'-P-C4' energy: -5.834
flat angles P-C4'-P energy: -3.180
tors. eta vs tors. theta energy: -4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -47.853635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.853635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.853635 (E_RNA)
where:
Base-Base interactions energy: -24.172
where: short stacking energy: -17.837
Base-Backbone interact. energy: -0.004
local terms energy: -23.678157
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -4.248
flat angles P-C4'-P energy: -3.568
tors. eta vs tors. theta energy: -3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -43.367750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.367750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.367750 (E_RNA)
where:
Base-Base interactions energy: -20.170
where: short stacking energy: -11.008
Base-Backbone interact. energy: -0.076
local terms energy: -23.122385
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.636
flat angles P-C4'-P energy: -5.066
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: 7, replica: 1
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -36.093783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.093783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.093783 (E_RNA)
where:
Base-Base interactions energy: -15.262
where: short stacking energy: -15.262
Base-Backbone interact. energy: -0.000
local terms energy: -20.831842
where:
bonds (distance) C4'-P energy: -4.731
bonds (distance) P-C4' energy: -5.371
flat angles C4'-P-C4' energy: -4.804
flat angles P-C4'-P energy: -1.629
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -36.308780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.308780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.308780 (E_RNA)
where:
Base-Base interactions energy: -14.250
where: short stacking energy: -14.250
Base-Backbone interact. energy: -0.002
local terms energy: -22.056778
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -6.010
flat angles P-C4'-P energy: -1.384
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -35.491430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.491430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.491430 (E_RNA)
where:
Base-Base interactions energy: -17.201
where: short stacking energy: -17.201
Base-Backbone interact. energy: -0.000
local terms energy: -18.290814
where:
bonds (distance) C4'-P energy: -1.096
bonds (distance) P-C4' energy: -4.917
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -3.419
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -40.579705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.579705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.579705 (E_RNA)
where:
Base-Base interactions energy: -15.375
where: short stacking energy: -15.375
Base-Backbone interact. energy: -0.000
local terms energy: -25.204949
where:
bonds (distance) C4'-P energy: -6.147
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.281
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -54.780682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.780682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.780682 (E_RNA)
where:
Base-Base interactions energy: -25.185
where: short stacking energy: -25.185
Base-Backbone interact. energy: -0.000
local terms energy: -29.595872
where:
bonds (distance) C4'-P energy: -4.160
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.423
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -8.045
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: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -46.724739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.724739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.724739 (E_RNA)
where:
Base-Base interactions energy: -21.681
where: short stacking energy: -21.681
Base-Backbone interact. energy: -0.000
local terms energy: -25.043359
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -5.606
flat angles P-C4'-P energy: -3.125
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: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -42.020449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.020449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.020449 (E_RNA)
where:
Base-Base interactions energy: -17.001
where: short stacking energy: -17.001
Base-Backbone interact. energy: -0.001
local terms energy: -25.018374
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -4.651
flat angles P-C4'-P energy: -4.798
tors. eta vs tors. theta energy: -4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -46.716649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.716649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.716649 (E_RNA)
where:
Base-Base interactions energy: -21.134
where: short stacking energy: -21.134
Base-Backbone interact. energy: -0.000
local terms energy: -25.582909
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -5.671
flat angles C4'-P-C4' energy: -3.838
flat angles P-C4'-P energy: -4.842
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: 5, replica: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -43.378126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.378126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.378126 (E_RNA)
where:
Base-Base interactions energy: -20.804
where: short stacking energy: -20.804
Base-Backbone interact. energy: -0.001
local terms energy: -22.573309
where:
bonds (distance) C4'-P energy: -3.481
bonds (distance) P-C4' energy: -4.414
flat angles C4'-P-C4' energy: -2.637
flat angles P-C4'-P energy: -4.926
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: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -38.154943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.154943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.154943 (E_RNA)
where:
Base-Base interactions energy: -17.869
where: short stacking energy: -17.869
Base-Backbone interact. energy: -0.000
local terms energy: -20.285886
where:
bonds (distance) C4'-P energy: -5.365
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -4.334
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -2.789
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: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -31.170170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.170170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.170170 (E_RNA)
where:
Base-Base interactions energy: -9.625
where: short stacking energy: -9.625
Base-Backbone interact. energy: -0.004
local terms energy: -21.541758
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.139
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -1.107
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: 8, replica: 1
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -35.288841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.288841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.288841 (E_RNA)
where:
Base-Base interactions energy: -11.644
where: short stacking energy: -11.644
Base-Backbone interact. energy: -0.000
local terms energy: -23.644738
where:
bonds (distance) C4'-P energy: -5.650
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -5.407
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: -1.586
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: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -32.663581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.663581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.663581 (E_RNA)
where:
Base-Base interactions energy: -14.418
where: short stacking energy: -11.217
Base-Backbone interact. energy: -0.001
local terms energy: -18.243934
where:
bonds (distance) C4'-P energy: -3.874
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.607
flat angles P-C4'-P energy: -0.554
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -32.736337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.736337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.736337 (E_RNA)
where:
Base-Base interactions energy: -15.630
where: short stacking energy: -5.442
Base-Backbone interact. energy: -0.037
local terms energy: -17.069126
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -2.181
flat angles C4'-P-C4' energy: -3.914
flat angles P-C4'-P energy: -4.566
tors. eta vs tors. theta energy: -0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -48.525766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.525766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.525766 (E_RNA)
where:
Base-Base interactions energy: -24.203
where: short stacking energy: -24.203
Base-Backbone interact. energy: -0.000
local terms energy: -24.322573
where:
bonds (distance) C4'-P energy: -4.694
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.695
flat angles P-C4'-P energy: -0.895
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -48.055087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.055087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.055087 (E_RNA)
where:
Base-Base interactions energy: -21.341
where: short stacking energy: -21.341
Base-Backbone interact. energy: -0.000
local terms energy: -26.714329
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.755
flat angles C4'-P-C4' energy: -5.094
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -54.706075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.706075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.706075 (E_RNA)
where:
Base-Base interactions energy: -33.501
where: short stacking energy: -18.983
Base-Backbone interact. energy: -0.007
local terms energy: -21.198355
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -4.343
flat angles P-C4'-P energy: -3.344
tors. eta vs tors. theta energy: -2.346
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: 8
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -49.304409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.304409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.304409 (E_RNA)
where:
Base-Base interactions energy: -21.805
where: short stacking energy: -21.805
Base-Backbone interact. energy: -0.000
local terms energy: -27.499478
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -6.005
flat angles P-C4'-P energy: -3.869
tors. eta vs tors. theta energy: -5.934
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: 10
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -39.519438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.519438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.519438 (E_RNA)
where:
Base-Base interactions energy: -17.211
where: short stacking energy: -17.211
Base-Backbone interact. energy: -0.000
local terms energy: -22.308589
where:
bonds (distance) C4'-P energy: -4.921
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -4.239
flat angles P-C4'-P energy: -3.568
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: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -42.134957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.134957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.134957 (E_RNA)
where:
Base-Base interactions energy: -17.738
where: short stacking energy: -17.738
Base-Backbone interact. energy: -0.000
local terms energy: -24.396747
where:
bonds (distance) C4'-P energy: -4.392
bonds (distance) P-C4' energy: -5.889
flat angles C4'-P-C4' energy: -5.731
flat angles P-C4'-P energy: -1.142
tors. eta vs tors. theta energy: -7.242
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: 11
Temperature: 1.200000
Total energy: -37.805764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.805764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.805764 (E_RNA)
where:
Base-Base interactions energy: -14.381
where: short stacking energy: -14.381
Base-Backbone interact. energy: -0.003
local terms energy: -23.421411
where:
bonds (distance) C4'-P energy: -5.109
bonds (distance) P-C4' energy: -5.773
flat angles C4'-P-C4' energy: -5.989
flat angles P-C4'-P energy: -3.156
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: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -37.435858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.435858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.435858 (E_RNA)
where:
Base-Base interactions energy: -16.726
where: short stacking energy: -16.726
Base-Backbone interact. energy: -0.036
local terms energy: -20.674071
where:
bonds (distance) C4'-P energy: -4.983
bonds (distance) P-C4' energy: -1.874
flat angles C4'-P-C4' energy: -4.504
flat angles P-C4'-P energy: -3.622
tors. eta vs tors. theta energy: -5.691
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: 11
Temperature: 1.300000
Total energy: -31.878746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.878746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.878746 (E_RNA)
where:
Base-Base interactions energy: -14.576
where: short stacking energy: -14.576
Base-Backbone interact. energy: -0.005
local terms energy: -17.297778
where:
bonds (distance) C4'-P energy: -1.836
bonds (distance) P-C4' energy: -4.428
flat angles C4'-P-C4' energy: -6.186
flat angles P-C4'-P energy: -2.542
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -30.496715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.496715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.496715 (E_RNA)
where:
Base-Base interactions energy: -12.022
where: short stacking energy: -12.022
Base-Backbone interact. energy: -0.046
local terms energy: -18.429138
where:
bonds (distance) C4'-P energy: -3.751
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.250
flat angles P-C4'-P energy: -2.169
tors. eta vs tors. theta energy: -0.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -45.865233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.865233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.865233 (E_RNA)
where:
Base-Base interactions energy: -20.746
where: short stacking energy: -20.746
Base-Backbone interact. energy: -0.000
local terms energy: -25.118850
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -3.307
flat angles P-C4'-P energy: -4.213
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: 2, replica: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -40.072749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.072749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.072749 (E_RNA)
where:
Base-Base interactions energy: -15.326
where: short stacking energy: -15.326
Base-Backbone interact. energy: -0.009
local terms energy: -24.738000
where:
bonds (distance) C4'-P energy: -6.470
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.794
flat angles P-C4'-P energy: -4.011
tors. eta vs tors. theta energy: -2.243
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: 3, replica: 8
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -40.550280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.550280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.550280 (E_RNA)
where:
Base-Base interactions energy: -20.481
where: short stacking energy: -20.481
Base-Backbone interact. energy: -0.001
local terms energy: -20.068072
where:
bonds (distance) C4'-P energy: -3.601
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -3.670
flat angles P-C4'-P energy: -4.231
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: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -41.011179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.011179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.011179 (E_RNA)
where:
Base-Base interactions energy: -24.500
where: short stacking energy: -11.513
Base-Backbone interact. energy: -0.008
local terms energy: -16.502981
where:
bonds (distance) C4'-P energy: -3.890
bonds (distance) P-C4' energy: -4.371
flat angles C4'-P-C4' energy: -5.065
flat angles P-C4'-P energy: -3.907
tors. eta vs tors. theta energy: 0.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -41.596536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.596536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.596536 (E_RNA)
where:
Base-Base interactions energy: -17.278
where: short stacking energy: -17.278
Base-Backbone interact. energy: -0.000
local terms energy: -24.318239
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.442
flat angles C4'-P-C4' energy: -3.510
flat angles P-C4'-P energy: -4.009
tors. eta vs tors. theta energy: -4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -37.302060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.302060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.302060 (E_RNA)
where:
Base-Base interactions energy: -13.411
where: short stacking energy: -13.411
Base-Backbone interact. energy: -0.013
local terms energy: -23.878846
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -4.063
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -45.548742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.548742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.548742 (E_RNA)
where:
Base-Base interactions energy: -20.221
where: short stacking energy: -20.221
Base-Backbone interact. energy: -0.000
local terms energy: -25.327684
where:
bonds (distance) C4'-P energy: -4.639
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.014
flat angles P-C4'-P energy: -4.382
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -35.976306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.976306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.976306 (E_RNA)
where:
Base-Base interactions energy: -19.432
where: short stacking energy: -19.400
Base-Backbone interact. energy: -0.000
local terms energy: -16.544219
where:
bonds (distance) C4'-P energy: 0.402
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -4.397
flat angles P-C4'-P energy: -2.961
tors. eta vs tors. theta energy: -4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -34.019009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.019009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.019009 (E_RNA)
where:
Base-Base interactions energy: -12.232
where: short stacking energy: -12.232
Base-Backbone interact. energy: -0.000
local terms energy: -21.786415
where:
bonds (distance) C4'-P energy: -5.510
bonds (distance) P-C4' energy: -3.585
flat angles C4'-P-C4' energy: -5.128
flat angles P-C4'-P energy: -4.177
tors. eta vs tors. theta energy: -3.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -34.686623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.686623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.686623 (E_RNA)
where:
Base-Base interactions energy: -13.452
where: short stacking energy: -13.452
Base-Backbone interact. energy: -0.027
local terms energy: -21.208287
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.864
flat angles C4'-P-C4' energy: -2.181
flat angles P-C4'-P energy: -4.014
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: 1, replica: 9
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -55.198895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.198895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.198895 (E_RNA)
where:
Base-Base interactions energy: -26.662
where: short stacking energy: -26.662
Base-Backbone interact. energy: -0.000
local terms energy: -28.536928
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -3.905
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -7.710
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: 2, replica: 8
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -49.872748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.872748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.872748 (E_RNA)
where:
Base-Base interactions energy: -22.164
where: short stacking energy: -18.301
Base-Backbone interact. energy: -2.898
local terms energy: -24.811120
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.911
flat angles P-C4'-P energy: -3.047
tors. eta vs tors. theta energy: -4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -37.172221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.172221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.172221 (E_RNA)
where:
Base-Base interactions energy: -15.260
where: short stacking energy: -15.260
Base-Backbone interact. energy: -0.042
local terms energy: -21.870479
where:
bonds (distance) C4'-P energy: -4.549
bonds (distance) P-C4' energy: -5.886
flat angles C4'-P-C4' energy: -5.410
flat angles P-C4'-P energy: -2.226
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -39.312410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.312410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.312410 (E_RNA)
where:
Base-Base interactions energy: -18.341
where: short stacking energy: -18.341
Base-Backbone interact. energy: 0.391
local terms energy: -21.362716
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -3.825
flat angles P-C4'-P energy: -1.079
tors. eta vs tors. theta energy: -4.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -36.509395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.509395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.509395 (E_RNA)
where:
Base-Base interactions energy: -16.209
where: short stacking energy: -16.209
Base-Backbone interact. energy: -0.000
local terms energy: -20.299783
where:
bonds (distance) C4'-P energy: -5.277
bonds (distance) P-C4' energy: -4.847
flat angles C4'-P-C4' energy: -6.484
flat angles P-C4'-P energy: -2.891
tors. eta vs tors. theta energy: -0.800
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: 13
Temperature: 1.150000
Total energy: -32.928088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.928088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.928088 (E_RNA)
where:
Base-Base interactions energy: -10.725
where: short stacking energy: -6.613
Base-Backbone interact. energy: -0.122
local terms energy: -22.080970
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -4.884
flat angles P-C4'-P energy: -4.842
tors. eta vs tors. theta energy: 0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -33.566508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.566508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.566508 (E_RNA)
where:
Base-Base interactions energy: -15.487
where: short stacking energy: -11.007
Base-Backbone interact. energy: -0.076
local terms energy: -18.003353
where:
bonds (distance) C4'-P energy: -4.126
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -5.810
flat angles P-C4'-P energy: -1.578
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: 8, replica: 2
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -38.154924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.154924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.154924 (E_RNA)
where:
Base-Base interactions energy: -22.610
where: short stacking energy: -13.704
Base-Backbone interact. energy: -0.011
local terms energy: -15.533518
where:
bonds (distance) C4'-P energy: -2.781
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -1.242
flat angles P-C4'-P energy: -3.072
tors. eta vs tors. theta energy: -1.982
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: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -34.985912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.985912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.985912 (E_RNA)
where:
Base-Base interactions energy: -16.727
where: short stacking energy: -16.727
Base-Backbone interact. energy: -0.045
local terms energy: -18.213981
where:
bonds (distance) C4'-P energy: -1.702
bonds (distance) P-C4' energy: -5.371
flat angles C4'-P-C4' energy: -5.512
flat angles P-C4'-P energy: -3.393
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: 10, replica: 1
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -31.965528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.965528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.965528 (E_RNA)
where:
Base-Base interactions energy: -8.279
where: short stacking energy: -8.279
Base-Backbone interact. energy: -0.025
local terms energy: -23.661556
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.467
flat angles P-C4'-P energy: -3.388
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -50.631177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.631177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.631177 (E_RNA)
where:
Base-Base interactions energy: -26.320
where: short stacking energy: -18.418
Base-Backbone interact. energy: -2.910
local terms energy: -21.400782
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.811
flat angles P-C4'-P energy: 1.588
tors. eta vs tors. theta energy: -4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -49.507412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.507412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.507412 (E_RNA)
where:
Base-Base interactions energy: -21.391
where: short stacking energy: -21.391
Base-Backbone interact. energy: -0.000
local terms energy: -28.116123
where:
bonds (distance) C4'-P energy: -5.287
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.910
flat angles P-C4'-P energy: -4.389
tors. eta vs tors. theta energy: -6.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -42.271890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.271890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.271890 (E_RNA)
where:
Base-Base interactions energy: -20.307
where: short stacking energy: -20.307
Base-Backbone interact. energy: -0.001
local terms energy: -21.963479
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -5.085
flat angles C4'-P-C4' energy: -4.800
flat angles P-C4'-P energy: -3.246
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: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -44.952265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.952265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.952265 (E_RNA)
where:
Base-Base interactions energy: -22.535
where: short stacking energy: -22.535
Base-Backbone interact. energy: -0.000
local terms energy: -22.416888
where:
bonds (distance) C4'-P energy: -3.192
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -4.756
flat angles P-C4'-P energy: -3.877
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: 5, replica: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -37.084810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.084810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.084810 (E_RNA)
where:
Base-Base interactions energy: -13.040
where: short stacking energy: -13.040
Base-Backbone interact. energy: -0.037
local terms energy: -24.007276
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.339
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -41.857564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.857564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.857564 (E_RNA)
where:
Base-Base interactions energy: -15.727
where: short stacking energy: -15.727
Base-Backbone interact. energy: -0.000
local terms energy: -26.130325
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -5.942
flat angles C4'-P-C4' energy: -6.434
flat angles P-C4'-P energy: -3.583
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: 7, replica: 2
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -41.417273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.417273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.417273 (E_RNA)
where:
Base-Base interactions energy: -17.869
where: short stacking energy: -17.869
Base-Backbone interact. energy: -0.000
local terms energy: -23.548491
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -5.606
flat angles C4'-P-C4' energy: -3.820
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -32.889700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.889700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.889700 (E_RNA)
where:
Base-Base interactions energy: -13.512
where: short stacking energy: -9.230
Base-Backbone interact. energy: -1.028
local terms energy: -18.349918
where:
bonds (distance) C4'-P energy: -2.215
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -6.273
flat angles P-C4'-P energy: -3.667
tors. eta vs tors. theta energy: -0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -35.112257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.112257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.112257 (E_RNA)
where:
Base-Base interactions energy: -11.476
where: short stacking energy: -11.476
Base-Backbone interact. energy: -0.000
local terms energy: -23.636221
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -6.247
flat angles P-C4'-P energy: -3.175
tors. eta vs tors. theta energy: -1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -31.169585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.169585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.169585 (E_RNA)
where:
Base-Base interactions energy: -8.632
where: short stacking energy: -8.632
Base-Backbone interact. energy: -0.002
local terms energy: -22.535299
where:
bonds (distance) C4'-P energy: -4.516
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -4.688
flat angles P-C4'-P energy: -5.017
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: 1, replica: 8
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -47.477609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.477609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.477609 (E_RNA)
where:
Base-Base interactions energy: -22.575
where: short stacking energy: -15.294
Base-Backbone interact. energy: -0.758
local terms energy: -24.144740
where:
bonds (distance) C4'-P energy: -4.810
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.245
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -1.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -43.252868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.252868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.252868 (E_RNA)
where:
Base-Base interactions energy: -17.271
where: short stacking energy: -16.560
Base-Backbone interact. energy: -0.033
local terms energy: -25.949060
where:
bonds (distance) C4'-P energy: -6.098
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -4.931
flat angles P-C4'-P energy: -3.438
tors. eta vs tors. theta energy: -4.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -50.342418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.342418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.342418 (E_RNA)
where:
Base-Base interactions energy: -22.748
where: short stacking energy: -22.748
Base-Backbone interact. energy: -0.000
local terms energy: -27.593938
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -5.622
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: -5.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -35.026215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.026215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.026215 (E_RNA)
where:
Base-Base interactions energy: -17.109
where: short stacking energy: -12.399
Base-Backbone interact. energy: -0.097
local terms energy: -17.820621
where:
bonds (distance) C4'-P energy: -2.632
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -3.824
flat angles P-C4'-P energy: -2.484
tors. eta vs tors. theta energy: -3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -42.052160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.052160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.052160 (E_RNA)
where:
Base-Base interactions energy: -17.252
where: short stacking energy: -7.965
Base-Backbone interact. energy: -0.010
local terms energy: -24.790530
where:
bonds (distance) C4'-P energy: -6.147
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.124
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -30.489675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.489675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.489675 (E_RNA)
where:
Base-Base interactions energy: -9.616
where: short stacking energy: -9.616
Base-Backbone interact. energy: -0.003
local terms energy: -20.870484
where:
bonds (distance) C4'-P energy: -5.225
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.353
flat angles P-C4'-P energy: -4.225
tors. eta vs tors. theta energy: -2.179
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: 3
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -37.414593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.414593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.414593 (E_RNA)
where:
Base-Base interactions energy: -14.051
where: short stacking energy: -14.051
Base-Backbone interact. energy: -0.028
local terms energy: -23.335650
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -3.882
flat angles P-C4'-P energy: -4.446
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: 8, replica: 1
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -37.738476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.738476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.738476 (E_RNA)
where:
Base-Base interactions energy: -16.181
where: short stacking energy: -16.181
Base-Backbone interact. energy: -0.012
local terms energy: -21.545876
where:
bonds (distance) C4'-P energy: -4.917
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -5.130
flat angles P-C4'-P energy: -3.110
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: 15
Temperature: 1.300000
Total energy: -31.443797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.443797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.443797 (E_RNA)
where:
Base-Base interactions energy: -11.138
where: short stacking energy: -11.138
Base-Backbone interact. energy: -0.052
local terms energy: -20.253852
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -5.080
flat angles C4'-P-C4' energy: -5.829
flat angles P-C4'-P energy: -2.685
tors. eta vs tors. theta energy: -1.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -38.173027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.173027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.173027 (E_RNA)
where:
Base-Base interactions energy: -19.425
where: short stacking energy: -13.524
Base-Backbone interact. energy: -0.053
local terms energy: -18.694670
where:
bonds (distance) C4'-P energy: -4.337
bonds (distance) P-C4' energy: -4.005
flat angles C4'-P-C4' energy: -5.384
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: 0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -52.021277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.021277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.021277 (E_RNA)
where:
Base-Base interactions energy: -24.623
where: short stacking energy: -24.623
Base-Backbone interact. energy: -0.000
local terms energy: -27.398140
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.387
flat angles P-C4'-P energy: -3.254
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -49.474812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.474812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.474812 (E_RNA)
where:
Base-Base interactions energy: -19.430
where: short stacking energy: -19.430
Base-Backbone interact. energy: -0.000
local terms energy: -30.044620
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -6.465
flat angles P-C4'-P energy: -4.896
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: 3, replica: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -43.356604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.356604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.356604 (E_RNA)
where:
Base-Base interactions energy: -18.481
where: short stacking energy: -18.481
Base-Backbone interact. energy: -0.000
local terms energy: -24.875167
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -5.043
flat angles C4'-P-C4' energy: -5.359
flat angles P-C4'-P energy: -3.449
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: 4, replica: 9
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -45.969603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.969603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.969603 (E_RNA)
where:
Base-Base interactions energy: -21.397
where: short stacking energy: -21.397
Base-Backbone interact. energy: -0.000
local terms energy: -24.572652
where:
bonds (distance) C4'-P energy: -4.756
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -5.599
flat angles P-C4'-P energy: -2.814
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -40.132076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.132076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.132076 (E_RNA)
where:
Base-Base interactions energy: -15.656
where: short stacking energy: -15.656
Base-Backbone interact. energy: -0.000
local terms energy: -24.476543
where:
bonds (distance) C4'-P energy: -4.525
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.715
flat angles P-C4'-P energy: -4.793
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: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -41.639199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.639199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.639199 (E_RNA)
where:
Base-Base interactions energy: -18.306
where: short stacking energy: -18.306
Base-Backbone interact. energy: -0.025
local terms energy: -23.308243
where:
bonds (distance) C4'-P energy: -4.624
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -2.225
tors. eta vs tors. theta energy: -3.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -40.178638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.178638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.178638 (E_RNA)
where:
Base-Base interactions energy: -15.281
where: short stacking energy: -15.281
Base-Backbone interact. energy: -0.000
local terms energy: -24.897779
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -4.646
flat angles P-C4'-P energy: -3.451
tors. eta vs tors. theta energy: -4.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -39.796835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.796835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.796835 (E_RNA)
where:
Base-Base interactions energy: -17.018
where: short stacking energy: -17.018
Base-Backbone interact. energy: -0.075
local terms energy: -22.703557
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -5.178
flat angles P-C4'-P energy: -2.887
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -36.174190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.174190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.174190 (E_RNA)
where:
Base-Base interactions energy: -15.127
where: short stacking energy: -15.127
Base-Backbone interact. energy: -0.000
local terms energy: -21.047538
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.468
flat angles P-C4'-P energy: -3.129
tors. eta vs tors. theta energy: -0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -29.826246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.826246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.826246 (E_RNA)
where:
Base-Base interactions energy: -10.024
where: short stacking energy: -10.024
Base-Backbone interact. energy: -0.122
local terms energy: -19.680531
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -3.535
flat angles P-C4'-P energy: -2.797
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -51.499738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.499738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.499738 (E_RNA)
where:
Base-Base interactions energy: -26.717
where: short stacking energy: -14.306
Base-Backbone interact. energy: -0.001
local terms energy: -24.781791
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.886
flat angles C4'-P-C4' energy: -5.957
flat angles P-C4'-P energy: -3.567
tors. eta vs tors. theta energy: -3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -47.846145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.846145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.846145 (E_RNA)
where:
Base-Base interactions energy: -19.810
where: short stacking energy: -19.810
Base-Backbone interact. energy: -0.000
local terms energy: -28.036085
where:
bonds (distance) C4'-P energy: -6.577
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.393
flat angles P-C4'-P energy: -4.284
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -45.822119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.822119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.822119 (E_RNA)
where:
Base-Base interactions energy: -20.634
where: short stacking energy: -20.634
Base-Backbone interact. energy: -0.000
local terms energy: -25.188120
where:
bonds (distance) C4'-P energy: -4.019
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.935
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -7.035
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: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -43.216806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.216806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.216806 (E_RNA)
where:
Base-Base interactions energy: -18.123
where: short stacking energy: -18.123
Base-Backbone interact. energy: -0.001
local terms energy: -25.093255
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.658
flat angles P-C4'-P energy: -3.985
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: 5, replica: 9
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -36.675405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.675405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.675405 (E_RNA)
where:
Base-Base interactions energy: -14.726
where: short stacking energy: -14.726
Base-Backbone interact. energy: -0.000
local terms energy: -21.949221
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -6.666
flat angles P-C4'-P energy: -1.493
tors. eta vs tors. theta energy: -1.070
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: 6, replica: 1
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -38.545371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.545371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.545371 (E_RNA)
where:
Base-Base interactions energy: -17.520
where: short stacking energy: -17.520
Base-Backbone interact. energy: -0.000
local terms energy: -21.024713
where:
bonds (distance) C4'-P energy: -3.397
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -4.463
flat angles P-C4'-P energy: -2.689
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: 7, replica: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -35.939010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.939010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.939010 (E_RNA)
where:
Base-Base interactions energy: -12.080
where: short stacking energy: -12.080
Base-Backbone interact. energy: -0.001
local terms energy: -23.858347
where:
bonds (distance) C4'-P energy: -5.252
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.584
flat angles P-C4'-P energy: -4.723
tors. eta vs tors. theta energy: -2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -35.135298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.135298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.135298 (E_RNA)
where:
Base-Base interactions energy: -14.160
where: short stacking energy: -14.160
Base-Backbone interact. energy: -0.000
local terms energy: -20.975527
where:
bonds (distance) C4'-P energy: -3.762
bonds (distance) P-C4' energy: -5.085
flat angles C4'-P-C4' energy: -4.362
flat angles P-C4'-P energy: -3.804
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -37.680362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.680362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.680362 (E_RNA)
where:
Base-Base interactions energy: -21.518
where: short stacking energy: -7.385
Base-Backbone interact. energy: -0.033
local terms energy: -16.129354
where:
bonds (distance) C4'-P energy: -3.866
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -3.626
flat angles P-C4'-P energy: -2.123
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: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -30.936720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.936720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.936720 (E_RNA)
where:
Base-Base interactions energy: -9.289
where: short stacking energy: -9.289
Base-Backbone interact. energy: -0.118
local terms energy: -21.529997
where:
bonds (distance) C4'-P energy: -4.070
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -6.337
flat angles P-C4'-P energy: -4.142
tors. eta vs tors. theta energy: -0.531
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: 7
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -54.983113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.983113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.983113 (E_RNA)
where:
Base-Base interactions energy: -24.808
where: short stacking energy: -24.808
Base-Backbone interact. energy: -0.000
local terms energy: -30.175605
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.442
flat angles C4'-P-C4' energy: -6.607
flat angles P-C4'-P energy: -3.953
tors. eta vs tors. theta energy: -7.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -48.325209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.325209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.325209 (E_RNA)
where:
Base-Base interactions energy: -22.134
where: short stacking energy: -18.199
Base-Backbone interact. energy: -0.000
local terms energy: -26.191405
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -4.967
flat angles P-C4'-P energy: -4.770
tors. eta vs tors. theta energy: -4.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -49.727939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.727939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.727939 (E_RNA)
where:
Base-Base interactions energy: -24.161
where: short stacking energy: -24.161
Base-Backbone interact. energy: -0.000
local terms energy: -25.566784
where:
bonds (distance) C4'-P energy: -4.835
bonds (distance) P-C4' energy: -5.315
flat angles C4'-P-C4' energy: -4.254
flat angles P-C4'-P energy: -4.544
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: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -38.175378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.175378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.175378 (E_RNA)
where:
Base-Base interactions energy: -16.437
where: short stacking energy: -16.437
Base-Backbone interact. energy: -0.077
local terms energy: -21.660903
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -4.715
flat angles P-C4'-P energy: -3.231
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -39.815941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.815941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.815941 (E_RNA)
where:
Base-Base interactions energy: -16.515
where: short stacking energy: -16.515
Base-Backbone interact. energy: -0.000
local terms energy: -23.301325
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -4.396
flat angles C4'-P-C4' energy: -5.328
flat angles P-C4'-P energy: -4.182
tors. eta vs tors. theta energy: -4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -45.763206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.763206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.763206 (E_RNA)
where:
Base-Base interactions energy: -23.231
where: short stacking energy: -11.256
Base-Backbone interact. energy: -0.000
local terms energy: -22.532684
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -5.251
flat angles C4'-P-C4' energy: -4.041
flat angles P-C4'-P energy: -2.945
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: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -38.508170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.508170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.508170 (E_RNA)
where:
Base-Base interactions energy: -12.947
where: short stacking energy: -12.947
Base-Backbone interact. energy: -0.000
local terms energy: -25.561020
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.987
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -36.611552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.611552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.611552 (E_RNA)
where:
Base-Base interactions energy: -17.579
where: short stacking energy: -12.940
Base-Backbone interact. energy: -0.015
local terms energy: -19.017366
where:
bonds (distance) C4'-P energy: -2.997
bonds (distance) P-C4' energy: -5.301
flat angles C4'-P-C4' energy: -2.626
flat angles P-C4'-P energy: -4.499
tors. eta vs tors. theta energy: -3.594
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: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -35.111540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.111540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.111540 (E_RNA)
where:
Base-Base interactions energy: -12.793
where: short stacking energy: -12.793
Base-Backbone interact. energy: -0.000
local terms energy: -22.318026
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -2.246
flat angles P-C4'-P energy: -4.520
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -34.369271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.369271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.369271 (E_RNA)
where:
Base-Base interactions energy: -15.470
where: short stacking energy: -10.345
Base-Backbone interact. energy: -0.016
local terms energy: -18.883533
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -4.759
flat angles P-C4'-P energy: -2.387
tors. eta vs tors. theta energy: 0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -45.572282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.572282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.572282 (E_RNA)
where:
Base-Base interactions energy: -18.711
where: short stacking energy: -18.711
Base-Backbone interact. energy: -0.000
local terms energy: -26.861317
where:
bonds (distance) C4'-P energy: -5.589
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -5.932
flat angles P-C4'-P energy: -5.012
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -47.236967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.236967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.236967 (E_RNA)
where:
Base-Base interactions energy: -18.229
where: short stacking energy: -18.229
Base-Backbone interact. energy: -0.000
local terms energy: -29.007646
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.275
flat angles P-C4'-P energy: -4.221
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -46.336201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.336201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.336201 (E_RNA)
where:
Base-Base interactions energy: -22.295
where: short stacking energy: -22.295
Base-Backbone interact. energy: -0.000
local terms energy: -24.040978
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -3.452
flat angles P-C4'-P energy: -3.127
tors. eta vs tors. theta energy: -5.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -41.442493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.442493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.442493 (E_RNA)
where:
Base-Base interactions energy: -17.593
where: short stacking energy: -17.593
Base-Backbone interact. energy: -0.000
local terms energy: -23.849203
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -5.509
flat angles C4'-P-C4' energy: -5.518
flat angles P-C4'-P energy: -1.597
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: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -38.132179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.132179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.132179 (E_RNA)
where:
Base-Base interactions energy: -14.116
where: short stacking energy: -14.116
Base-Backbone interact. energy: -0.029
local terms energy: -23.986808
where:
bonds (distance) C4'-P energy: -6.362
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -5.138
flat angles P-C4'-P energy: -2.665
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -40.324901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.324901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.324901 (E_RNA)
where:
Base-Base interactions energy: -17.214
where: short stacking energy: -17.214
Base-Backbone interact. energy: -0.001
local terms energy: -23.109524
where:
bonds (distance) C4'-P energy: -3.982
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.049
flat angles P-C4'-P energy: -4.640
tors. eta vs tors. theta energy: -2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -43.075515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.075515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.075515 (E_RNA)
where:
Base-Base interactions energy: -19.890
where: short stacking energy: -19.890
Base-Backbone interact. energy: -0.000
local terms energy: -23.185630
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -5.346
flat angles C4'-P-C4' energy: -5.461
flat angles P-C4'-P energy: -2.175
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: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -33.863960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.863960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.863960 (E_RNA)
where:
Base-Base interactions energy: -13.873
where: short stacking energy: -13.873
Base-Backbone interact. energy: -0.001
local terms energy: -19.989953
where:
bonds (distance) C4'-P energy: -3.025
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -6.337
flat angles P-C4'-P energy: -0.492
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -39.968538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.968538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.968538 (E_RNA)
where:
Base-Base interactions energy: -16.212
where: short stacking energy: -16.212
Base-Backbone interact. energy: -0.000
local terms energy: -23.756848
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.258
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -3.628
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: 3
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -33.534669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.534669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.534669 (E_RNA)
where:
Base-Base interactions energy: -14.413
where: short stacking energy: -14.413
Base-Backbone interact. energy: -0.000
local terms energy: -19.121206
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -4.233
flat angles C4'-P-C4' energy: -5.037
flat angles P-C4'-P energy: -3.136
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: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -48.737558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.737558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.737558 (E_RNA)
where:
Base-Base interactions energy: -18.510
where: short stacking energy: -18.510
Base-Backbone interact. energy: -0.000
local terms energy: -30.227106
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -6.392
flat angles C4'-P-C4' energy: -6.327
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -7.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -43.556781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.556781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.556781 (E_RNA)
where:
Base-Base interactions energy: -17.557
where: short stacking energy: -17.557
Base-Backbone interact. energy: -0.006
local terms energy: -25.992917
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.980
flat angles P-C4'-P energy: -3.759
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -48.303757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.303757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.303757 (E_RNA)
where:
Base-Base interactions energy: -21.887
where: short stacking energy: -21.887
Base-Backbone interact. energy: -0.000
local terms energy: -26.416586
where:
bonds (distance) C4'-P energy: -4.107
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -6.306
flat angles P-C4'-P energy: -2.553
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: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -37.049774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.049774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.049774 (E_RNA)
where:
Base-Base interactions energy: -22.081
where: short stacking energy: -7.180
Base-Backbone interact. energy: -0.005
local terms energy: -14.963728
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -2.999
flat angles P-C4'-P energy: -2.350
tors. eta vs tors. theta energy: 2.440
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: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -41.629860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.629860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.629860 (E_RNA)
where:
Base-Base interactions energy: -16.389
where: short stacking energy: -16.389
Base-Backbone interact. energy: -0.075
local terms energy: -25.166286
where:
bonds (distance) C4'-P energy: -4.810
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.709
flat angles P-C4'-P energy: -2.660
tors. eta vs tors. theta energy: -5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -38.250738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.250738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.250738 (E_RNA)
where:
Base-Base interactions energy: -18.280
where: short stacking energy: -13.342
Base-Backbone interact. energy: -0.012
local terms energy: -19.958239
where:
bonds (distance) C4'-P energy: -4.802
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -4.826
flat angles P-C4'-P energy: -3.163
tors. eta vs tors. theta energy: -1.207
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: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -43.523076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.523076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.523076 (E_RNA)
where:
Base-Base interactions energy: -25.759
where: short stacking energy: -14.150
Base-Backbone interact. energy: -0.000
local terms energy: -17.764039
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.355
flat angles C4'-P-C4' energy: -3.141
flat angles P-C4'-P energy: -2.860
tors. eta vs tors. theta energy: 0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -39.333732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.333732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.333732 (E_RNA)
where:
Base-Base interactions energy: -15.783
where: short stacking energy: -15.783
Base-Backbone interact. energy: -0.000
local terms energy: -23.550358
where:
bonds (distance) C4'-P energy: -3.841
bonds (distance) P-C4' energy: -5.995
flat angles C4'-P-C4' energy: -4.574
flat angles P-C4'-P energy: -4.208
tors. eta vs tors. theta energy: -4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -33.713378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.713378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.713378 (E_RNA)
where:
Base-Base interactions energy: -13.760
where: short stacking energy: -13.760
Base-Backbone interact. energy: -0.000
local terms energy: -19.953374
where:
bonds (distance) C4'-P energy: -3.805
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.803
flat angles P-C4'-P energy: -4.040
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: 10, replica: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -39.356322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.356322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.356322 (E_RNA)
where:
Base-Base interactions energy: -16.972
where: short stacking energy: -16.972
Base-Backbone interact. energy: -0.000
local terms energy: -22.384012
where:
bonds (distance) C4'-P energy: -5.394
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -4.899
flat angles P-C4'-P energy: -2.089
tors. eta vs tors. theta energy: -4.877
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: 7
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -53.201676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.201676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.201676 (E_RNA)
where:
Base-Base interactions energy: -26.277
where: short stacking energy: -26.277
Base-Backbone interact. energy: -0.000
local terms energy: -26.924720
where:
bonds (distance) C4'-P energy: -2.031
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.007
flat angles P-C4'-P energy: -4.200
tors. eta vs tors. theta energy: -7.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -41.564906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.564906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.564906 (E_RNA)
where:
Base-Base interactions energy: -18.682
where: short stacking energy: -13.034
Base-Backbone interact. energy: -0.073
local terms energy: -22.809729
where:
bonds (distance) C4'-P energy: -4.859
bonds (distance) P-C4' energy: -5.945
flat angles C4'-P-C4' energy: -5.515
flat angles P-C4'-P energy: -3.374
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: 3, replica: 8
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -44.653024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.653024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.653024 (E_RNA)
where:
Base-Base interactions energy: -18.919
where: short stacking energy: -18.919
Base-Backbone interact. energy: -0.001
local terms energy: -25.733289
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.279
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: -3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -41.497770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.497770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.497770 (E_RNA)
where:
Base-Base interactions energy: -17.955
where: short stacking energy: -17.955
Base-Backbone interact. energy: -0.009
local terms energy: -23.533566
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -3.709
flat angles P-C4'-P energy: -3.082
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -40.499610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.499610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.499610 (E_RNA)
where:
Base-Base interactions energy: -16.094
where: short stacking energy: -16.094
Base-Backbone interact. energy: -0.018
local terms energy: -24.387795
where:
bonds (distance) C4'-P energy: -6.176
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.458
flat angles P-C4'-P energy: -3.965
tors. eta vs tors. theta energy: -3.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -36.582620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.582620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.582620 (E_RNA)
where:
Base-Base interactions energy: -17.104
where: short stacking energy: -17.104
Base-Backbone interact. energy: -0.291
local terms energy: -19.187818
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -3.969
flat angles C4'-P-C4' energy: -5.771
flat angles P-C4'-P energy: -0.375
tors. eta vs tors. theta energy: -3.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -38.768721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.768721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.768721 (E_RNA)
where:
Base-Base interactions energy: -12.713
where: short stacking energy: -10.600
Base-Backbone interact. energy: -0.096
local terms energy: -25.959566
where:
bonds (distance) C4'-P energy: -5.104
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.747
flat angles P-C4'-P energy: -4.962
tors. eta vs tors. theta energy: -3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -35.771862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.771862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.771862 (E_RNA)
where:
Base-Base interactions energy: -12.542
where: short stacking energy: -12.542
Base-Backbone interact. energy: -0.005
local terms energy: -23.224411
where:
bonds (distance) C4'-P energy: -5.117
bonds (distance) P-C4' energy: -5.579
flat angles C4'-P-C4' energy: -6.198
flat angles P-C4'-P energy: -3.888
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -30.440691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.440691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.440691 (E_RNA)
where:
Base-Base interactions energy: -12.358
where: short stacking energy: -11.878
Base-Backbone interact. energy: -0.035
local terms energy: -18.048501
where:
bonds (distance) C4'-P energy: -4.703
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.346
flat angles P-C4'-P energy: -1.209
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -34.113880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.113880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.113880 (E_RNA)
where:
Base-Base interactions energy: -14.507
where: short stacking energy: -14.507
Base-Backbone interact. energy: -0.000
local terms energy: -19.606523
where:
bonds (distance) C4'-P energy: -5.306
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -3.345
flat angles P-C4'-P energy: -3.388
tors. eta vs tors. theta energy: -1.967
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: 1, replica: 7
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -44.156222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.156222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.156222 (E_RNA)
where:
Base-Base interactions energy: -18.646
where: short stacking energy: -18.646
Base-Backbone interact. energy: -0.001
local terms energy: -25.509550
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -5.931
flat angles C4'-P-C4' energy: -4.057
flat angles P-C4'-P energy: -3.341
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: 2, replica: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -39.654650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.654650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.654650 (E_RNA)
where:
Base-Base interactions energy: -17.029
where: short stacking energy: -16.320
Base-Backbone interact. energy: -0.168
local terms energy: -22.457502
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.537
flat angles C4'-P-C4' energy: -6.410
flat angles P-C4'-P energy: -4.667
tors. eta vs tors. theta energy: -0.024
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: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -38.146681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.146681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.146681 (E_RNA)
where:
Base-Base interactions energy: -12.650
where: short stacking energy: -12.650
Base-Backbone interact. energy: -0.100
local terms energy: -25.397277
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.253
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -39.534108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.534108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.534108 (E_RNA)
where:
Base-Base interactions energy: -14.352
where: short stacking energy: -14.352
Base-Backbone interact. energy: -0.179
local terms energy: -25.003859
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -4.503
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -41.232966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.232966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.232966 (E_RNA)
where:
Base-Base interactions energy: -14.340
where: short stacking energy: -10.887
Base-Backbone interact. energy: -0.001
local terms energy: -26.891602
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -3.535
flat angles P-C4'-P energy: -4.290
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -46.578757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.578757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.578757 (E_RNA)
where:
Base-Base interactions energy: -24.255
where: short stacking energy: -16.077
Base-Backbone interact. energy: -0.018
local terms energy: -22.305704
where:
bonds (distance) C4'-P energy: -4.231
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -5.266
flat angles P-C4'-P energy: -3.696
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -37.304687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.304687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.304687 (E_RNA)
where:
Base-Base interactions energy: -15.409
where: short stacking energy: -11.718
Base-Backbone interact. energy: -0.161
local terms energy: -21.735270
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.680
flat angles P-C4'-P energy: -1.874
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -42.867299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.867299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.867299 (E_RNA)
where:
Base-Base interactions energy: -19.959
where: short stacking energy: -19.959
Base-Backbone interact. energy: -0.000
local terms energy: -22.908181
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -3.939
flat angles P-C4'-P energy: -1.570
tors. eta vs tors. theta energy: -5.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -37.005168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.005168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.005168 (E_RNA)
where:
Base-Base interactions energy: -15.817
where: short stacking energy: -11.520
Base-Backbone interact. energy: -0.005
local terms energy: -21.183768
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -3.849
flat angles P-C4'-P energy: -2.858
tors. eta vs tors. theta energy: -2.767
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: 5
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -33.590513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.590513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.590513 (E_RNA)
where:
Base-Base interactions energy: -10.904
where: short stacking energy: -10.904
Base-Backbone interact. energy: -0.003
local terms energy: -22.684035
where:
bonds (distance) C4'-P energy: -2.881
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -5.044
flat angles P-C4'-P energy: -5.177
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: 7
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -45.816046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.816046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.816046 (E_RNA)
where:
Base-Base interactions energy: -27.511
where: short stacking energy: -16.775
Base-Backbone interact. energy: -0.098
local terms energy: -18.206908
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -2.836
flat angles P-C4'-P energy: -1.211
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -45.082431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.082431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.082431 (E_RNA)
where:
Base-Base interactions energy: -19.311
where: short stacking energy: -19.311
Base-Backbone interact. energy: -0.000
local terms energy: -25.771428
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -3.885
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -34.745027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.745027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.745027 (E_RNA)
where:
Base-Base interactions energy: -13.512
where: short stacking energy: -13.512
Base-Backbone interact. energy: 0.054
local terms energy: -21.286871
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -2.812
flat angles P-C4'-P energy: -4.826
tors. eta vs tors. theta energy: -1.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -42.613918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.613918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.613918 (E_RNA)
where:
Base-Base interactions energy: -17.066
where: short stacking energy: -17.066
Base-Backbone interact. energy: -0.010
local terms energy: -25.537239
where:
bonds (distance) C4'-P energy: -3.787
bonds (distance) P-C4' energy: -5.143
flat angles C4'-P-C4' energy: -6.701
flat angles P-C4'-P energy: -3.804
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: 5, replica: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -35.464998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.464998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.464998 (E_RNA)
where:
Base-Base interactions energy: -14.826
where: short stacking energy: -14.826
Base-Backbone interact. energy: -0.001
local terms energy: -20.638057
where:
bonds (distance) C4'-P energy: -4.098
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -5.670
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: 0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -38.126323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.126323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.126323 (E_RNA)
where:
Base-Base interactions energy: -13.642
where: short stacking energy: -13.642
Base-Backbone interact. energy: -0.083
local terms energy: -24.401478
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -4.568
flat angles P-C4'-P energy: -3.724
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: 7, replica: 1
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -34.420521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.420521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.420521 (E_RNA)
where:
Base-Base interactions energy: -13.762
where: short stacking energy: -7.704
Base-Backbone interact. energy: -0.168
local terms energy: -20.490423
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -5.436
flat angles P-C4'-P energy: -3.569
tors. eta vs tors. theta energy: -0.575
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: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -32.367602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.367602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.367602 (E_RNA)
where:
Base-Base interactions energy: -12.073
where: short stacking energy: -8.739
Base-Backbone interact. energy: -0.061
local terms energy: -20.233728
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -4.650
flat angles C4'-P-C4' energy: -4.952
flat angles P-C4'-P energy: -3.702
tors. eta vs tors. theta energy: -0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -40.566149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.566149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.566149 (E_RNA)
where:
Base-Base interactions energy: -15.827
where: short stacking energy: -15.827
Base-Backbone interact. energy: -0.001
local terms energy: -24.738088
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.452
flat angles P-C4'-P energy: -4.581
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: 10, replica: 5
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -30.424014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.424014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.424014 (E_RNA)
where:
Base-Base interactions energy: -9.517
where: short stacking energy: -9.517
Base-Backbone interact. energy: -0.096
local terms energy: -20.810355
where:
bonds (distance) C4'-P energy: -5.277
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.074
flat angles P-C4'-P energy: -3.404
tors. eta vs tors. theta energy: -0.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -51.885087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.885087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.885087 (E_RNA)
where:
Base-Base interactions energy: -23.123
where: short stacking energy: -23.123
Base-Backbone interact. energy: -0.000
local terms energy: -28.761718
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.635
flat angles P-C4'-P energy: -4.472
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: 2, replica: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -49.147038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.147038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.147038 (E_RNA)
where:
Base-Base interactions energy: -30.643
where: short stacking energy: -12.951
Base-Backbone interact. energy: -0.082
local terms energy: -18.422090
where:
bonds (distance) C4'-P energy: -1.560
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -4.981
flat angles P-C4'-P energy: -2.659
tors. eta vs tors. theta energy: -2.999
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: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -36.753347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.753347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.753347 (E_RNA)
where:
Base-Base interactions energy: -16.095
where: short stacking energy: -16.095
Base-Backbone interact. energy: -0.000
local terms energy: -20.657873
where:
bonds (distance) C4'-P energy: -3.617
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -5.164
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: -2.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -36.643109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.643109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.643109 (E_RNA)
where:
Base-Base interactions energy: -12.724
where: short stacking energy: -10.208
Base-Backbone interact. energy: -0.041
local terms energy: -23.877887
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -6.203
flat angles C4'-P-C4' energy: -5.618
flat angles P-C4'-P energy: -3.728
tors. eta vs tors. theta energy: -2.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -47.315584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.315584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.315584 (E_RNA)
where:
Base-Base interactions energy: -22.171
where: short stacking energy: -22.171
Base-Backbone interact. energy: -0.000
local terms energy: -25.145024
where:
bonds (distance) C4'-P energy: -6.023
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -5.578
flat angles P-C4'-P energy: -2.208
tors. eta vs tors. theta energy: -5.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -36.852741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.852741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.852741 (E_RNA)
where:
Base-Base interactions energy: -17.332
where: short stacking energy: -13.785
Base-Backbone interact. energy: -0.220
local terms energy: -19.300793
where:
bonds (distance) C4'-P energy: -3.646
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -3.773
flat angles P-C4'-P energy: -3.436
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -36.484145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.484145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.484145 (E_RNA)
where:
Base-Base interactions energy: -13.044
where: short stacking energy: -13.044
Base-Backbone interact. energy: -0.000
local terms energy: -23.440153
where:
bonds (distance) C4'-P energy: -4.392
bonds (distance) P-C4' energy: -5.840
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -3.366
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -34.806611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.806611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.806611 (E_RNA)
where:
Base-Base interactions energy: -13.183
where: short stacking energy: -13.183
Base-Backbone interact. energy: -0.008
local terms energy: -21.615761
where:
bonds (distance) C4'-P energy: -5.287
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -5.006
flat angles P-C4'-P energy: -2.114
tors. eta vs tors. theta energy: -3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -38.536871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.536871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.536871 (E_RNA)
where:
Base-Base interactions energy: -15.353
where: short stacking energy: -15.353
Base-Backbone interact. energy: -0.002
local terms energy: -23.182030
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -4.233
flat angles C4'-P-C4' energy: -4.822
flat angles P-C4'-P energy: -5.262
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -33.364224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.364224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.364224 (E_RNA)
where:
Base-Base interactions energy: -16.774
where: short stacking energy: -16.774
Base-Backbone interact. energy: -0.020
local terms energy: -16.570738
where:
bonds (distance) C4'-P energy: -3.369
bonds (distance) P-C4' energy: -3.044
flat angles C4'-P-C4' energy: -3.582
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -53.827005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.827005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.827005 (E_RNA)
where:
Base-Base interactions energy: -24.321
where: short stacking energy: -24.321
Base-Backbone interact. energy: -0.000
local terms energy: -29.506049
where:
bonds (distance) C4'-P energy: -5.651
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -6.417
flat angles P-C4'-P energy: -2.876
tors. eta vs tors. theta energy: -7.651
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: 7
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -52.745870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.745870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.745870 (E_RNA)
where:
Base-Base interactions energy: -26.939
where: short stacking energy: -16.560
Base-Backbone interact. energy: -1.054
local terms energy: -24.752076
where:
bonds (distance) C4'-P energy: -3.998
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.942
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -43.275716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.275716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.275716 (E_RNA)
where:
Base-Base interactions energy: -19.085
where: short stacking energy: -19.085
Base-Backbone interact. energy: -0.000
local terms energy: -24.191017
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.066
flat angles P-C4'-P energy: -4.085
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -36.791139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.791139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.791139 (E_RNA)
where:
Base-Base interactions energy: -16.269
where: short stacking energy: -16.269
Base-Backbone interact. energy: -0.008
local terms energy: -20.514119
where:
bonds (distance) C4'-P energy: -5.109
bonds (distance) P-C4' energy: -5.563
flat angles C4'-P-C4' energy: -6.322
flat angles P-C4'-P energy: -1.922
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -41.737972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.737972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.737972 (E_RNA)
where:
Base-Base interactions energy: -19.608
where: short stacking energy: -10.902
Base-Backbone interact. energy: -0.090
local terms energy: -22.039793
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -4.703
flat angles P-C4'-P energy: -3.803
tors. eta vs tors. theta energy: -0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -42.236112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.236112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.236112 (E_RNA)
where:
Base-Base interactions energy: -19.418
where: short stacking energy: -19.418
Base-Backbone interact. energy: -0.000
local terms energy: -22.817851
where:
bonds (distance) C4'-P energy: -4.400
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -3.764
flat angles P-C4'-P energy: -4.429
tors. eta vs tors. theta energy: -4.010
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: 25
Temperature: 1.200000
Total energy: -39.293998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.293998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.293998 (E_RNA)
where:
Base-Base interactions energy: -17.343
where: short stacking energy: -17.343
Base-Backbone interact. energy: -0.000
local terms energy: -21.950201
where:
bonds (distance) C4'-P energy: -3.539
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -1.696
flat angles P-C4'-P energy: -4.950
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: 8, replica: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -41.354033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.354033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.354033 (E_RNA)
where:
Base-Base interactions energy: -19.449
where: short stacking energy: -16.938
Base-Backbone interact. energy: -0.000
local terms energy: -21.904171
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -4.328
flat angles P-C4'-P energy: -3.019
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -34.967367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.967367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.967367 (E_RNA)
where:
Base-Base interactions energy: -14.247
where: short stacking energy: -14.247
Base-Backbone interact. energy: -0.188
local terms energy: -20.531727
where:
bonds (distance) C4'-P energy: -3.397
bonds (distance) P-C4' energy: -4.880
flat angles C4'-P-C4' energy: -6.500
flat angles P-C4'-P energy: -4.201
tors. eta vs tors. theta energy: -1.553
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: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -31.710234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.710234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.710234 (E_RNA)
where:
Base-Base interactions energy: -8.427
where: short stacking energy: -8.427
Base-Backbone interact. energy: -0.071
local terms energy: -23.213127
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.672
flat angles P-C4'-P energy: -5.083
tors. eta vs tors. theta energy: 0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -40.163411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.163411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.163411 (E_RNA)
where:
Base-Base interactions energy: -19.026
where: short stacking energy: -19.026
Base-Backbone interact. energy: -0.099
local terms energy: -21.038109
where:
bonds (distance) C4'-P energy: -5.179
bonds (distance) P-C4' energy: -5.767
flat angles C4'-P-C4' energy: -2.886
flat angles P-C4'-P energy: -3.052
tors. eta vs tors. theta energy: -4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -53.993368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.993368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.993368 (E_RNA)
where:
Base-Base interactions energy: -24.987
where: short stacking energy: -24.987
Base-Backbone interact. energy: -0.000
local terms energy: -29.006107
where:
bonds (distance) C4'-P energy: -5.543
bonds (distance) P-C4' energy: -6.358
flat angles C4'-P-C4' energy: -5.527
flat angles P-C4'-P energy: -3.560
tors. eta vs tors. theta energy: -8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -34.878449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.878449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.878449 (E_RNA)
where:
Base-Base interactions energy: -14.517
where: short stacking energy: -14.517
Base-Backbone interact. energy: -0.034
local terms energy: -20.326645
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.482
flat angles P-C4'-P energy: -0.758
tors. eta vs tors. theta energy: -3.220
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: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -38.979793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.979793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.979793 (E_RNA)
where:
Base-Base interactions energy: -18.901
where: short stacking energy: -18.901
Base-Backbone interact. energy: -0.030
local terms energy: -20.049144
where:
bonds (distance) C4'-P energy: -3.841
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -4.842
flat angles P-C4'-P energy: -2.442
tors. eta vs tors. theta energy: -2.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -36.496940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.496940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.496940 (E_RNA)
where:
Base-Base interactions energy: -15.396
where: short stacking energy: -15.396
Base-Backbone interact. energy: -0.010
local terms energy: -21.090105
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.311
flat angles P-C4'-P energy: -3.352
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: 6, replica: 6
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -41.228121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.228121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.228121 (E_RNA)
where:
Base-Base interactions energy: -16.124
where: short stacking energy: -16.124
Base-Backbone interact. energy: -0.000
local terms energy: -25.103897
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.524
flat angles P-C4'-P energy: -3.436
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -37.787791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.787791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.787791 (E_RNA)
where:
Base-Base interactions energy: -17.820
where: short stacking energy: -7.455
Base-Backbone interact. energy: -0.037
local terms energy: -19.930864
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -3.097
flat angles P-C4'-P energy: -4.708
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: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -30.732336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.732336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.732336 (E_RNA)
where:
Base-Base interactions energy: -11.911
where: short stacking energy: -11.911
Base-Backbone interact. energy: -0.048
local terms energy: -18.772487
where:
bonds (distance) C4'-P energy: -4.164
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -3.352
flat angles P-C4'-P energy: -5.730
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: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -35.740126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.740126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.740126 (E_RNA)
where:
Base-Base interactions energy: -13.750
where: short stacking energy: -13.750
Base-Backbone interact. energy: -0.000
local terms energy: -21.990212
where:
bonds (distance) C4'-P energy: -5.047
bonds (distance) P-C4' energy: -2.835
flat angles C4'-P-C4' energy: -5.882
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -34.606046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.606046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.606046 (E_RNA)
where:
Base-Base interactions energy: -14.644
where: short stacking energy: -14.644
Base-Backbone interact. energy: -0.000
local terms energy: -19.961764
where:
bonds (distance) C4'-P energy: -3.312
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.936
flat angles P-C4'-P energy: -2.357
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: 1, replica: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -47.161587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.161587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.161587 (E_RNA)
where:
Base-Base interactions energy: -22.614
where: short stacking energy: -11.778
Base-Backbone interact. energy: -0.020
local terms energy: -24.528228
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -4.869
flat angles P-C4'-P energy: -4.492
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: 2, replica: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -44.667109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.667109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.667109 (E_RNA)
where:
Base-Base interactions energy: -17.930
where: short stacking energy: -17.930
Base-Backbone interact. energy: -0.000
local terms energy: -26.737135
where:
bonds (distance) C4'-P energy: -4.045
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -6.658
flat angles P-C4'-P energy: -4.724
tors. eta vs tors. theta energy: -5.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -45.839383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.839383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.839383 (E_RNA)
where:
Base-Base interactions energy: -19.086
where: short stacking energy: -19.086
Base-Backbone interact. energy: -0.164
local terms energy: -26.589897
where:
bonds (distance) C4'-P energy: -5.241
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.588
flat angles P-C4'-P energy: -4.604
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -38.010578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.010578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.010578 (E_RNA)
where:
Base-Base interactions energy: -15.190
where: short stacking energy: -15.190
Base-Backbone interact. energy: -0.000
local terms energy: -22.820276
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -5.493
flat angles P-C4'-P energy: -4.306
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: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -41.784924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.784924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.784924 (E_RNA)
where:
Base-Base interactions energy: -13.011
where: short stacking energy: -13.011
Base-Backbone interact. energy: -0.000
local terms energy: -28.774144
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.571
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -5.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -41.079870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.079870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.079870 (E_RNA)
where:
Base-Base interactions energy: -17.660
where: short stacking energy: -17.509
Base-Backbone interact. energy: -0.000
local terms energy: -23.420204
where:
bonds (distance) C4'-P energy: -4.471
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -6.835
flat angles P-C4'-P energy: -2.984
tors. eta vs tors. theta energy: -2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -41.245908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.245908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.245908 (E_RNA)
where:
Base-Base interactions energy: -17.727
where: short stacking energy: -17.727
Base-Backbone interact. energy: -0.000
local terms energy: -23.519283
where:
bonds (distance) C4'-P energy: -2.048
bonds (distance) P-C4' energy: -4.398
flat angles C4'-P-C4' energy: -6.815
flat angles P-C4'-P energy: -4.042
tors. eta vs tors. theta energy: -6.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -34.185797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.185797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.185797 (E_RNA)
where:
Base-Base interactions energy: -11.894
where: short stacking energy: -11.894
Base-Backbone interact. energy: -0.003
local terms energy: -22.288794
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -3.656
flat angles C4'-P-C4' energy: -3.920
flat angles P-C4'-P energy: -4.042
tors. eta vs tors. theta energy: -4.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -39.068577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.068577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.068577 (E_RNA)
where:
Base-Base interactions energy: -18.250
where: short stacking energy: -10.639
Base-Backbone interact. energy: -0.177
local terms energy: -20.642328
where:
bonds (distance) C4'-P energy: -5.211
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -4.730
flat angles P-C4'-P energy: -2.992
tors. eta vs tors. theta energy: -1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -30.025632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.025632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.025632 (E_RNA)
where:
Base-Base interactions energy: -6.185
where: short stacking energy: -6.185
Base-Backbone interact. energy: -0.001
local terms energy: -23.840365
where:
bonds (distance) C4'-P energy: -6.160
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -5.591
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -48.394042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.394042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.394042 (E_RNA)
where:
Base-Base interactions energy: -20.081
where: short stacking energy: -20.081
Base-Backbone interact. energy: -0.000
local terms energy: -28.312913
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.934
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -48.271484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.271484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.271484 (E_RNA)
where:
Base-Base interactions energy: -19.808
where: short stacking energy: -19.808
Base-Backbone interact. energy: -0.000
local terms energy: -28.463170
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.934
flat angles P-C4'-P energy: -3.603
tors. eta vs tors. theta energy: -7.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -41.773159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.773159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.773159 (E_RNA)
where:
Base-Base interactions energy: -19.292
where: short stacking energy: -19.292
Base-Backbone interact. energy: -0.000
local terms energy: -22.480776
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.202
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -49.347491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.347491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.347491 (E_RNA)
where:
Base-Base interactions energy: -21.353
where: short stacking energy: -21.353
Base-Backbone interact. energy: -0.000
local terms energy: -27.994237
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.128
flat angles P-C4'-P energy: -4.280
tors. eta vs tors. theta energy: -6.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -43.562037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.562037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.562037 (E_RNA)
where:
Base-Base interactions energy: -17.375
where: short stacking energy: -17.375
Base-Backbone interact. energy: -0.000
local terms energy: -26.186937
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -5.998
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: -4.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -42.850941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.850941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.850941 (E_RNA)
where:
Base-Base interactions energy: -15.622
where: short stacking energy: -15.622
Base-Backbone interact. energy: -0.007
local terms energy: -27.221665
where:
bonds (distance) C4'-P energy: -4.764
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.728
flat angles P-C4'-P energy: -4.363
tors. eta vs tors. theta energy: -5.723
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: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -39.670138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.670138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.670138 (E_RNA)
where:
Base-Base interactions energy: -18.363
where: short stacking energy: -18.363
Base-Backbone interact. energy: -0.000
local terms energy: -21.307603
where:
bonds (distance) C4'-P energy: -3.982
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -6.682
flat angles P-C4'-P energy: -2.750
tors. eta vs tors. theta energy: -3.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -39.450250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.450250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.450250 (E_RNA)
where:
Base-Base interactions energy: -16.295
where: short stacking energy: -16.295
Base-Backbone interact. energy: -0.024
local terms energy: -23.130658
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -4.672
flat angles P-C4'-P energy: -4.105
tors. eta vs tors. theta energy: -1.404
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: 1
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -33.054169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.054169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.054169 (E_RNA)
where:
Base-Base interactions energy: -13.322
where: short stacking energy: -8.872
Base-Backbone interact. energy: -0.066
local terms energy: -19.666523
where:
bonds (distance) C4'-P energy: -4.363
bonds (distance) P-C4' energy: -5.699
flat angles C4'-P-C4' energy: -5.319
flat angles P-C4'-P energy: -3.493
tors. eta vs tors. theta energy: -0.793
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: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -34.277028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.277028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.277028 (E_RNA)
where:
Base-Base interactions energy: -11.775
where: short stacking energy: -11.775
Base-Backbone interact. energy: -0.016
local terms energy: -22.485512
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.559
flat angles P-C4'-P energy: -4.207
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: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -49.085033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.085033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.085033 (E_RNA)
where:
Base-Base interactions energy: -22.490
where: short stacking energy: -22.490
Base-Backbone interact. energy: -0.000
local terms energy: -26.595466
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -4.746
flat angles P-C4'-P energy: -2.787
tors. eta vs tors. theta energy: -5.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -54.628271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.628271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.628271 (E_RNA)
where:
Base-Base interactions energy: -31.834
where: short stacking energy: -15.897
Base-Backbone interact. energy: -0.068
local terms energy: -22.726818
where:
bonds (distance) C4'-P energy: -4.434
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -4.723
flat angles P-C4'-P energy: -3.556
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: 3, replica: 7
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -44.591126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.591126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.591126 (E_RNA)
where:
Base-Base interactions energy: -18.522
where: short stacking energy: -18.522
Base-Backbone interact. energy: -0.002
local terms energy: -26.067417
where:
bonds (distance) C4'-P energy: -4.880
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -5.376
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -34.266916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.266916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.266916 (E_RNA)
where:
Base-Base interactions energy: -10.722
where: short stacking energy: -10.722
Base-Backbone interact. energy: -0.175
local terms energy: -23.370164
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.359
flat angles P-C4'-P energy: -4.882
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: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -39.167047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.167047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.167047 (E_RNA)
where:
Base-Base interactions energy: -13.725
where: short stacking energy: -13.725
Base-Backbone interact. energy: -0.100
local terms energy: -25.342412
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -6.273
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: -3.625
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: 29
Temperature: 1.150000
Total energy: -40.190888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.190888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.190888 (E_RNA)
where:
Base-Base interactions energy: -20.966
where: short stacking energy: -8.736
Base-Backbone interact. energy: -0.002
local terms energy: -19.222717
where:
bonds (distance) C4'-P energy: -3.187
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.730
flat angles P-C4'-P energy: -3.147
tors. eta vs tors. theta energy: -1.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -37.710636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.710636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.710636 (E_RNA)
where:
Base-Base interactions energy: -10.960
where: short stacking energy: -10.960
Base-Backbone interact. energy: -0.501
local terms energy: -26.249123
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -5.635
flat angles C4'-P-C4' energy: -4.853
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -5.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -36.490550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.490550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.490550 (E_RNA)
where:
Base-Base interactions energy: -15.080
where: short stacking energy: -14.080
Base-Backbone interact. energy: -0.001
local terms energy: -21.409755
where:
bonds (distance) C4'-P energy: -4.126
bonds (distance) P-C4' energy: -4.131
flat angles C4'-P-C4' energy: -6.382
flat angles P-C4'-P energy: -4.475
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -36.558835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.558835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.558835 (E_RNA)
where:
Base-Base interactions energy: -13.514
where: short stacking energy: -13.514
Base-Backbone interact. energy: -0.002
local terms energy: -23.042231
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -5.413
flat angles C4'-P-C4' energy: -6.240
flat angles P-C4'-P energy: -2.335
tors. eta vs tors. theta energy: -3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -29.599549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.599549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.599549 (E_RNA)
where:
Base-Base interactions energy: -9.260
where: short stacking energy: -4.798
Base-Backbone interact. energy: -0.042
local terms energy: -20.298357
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -4.721
flat angles P-C4'-P energy: -3.789
tors. eta vs tors. theta energy: -0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -55.218353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.218353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.218353 (E_RNA)
where:
Base-Base interactions energy: -30.730
where: short stacking energy: -18.422
Base-Backbone interact. energy: -0.036
local terms energy: -24.452131
where:
bonds (distance) C4'-P energy: -4.983
bonds (distance) P-C4' energy: -5.871
flat angles C4'-P-C4' energy: -5.869
flat angles P-C4'-P energy: -2.848
tors. eta vs tors. theta energy: -4.881
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: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -52.729385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.729385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.729385 (E_RNA)
where:
Base-Base interactions energy: -23.648
where: short stacking energy: -23.648
Base-Backbone interact. energy: -0.000
local terms energy: -29.081346
where:
bonds (distance) C4'-P energy: -5.626
bonds (distance) P-C4' energy: -5.734
flat angles C4'-P-C4' energy: -5.742
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -45.326873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.326873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.326873 (E_RNA)
where:
Base-Base interactions energy: -20.161
where: short stacking energy: -20.161
Base-Backbone interact. energy: -0.000
local terms energy: -25.165613
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -5.991
flat angles C4'-P-C4' energy: -3.629
flat angles P-C4'-P energy: -4.298
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: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -41.641704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.641704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.641704 (E_RNA)
where:
Base-Base interactions energy: -17.751
where: short stacking energy: -17.751
Base-Backbone interact. energy: -0.000
local terms energy: -23.890358
where:
bonds (distance) C4'-P energy: -4.242
bonds (distance) P-C4' energy: -5.413
flat angles C4'-P-C4' energy: -5.665
flat angles P-C4'-P energy: -3.038
tors. eta vs tors. theta energy: -5.531
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: 5, replica: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -42.354969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.354969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.354969 (E_RNA)
where:
Base-Base interactions energy: -21.582
where: short stacking energy: -16.236
Base-Backbone interact. energy: -0.001
local terms energy: -20.771648
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -3.666
flat angles P-C4'-P energy: -2.541
tors. eta vs tors. theta energy: -2.081
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: 6, replica: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -39.015063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.015063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.015063 (E_RNA)
where:
Base-Base interactions energy: -19.293
where: short stacking energy: -19.293
Base-Backbone interact. energy: -0.000
local terms energy: -19.721838
where:
bonds (distance) C4'-P energy: -3.833
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -3.748
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: -4.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -37.596346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.596346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.596346 (E_RNA)
where:
Base-Base interactions energy: -16.416
where: short stacking energy: -16.416
Base-Backbone interact. energy: -0.000
local terms energy: -21.180599
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -4.028
flat angles P-C4'-P energy: -2.121
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -45.341138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.341138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.341138 (E_RNA)
where:
Base-Base interactions energy: -23.281
where: short stacking energy: -17.552
Base-Backbone interact. energy: -0.748
local terms energy: -21.311755
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -3.569
flat angles C4'-P-C4' energy: -4.844
flat angles P-C4'-P energy: -1.788
tors. eta vs tors. theta energy: -5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -29.774905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.774905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.774905 (E_RNA)
where:
Base-Base interactions energy: -8.605
where: short stacking energy: -7.344
Base-Backbone interact. energy: -0.023
local terms energy: -21.146917
where:
bonds (distance) C4'-P energy: -5.277
bonds (distance) P-C4' energy: -5.441
flat angles C4'-P-C4' energy: -5.229
flat angles P-C4'-P energy: -4.136
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: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -33.595138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.595138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.595138 (E_RNA)
where:
Base-Base interactions energy: -16.471
where: short stacking energy: -16.471
Base-Backbone interact. energy: -0.027
local terms energy: -17.097239
where:
bonds (distance) C4'-P energy: -3.316
bonds (distance) P-C4' energy: -6.104
flat angles C4'-P-C4' energy: -5.380
flat angles P-C4'-P energy: -1.727
tors. eta vs tors. theta energy: -0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -55.708216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.708216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.708216 (E_RNA)
where:
Base-Base interactions energy: -31.450
where: short stacking energy: -22.629
Base-Backbone interact. energy: -0.006
local terms energy: -24.251767
where:
bonds (distance) C4'-P energy: -2.748
bonds (distance) P-C4' energy: -5.301
flat angles C4'-P-C4' energy: -6.559
flat angles P-C4'-P energy: -4.440
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -48.240619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.240619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.240619 (E_RNA)
where:
Base-Base interactions energy: -22.253
where: short stacking energy: -22.253
Base-Backbone interact. energy: -0.000
local terms energy: -25.987376
where:
bonds (distance) C4'-P energy: -6.060
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -4.877
flat angles P-C4'-P energy: -4.369
tors. eta vs tors. theta energy: -4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -41.139919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.139919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.139919 (E_RNA)
where:
Base-Base interactions energy: -17.461
where: short stacking energy: -17.461
Base-Backbone interact. energy: -0.018
local terms energy: -23.660451
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -4.589
flat angles C4'-P-C4' energy: -5.644
flat angles P-C4'-P energy: -4.346
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: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -45.127887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.127887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.127887 (E_RNA)
where:
Base-Base interactions energy: -20.579
where: short stacking energy: -20.579
Base-Backbone interact. energy: -0.000
local terms energy: -24.549369
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -6.010
flat angles P-C4'-P energy: -1.226
tors. eta vs tors. theta energy: -5.482
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: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -37.605143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.605143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.605143 (E_RNA)
where:
Base-Base interactions energy: -14.997
where: short stacking energy: -14.997
Base-Backbone interact. energy: -0.007
local terms energy: -22.601293
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -5.896
flat angles C4'-P-C4' energy: -6.047
flat angles P-C4'-P energy: -1.587
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: 6, replica: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -41.018048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.018048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.018048 (E_RNA)
where:
Base-Base interactions energy: -16.249
where: short stacking energy: -16.249
Base-Backbone interact. energy: -0.002
local terms energy: -24.767962
where:
bonds (distance) C4'-P energy: -3.859
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -5.621
flat angles P-C4'-P energy: -4.706
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -36.529640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.529640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.529640 (E_RNA)
where:
Base-Base interactions energy: -18.208
where: short stacking energy: -13.950
Base-Backbone interact. energy: -0.152
local terms energy: -18.169950
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -4.803
flat angles C4'-P-C4' energy: -4.145
flat angles P-C4'-P energy: -1.765
tors. eta vs tors. theta energy: -1.798
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: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -36.275622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.275622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.275622 (E_RNA)
where:
Base-Base interactions energy: -21.356
where: short stacking energy: -8.115
Base-Backbone interact. energy: -0.006
local terms energy: -14.913677
where:
bonds (distance) C4'-P energy: -4.346
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -1.142
flat angles P-C4'-P energy: -2.165
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: 9, replica: 2
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -36.468816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.468816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.468816 (E_RNA)
where:
Base-Base interactions energy: -13.983
where: short stacking energy: -13.983
Base-Backbone interact. energy: -0.004
local terms energy: -22.482455
where:
bonds (distance) C4'-P energy: -3.449
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.118
flat angles P-C4'-P energy: -4.704
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -38.666062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.666062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.666062 (E_RNA)
where:
Base-Base interactions energy: -18.306
where: short stacking energy: -18.306
Base-Backbone interact. energy: -0.040
local terms energy: -20.319440
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -4.771
flat angles P-C4'-P energy: -3.008
tors. eta vs tors. theta energy: -0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -47.195445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.195445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.195445 (E_RNA)
where:
Base-Base interactions energy: -20.151
where: short stacking energy: -20.151
Base-Backbone interact. energy: -0.000
local terms energy: -27.044751
where:
bonds (distance) C4'-P energy: -5.650
bonds (distance) P-C4' energy: -5.945
flat angles C4'-P-C4' energy: -6.197
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -44.930378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.930378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.930378 (E_RNA)
where:
Base-Base interactions energy: -20.658
where: short stacking energy: -20.658
Base-Backbone interact. energy: -0.001
local terms energy: -24.271114
where:
bonds (distance) C4'-P energy: -4.194
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -6.282
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: -4.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -46.150748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.150748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.150748 (E_RNA)
where:
Base-Base interactions energy: -21.082
where: short stacking energy: -21.082
Base-Backbone interact. energy: -0.001
local terms energy: -25.068229
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -3.968
flat angles P-C4'-P energy: -3.441
tors. eta vs tors. theta energy: -5.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -47.401734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.401734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.401734 (E_RNA)
where:
Base-Base interactions energy: -20.833
where: short stacking energy: -20.833
Base-Backbone interact. energy: -0.000
local terms energy: -26.568903
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -5.655
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -6.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -41.475493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.475493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.475493 (E_RNA)
where:
Base-Base interactions energy: -17.905
where: short stacking energy: -17.905
Base-Backbone interact. energy: -0.000
local terms energy: -23.569998
where:
bonds (distance) C4'-P energy: -2.267
bonds (distance) P-C4' energy: -6.125
flat angles C4'-P-C4' energy: -5.866
flat angles P-C4'-P energy: -3.496
tors. eta vs tors. theta energy: -5.816
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: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -36.615580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.615580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.615580 (E_RNA)
where:
Base-Base interactions energy: -12.380
where: short stacking energy: -12.380
Base-Backbone interact. energy: -0.000
local terms energy: -24.235629
where:
bonds (distance) C4'-P energy: -4.230
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -5.459
flat angles P-C4'-P energy: -4.901
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: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -38.957105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.957105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.957105 (E_RNA)
where:
Base-Base interactions energy: -14.707
where: short stacking energy: -14.707
Base-Backbone interact. energy: -0.000
local terms energy: -24.249752
where:
bonds (distance) C4'-P energy: -5.241
bonds (distance) P-C4' energy: -5.840
flat angles C4'-P-C4' energy: -5.864
flat angles P-C4'-P energy: -3.041
tors. eta vs tors. theta energy: -4.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -35.288713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.288713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.288713 (E_RNA)
where:
Base-Base interactions energy: -10.825
where: short stacking energy: -10.825
Base-Backbone interact. energy: -0.021
local terms energy: -24.443206
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -5.760
flat angles P-C4'-P energy: -2.868
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: 9, replica: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -37.045498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.045498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.045498 (E_RNA)
where:
Base-Base interactions energy: -13.684
where: short stacking energy: -13.684
Base-Backbone interact. energy: -0.073
local terms energy: -23.288898
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.171
flat angles P-C4'-P energy: -3.693
tors. eta vs tors. theta energy: -3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -31.716689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.716689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.716689 (E_RNA)
where:
Base-Base interactions energy: -11.410
where: short stacking energy: -11.410
Base-Backbone interact. energy: -0.003
local terms energy: -20.303883
where:
bonds (distance) C4'-P energy: -3.403
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -5.582
flat angles P-C4'-P energy: -4.548
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: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -43.150960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.150960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.150960 (E_RNA)
where:
Base-Base interactions energy: -20.758
where: short stacking energy: -16.534
Base-Backbone interact. energy: -0.001
local terms energy: -22.392046
where:
bonds (distance) C4'-P energy: -2.082
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -4.030
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: 2, replica: 9
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -42.146908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.146908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.146908 (E_RNA)
where:
Base-Base interactions energy: -16.802
where: short stacking energy: -16.802
Base-Backbone interact. energy: -0.001
local terms energy: -25.343455
where:
bonds (distance) C4'-P energy: -6.362
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.715
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -47.056300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.056300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.056300 (E_RNA)
where:
Base-Base interactions energy: -21.453
where: short stacking energy: -21.453
Base-Backbone interact. energy: -0.000
local terms energy: -25.603400
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -4.528
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: 4, replica: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -35.134842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.134842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.134842 (E_RNA)
where:
Base-Base interactions energy: -13.282
where: short stacking energy: -13.282
Base-Backbone interact. energy: 0.491
local terms energy: -22.343243
where:
bonds (distance) C4'-P energy: -4.168
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -5.887
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -2.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -43.475920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.475920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.475920 (E_RNA)
where:
Base-Base interactions energy: -17.574
where: short stacking energy: -17.574
Base-Backbone interact. energy: -0.001
local terms energy: -25.901190
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -6.460
flat angles C4'-P-C4' energy: -4.370
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: -5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -35.926633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.926633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.926633 (E_RNA)
where:
Base-Base interactions energy: -11.591
where: short stacking energy: -11.591
Base-Backbone interact. energy: -0.006
local terms energy: -24.329573
where:
bonds (distance) C4'-P energy: -4.802
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -4.547
flat angles P-C4'-P energy: -5.091
tors. eta vs tors. theta energy: -3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -39.331432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.331432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.331432 (E_RNA)
where:
Base-Base interactions energy: -16.230
where: short stacking energy: -16.230
Base-Backbone interact. energy: 0.188
local terms energy: -23.288947
where:
bonds (distance) C4'-P energy: -4.719
bonds (distance) P-C4' energy: -5.763
flat angles C4'-P-C4' energy: -6.490
flat angles P-C4'-P energy: -3.703
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -31.880008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.880008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.880008 (E_RNA)
where:
Base-Base interactions energy: -9.139
where: short stacking energy: -7.856
Base-Backbone interact. energy: -0.026
local terms energy: -22.714739
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -6.096
flat angles P-C4'-P energy: -4.108
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: 1
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -32.491038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.491038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.491038 (E_RNA)
where:
Base-Base interactions energy: -12.210
where: short stacking energy: -11.951
Base-Backbone interact. energy: -0.087
local terms energy: -20.193484
where:
bonds (distance) C4'-P energy: -3.502
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -4.752
flat angles P-C4'-P energy: -3.383
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -36.414996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.414996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.414996 (E_RNA)
where:
Base-Base interactions energy: -18.690
where: short stacking energy: -18.690
Base-Backbone interact. energy: -0.000
local terms energy: -17.724809
where:
bonds (distance) C4'-P energy: -3.128
bonds (distance) P-C4' energy: -5.083
flat angles C4'-P-C4' energy: -4.528
flat angles P-C4'-P energy: -1.004
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: 1, replica: 7
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -52.178286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.178286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.178286 (E_RNA)
where:
Base-Base interactions energy: -30.105
where: short stacking energy: -14.096
Base-Backbone interact. energy: -0.074
local terms energy: -21.999845
where:
bonds (distance) C4'-P energy: -4.376
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.179
flat angles P-C4'-P energy: -1.218
tors. eta vs tors. theta energy: -5.014
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: 9
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -41.623470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.623470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.623470 (E_RNA)
where:
Base-Base interactions energy: -15.360
where: short stacking energy: -15.360
Base-Backbone interact. energy: -0.000
local terms energy: -26.263834
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -6.246
flat angles P-C4'-P energy: -4.615
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: 3, replica: 10
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -49.723316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.723316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.723316 (E_RNA)
where:
Base-Base interactions energy: -22.836
where: short stacking energy: -22.836
Base-Backbone interact. energy: -0.000
local terms energy: -26.887182
where:
bonds (distance) C4'-P energy: -5.295
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -4.645
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -6.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -41.089910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.089910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.089910 (E_RNA)
where:
Base-Base interactions energy: -17.319
where: short stacking energy: -17.319
Base-Backbone interact. energy: -0.019
local terms energy: -23.751700
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -6.153
flat angles C4'-P-C4' energy: -4.520
flat angles P-C4'-P energy: -3.622
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: 5, replica: 8
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -39.687238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.687238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.687238 (E_RNA)
where:
Base-Base interactions energy: -19.814
where: short stacking energy: -16.245
Base-Backbone interact. energy: 0.340
local terms energy: -20.213399
where:
bonds (distance) C4'-P energy: -5.029
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -2.499
tors. eta vs tors. theta energy: -2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -38.537939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.537939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.537939 (E_RNA)
where:
Base-Base interactions energy: -17.687
where: short stacking energy: -17.687
Base-Backbone interact. energy: -0.000
local terms energy: -20.850426
where:
bonds (distance) C4'-P energy: -4.985
bonds (distance) P-C4' energy: -5.304
flat angles C4'-P-C4' energy: -4.659
flat angles P-C4'-P energy: -1.858
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -49.210707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.210707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.210707 (E_RNA)
where:
Base-Base interactions energy: -24.569
where: short stacking energy: -17.232
Base-Backbone interact. energy: -0.170
local terms energy: -24.471203
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -6.082
flat angles P-C4'-P energy: -3.361
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: 8, replica: 4
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -38.197697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.197697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.197697 (E_RNA)
where:
Base-Base interactions energy: -16.899
where: short stacking energy: -16.899
Base-Backbone interact. energy: -0.000
local terms energy: -21.298805
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -5.382
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: -1.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -31.061481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.061481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.061481 (E_RNA)
where:
Base-Base interactions energy: -11.678
where: short stacking energy: -11.678
Base-Backbone interact. energy: -0.264
local terms energy: -19.119729
where:
bonds (distance) C4'-P energy: -3.382
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -4.648
flat angles P-C4'-P energy: -2.996
tors. eta vs tors. theta energy: -2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -35.396471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.396471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.396471 (E_RNA)
where:
Base-Base interactions energy: -10.599
where: short stacking energy: -10.599
Base-Backbone interact. energy: -0.001
local terms energy: -24.797112
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -6.592
flat angles P-C4'-P energy: -3.878
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -54.395268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.395268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.395268 (E_RNA)
where:
Base-Base interactions energy: -26.828
where: short stacking energy: -22.535
Base-Backbone interact. energy: -1.650
local terms energy: -25.917800
where:
bonds (distance) C4'-P energy: -4.019
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.397
flat angles P-C4'-P energy: -3.472
tors. eta vs tors. theta energy: -6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -48.299902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.299902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.299902 (E_RNA)
where:
Base-Base interactions energy: -22.622
where: short stacking energy: -12.710
Base-Backbone interact. energy: -0.018
local terms energy: -25.660294
where:
bonds (distance) C4'-P energy: -6.254
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -4.882
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -49.249736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.249736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.249736 (E_RNA)
where:
Base-Base interactions energy: -22.267
where: short stacking energy: -22.267
Base-Backbone interact. energy: -0.000
local terms energy: -26.983081
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.700
flat angles P-C4'-P energy: -4.418
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: 4, replica: 8
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -38.745783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.745783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.745783 (E_RNA)
where:
Base-Base interactions energy: -18.988
where: short stacking energy: -18.988
Base-Backbone interact. energy: -0.003
local terms energy: -19.755268
where:
bonds (distance) C4'-P energy: -2.181
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -6.520
flat angles P-C4'-P energy: -1.573
tors. eta vs tors. theta energy: -3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -38.390788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.390788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.390788 (E_RNA)
where:
Base-Base interactions energy: -15.465
where: short stacking energy: -15.465
Base-Backbone interact. energy: -0.000
local terms energy: -22.925752
where:
bonds (distance) C4'-P energy: -4.532
bonds (distance) P-C4' energy: -6.399
flat angles C4'-P-C4' energy: -5.114
flat angles P-C4'-P energy: -3.670
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: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -34.875360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.875360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.875360 (E_RNA)
where:
Base-Base interactions energy: -12.137
where: short stacking energy: -12.137
Base-Backbone interact. energy: -0.003
local terms energy: -22.736078
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -4.654
flat angles P-C4'-P energy: -4.054
tors. eta vs tors. theta energy: -1.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -41.977664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.977664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.977664 (E_RNA)
where:
Base-Base interactions energy: -19.951
where: short stacking energy: -12.890
Base-Backbone interact. energy: -0.002
local terms energy: -22.025081
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.911
flat angles P-C4'-P energy: -2.723
tors. eta vs tors. theta energy: -1.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -36.718327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.718327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.718327 (E_RNA)
where:
Base-Base interactions energy: -13.690
where: short stacking energy: -13.690
Base-Backbone interact. energy: -0.001
local terms energy: -23.027507
where:
bonds (distance) C4'-P energy: -3.983
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.928
flat angles P-C4'-P energy: -2.804
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: 9, replica: 4
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -36.834325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.834325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.834325 (E_RNA)
where:
Base-Base interactions energy: -13.481
where: short stacking energy: -13.481
Base-Backbone interact. energy: -0.000
local terms energy: -23.353503
where:
bonds (distance) C4'-P energy: -5.650
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -2.735
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -34.294719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.294719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.294719 (E_RNA)
where:
Base-Base interactions energy: -12.328
where: short stacking energy: -12.328
Base-Backbone interact. energy: -0.004
local terms energy: -21.962604
where:
bonds (distance) C4'-P energy: -4.851
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.017
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -53.450223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.450223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.450223 (E_RNA)
where:
Base-Base interactions energy: -23.854
where: short stacking energy: -23.854
Base-Backbone interact. energy: -0.000
local terms energy: -29.596655
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.538
flat angles P-C4'-P energy: -4.296
tors. eta vs tors. theta energy: -5.663
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: 7
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -51.499233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.499233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.499233 (E_RNA)
where:
Base-Base interactions energy: -24.499
where: short stacking energy: -24.499
Base-Backbone interact. energy: -0.000
local terms energy: -27.000160
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.598
flat angles P-C4'-P energy: -3.592
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -40.673534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.673534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.673534 (E_RNA)
where:
Base-Base interactions energy: -14.923
where: short stacking energy: -14.923
Base-Backbone interact. energy: -0.052
local terms energy: -25.698153
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.499
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -41.720098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.720098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.720098 (E_RNA)
where:
Base-Base interactions energy: -22.155
where: short stacking energy: -12.680
Base-Backbone interact. energy: -0.001
local terms energy: -19.563931
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -5.748
flat angles C4'-P-C4' energy: -5.675
flat angles P-C4'-P energy: -2.257
tors. eta vs tors. theta energy: -0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -42.243820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.243820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.243820 (E_RNA)
where:
Base-Base interactions energy: -17.533
where: short stacking energy: -17.242
Base-Backbone interact. energy: -0.000
local terms energy: -24.710677
where:
bonds (distance) C4'-P energy: -5.253
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -5.425
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -42.250392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.250392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.250392 (E_RNA)
where:
Base-Base interactions energy: -20.954
where: short stacking energy: -20.954
Base-Backbone interact. energy: -0.037
local terms energy: -21.259864
where:
bonds (distance) C4'-P energy: -4.569
bonds (distance) P-C4' energy: -3.877
flat angles C4'-P-C4' energy: -5.831
flat angles P-C4'-P energy: -3.353
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: 7, replica: 1
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -33.094460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.094460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.094460 (E_RNA)
where:
Base-Base interactions energy: -10.809
where: short stacking energy: -8.071
Base-Backbone interact. energy: -0.267
local terms energy: -22.019008
where:
bonds (distance) C4'-P energy: -4.740
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.046
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -38.441499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.441499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.441499 (E_RNA)
where:
Base-Base interactions energy: -16.810
where: short stacking energy: -16.810
Base-Backbone interact. energy: -0.000
local terms energy: -21.631100
where:
bonds (distance) C4'-P energy: -1.448
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -5.742
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -37.771960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.771960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.771960 (E_RNA)
where:
Base-Base interactions energy: -17.640
where: short stacking energy: -17.640
Base-Backbone interact. energy: -0.000
local terms energy: -20.131476
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -4.807
flat angles C4'-P-C4' energy: -5.044
flat angles P-C4'-P energy: 0.600
tors. eta vs tors. theta energy: -5.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -40.730831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.730831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.730831 (E_RNA)
where:
Base-Base interactions energy: -17.115
where: short stacking energy: -17.115
Base-Backbone interact. energy: -0.005
local terms energy: -23.610770
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -4.973
flat angles C4'-P-C4' energy: -5.767
flat angles P-C4'-P energy: -3.177
tors. eta vs tors. theta energy: -4.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -54.193009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.193009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.193009 (E_RNA)
where:
Base-Base interactions energy: -25.373
where: short stacking energy: -25.373
Base-Backbone interact. energy: -0.000
local terms energy: -28.819765
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.848
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -6.371
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: 2, replica: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -41.408215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.408215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.408215 (E_RNA)
where:
Base-Base interactions energy: -15.850
where: short stacking energy: -15.850
Base-Backbone interact. energy: -0.000
local terms energy: -25.557750
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -6.562
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -45.189275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.189275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.189275 (E_RNA)
where:
Base-Base interactions energy: -21.608
where: short stacking energy: -21.608
Base-Backbone interact. energy: -0.000
local terms energy: -23.581688
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -5.469
flat angles C4'-P-C4' energy: -5.033
flat angles P-C4'-P energy: -4.067
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: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -51.353433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.353433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.353433 (E_RNA)
where:
Base-Base interactions energy: -22.448
where: short stacking energy: -22.137
Base-Backbone interact. energy: -0.000
local terms energy: -28.905072
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -5.699
flat angles C4'-P-C4' energy: -6.313
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -7.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -37.573228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.573228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.573228 (E_RNA)
where:
Base-Base interactions energy: -14.480
where: short stacking energy: -11.216
Base-Backbone interact. energy: -0.016
local terms energy: -23.077158
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.167
flat angles P-C4'-P energy: -3.177
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: 6, replica: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -41.382119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.382119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.382119 (E_RNA)
where:
Base-Base interactions energy: -24.869
where: short stacking energy: -11.691
Base-Backbone interact. energy: -0.048
local terms energy: -16.464458
where:
bonds (distance) C4'-P energy: -1.042
bonds (distance) P-C4' energy: -5.438
flat angles C4'-P-C4' energy: -5.300
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -38.501205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.501205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.501205 (E_RNA)
where:
Base-Base interactions energy: -13.587
where: short stacking energy: -13.587
Base-Backbone interact. energy: -0.000
local terms energy: -24.913913
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -5.931
flat angles C4'-P-C4' energy: -6.480
flat angles P-C4'-P energy: -4.234
tors. eta vs tors. theta energy: -2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -32.400390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.400390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.400390 (E_RNA)
where:
Base-Base interactions energy: -13.919
where: short stacking energy: -11.158
Base-Backbone interact. energy: 0.111
local terms energy: -18.592205
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -5.336
flat angles C4'-P-C4' energy: -4.267
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: 1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -38.310799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.310799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.310799 (E_RNA)
where:
Base-Base interactions energy: -15.288
where: short stacking energy: -15.288
Base-Backbone interact. energy: -0.000
local terms energy: -23.023035
where:
bonds (distance) C4'-P energy: -3.671
bonds (distance) P-C4' energy: -6.122
flat angles C4'-P-C4' energy: -3.906
flat angles P-C4'-P energy: -5.125
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: 10, replica: 4
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -38.633185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.633185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.633185 (E_RNA)
where:
Base-Base interactions energy: -21.620
where: short stacking energy: -7.532
Base-Backbone interact. energy: -0.110
local terms energy: -16.903289
where:
bonds (distance) C4'-P energy: -4.744
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -0.800
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -60.395965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.395965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.395965 (E_RNA)
where:
Base-Base interactions energy: -33.059
where: short stacking energy: -18.727
Base-Backbone interact. energy: -0.000
local terms energy: -27.336290
where:
bonds (distance) C4'-P energy: -6.470
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.712
flat angles P-C4'-P energy: -4.426
tors. eta vs tors. theta energy: -3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -54.771282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.771282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.771282 (E_RNA)
where:
Base-Base interactions energy: -24.903
where: short stacking energy: -24.903
Base-Backbone interact. energy: -0.000
local terms energy: -29.868656
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.918
flat angles C4'-P-C4' energy: -6.170
flat angles P-C4'-P energy: -3.430
tors. eta vs tors. theta energy: -7.523
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: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -48.317871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.317871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.317871 (E_RNA)
where:
Base-Base interactions energy: -25.882
where: short stacking energy: -9.206
Base-Backbone interact. energy: -0.002
local terms energy: -22.433593
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -4.953
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -1.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -43.743513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.743513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.743513 (E_RNA)
where:
Base-Base interactions energy: -18.800
where: short stacking energy: -18.800
Base-Backbone interact. energy: -0.000
local terms energy: -24.943398
where:
bonds (distance) C4'-P energy: -4.637
bonds (distance) P-C4' energy: -4.910
flat angles C4'-P-C4' energy: -5.658
flat angles P-C4'-P energy: -5.060
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: 5, replica: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -34.311439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.311439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.311439 (E_RNA)
where:
Base-Base interactions energy: -16.380
where: short stacking energy: -7.990
Base-Backbone interact. energy: -0.082
local terms energy: -17.848908
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -3.504
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: 1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -38.462677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.462677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.462677 (E_RNA)
where:
Base-Base interactions energy: -18.027
where: short stacking energy: -18.027
Base-Backbone interact. energy: -0.001
local terms energy: -20.434751
where:
bonds (distance) C4'-P energy: -5.125
bonds (distance) P-C4' energy: -3.451
flat angles C4'-P-C4' energy: -3.049
flat angles P-C4'-P energy: -3.446
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -46.311042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.311042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.311042 (E_RNA)
where:
Base-Base interactions energy: -27.575
where: short stacking energy: -15.359
Base-Backbone interact. energy: -0.014
local terms energy: -18.721206
where:
bonds (distance) C4'-P energy: -2.624
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.209
flat angles P-C4'-P energy: -4.093
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -39.654944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.654944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.654944 (E_RNA)
where:
Base-Base interactions energy: -15.413
where: short stacking energy: -15.413
Base-Backbone interact. energy: -0.000
local terms energy: -24.241569
where:
bonds (distance) C4'-P energy: -3.762
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -6.103
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: -3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -35.810963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.810963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.810963 (E_RNA)
where:
Base-Base interactions energy: -13.895
where: short stacking energy: -13.895
Base-Backbone interact. energy: -0.000
local terms energy: -21.916217
where:
bonds (distance) C4'-P energy: -5.225
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.694
flat angles P-C4'-P energy: -2.578
tors. eta vs tors. theta energy: -2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -34.884055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.884055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.884055 (E_RNA)
where:
Base-Base interactions energy: -13.208
where: short stacking energy: -13.208
Base-Backbone interact. energy: -0.003
local terms energy: -21.672377
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.509
flat angles C4'-P-C4' energy: -5.778
flat angles P-C4'-P energy: -4.532
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: 8
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -55.088026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.088026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.088026 (E_RNA)
where:
Base-Base interactions energy: -30.624
where: short stacking energy: -18.305
Base-Backbone interact. energy: -0.065
local terms energy: -24.399314
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.887
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -46.582950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.582950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.582950 (E_RNA)
where:
Base-Base interactions energy: -20.563
where: short stacking energy: -20.563
Base-Backbone interact. energy: -0.000
local terms energy: -26.019588
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -4.946
flat angles P-C4'-P energy: -3.856
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -47.811860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.811860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.811860 (E_RNA)
where:
Base-Base interactions energy: -19.528
where: short stacking energy: -19.528
Base-Backbone interact. energy: -0.000
local terms energy: -28.283888
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.095
flat angles P-C4'-P energy: -4.865
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -44.208323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.208323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.208323 (E_RNA)
where:
Base-Base interactions energy: -16.001
where: short stacking energy: -16.001
Base-Backbone interact. energy: -0.000
local terms energy: -28.206867
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.527
flat angles P-C4'-P energy: -3.544
tors. eta vs tors. theta energy: -6.652
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: 39
Temperature: 1.100000
Total energy: -42.818248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.818248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.818248 (E_RNA)
where:
Base-Base interactions energy: -23.397
where: short stacking energy: -11.805
Base-Backbone interact. energy: -0.084
local terms energy: -19.336809
where:
bonds (distance) C4'-P energy: -2.454
bonds (distance) P-C4' energy: -4.122
flat angles C4'-P-C4' energy: -5.761
flat angles P-C4'-P energy: -4.587
tors. eta vs tors. theta energy: -2.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -44.190568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.190568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.190568 (E_RNA)
where:
Base-Base interactions energy: -17.974
where: short stacking energy: -17.974
Base-Backbone interact. energy: -0.000
local terms energy: -26.216357
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -6.153
flat angles C4'-P-C4' energy: -6.052
flat angles P-C4'-P energy: -2.851
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: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -39.435136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.435136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.435136 (E_RNA)
where:
Base-Base interactions energy: -14.696
where: short stacking energy: -14.696
Base-Backbone interact. energy: -0.015
local terms energy: -24.723920
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -4.380
flat angles P-C4'-P energy: -4.397
tors. eta vs tors. theta energy: -4.309
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: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -35.980290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.980290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.980290 (E_RNA)
where:
Base-Base interactions energy: -11.574
where: short stacking energy: -11.574
Base-Backbone interact. energy: -0.033
local terms energy: -24.373375
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -5.781
flat angles P-C4'-P energy: -4.509
tors. eta vs tors. theta energy: -3.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -34.365216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.365216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.365216 (E_RNA)
where:
Base-Base interactions energy: -11.071
where: short stacking energy: -11.071
Base-Backbone interact. energy: -0.012
local terms energy: -23.282335
where:
bonds (distance) C4'-P energy: -4.747
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -6.199
flat angles P-C4'-P energy: -0.564
tors. eta vs tors. theta energy: -4.639
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: 3
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -36.402966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.402966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.402966 (E_RNA)
where:
Base-Base interactions energy: -15.274
where: short stacking energy: -15.274
Base-Backbone interact. energy: -0.000
local terms energy: -21.128536
where:
bonds (distance) C4'-P energy: -3.236
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -3.920
flat angles P-C4'-P energy: -3.005
tors. eta vs tors. theta energy: -4.303
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: 1, replica: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -48.992905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.992905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.992905 (E_RNA)
where:
Base-Base interactions energy: -20.885
where: short stacking energy: -20.885
Base-Backbone interact. energy: -0.000
local terms energy: -28.107547
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.746
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -49.812099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.812099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.812099 (E_RNA)
where:
Base-Base interactions energy: -21.229
where: short stacking energy: -21.229
Base-Backbone interact. energy: -0.000
local terms energy: -28.582821
where:
bonds (distance) C4'-P energy: -6.147
bonds (distance) P-C4' energy: -5.671
flat angles C4'-P-C4' energy: -6.363
flat angles P-C4'-P energy: -4.274
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: 3, replica: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -39.423934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.423934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.423934 (E_RNA)
where:
Base-Base interactions energy: -14.547
where: short stacking energy: -14.547
Base-Backbone interact. energy: -0.048
local terms energy: -24.828794
where:
bonds (distance) C4'-P energy: -4.474
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.837
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -4.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -42.320980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.320980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.320980 (E_RNA)
where:
Base-Base interactions energy: -17.387
where: short stacking energy: -17.387
Base-Backbone interact. energy: -0.000
local terms energy: -24.933493
where:
bonds (distance) C4'-P energy: -6.569
bonds (distance) P-C4' energy: -5.541
flat angles C4'-P-C4' energy: -5.755
flat angles P-C4'-P energy: -3.304
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: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -44.441278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.441278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.441278 (E_RNA)
where:
Base-Base interactions energy: -20.627
where: short stacking energy: -20.627
Base-Backbone interact. energy: -0.000
local terms energy: -23.813833
where:
bonds (distance) C4'-P energy: -5.252
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -3.963
flat angles P-C4'-P energy: -3.749
tors. eta vs tors. theta energy: -5.485
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: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -34.325769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.325769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.325769 (E_RNA)
where:
Base-Base interactions energy: -11.539
where: short stacking energy: -11.539
Base-Backbone interact. energy: -0.099
local terms energy: -22.687455
where:
bonds (distance) C4'-P energy: -6.139
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.435
flat angles P-C4'-P energy: -3.733
tors. eta vs tors. theta energy: 0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -35.167945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.167945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.167945 (E_RNA)
where:
Base-Base interactions energy: -14.474
where: short stacking energy: -14.474
Base-Backbone interact. energy: -0.000
local terms energy: -20.693606
where:
bonds (distance) C4'-P energy: -4.673
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -3.697
flat angles P-C4'-P energy: -2.996
tors. eta vs tors. theta energy: -2.420
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: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -34.731092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.731092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.731092 (E_RNA)
where:
Base-Base interactions energy: -16.164
where: short stacking energy: -10.075
Base-Backbone interact. energy: 0.490
local terms energy: -19.056702
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -3.209
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -0.534
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: 9, replica: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -33.580856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.580856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.580856 (E_RNA)
where:
Base-Base interactions energy: -13.421
where: short stacking energy: -13.421
Base-Backbone interact. energy: -0.055
local terms energy: -20.105559
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -5.408
flat angles P-C4'-P energy: -1.887
tors. eta vs tors. theta energy: 0.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -39.298351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.298351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.298351 (E_RNA)
where:
Base-Base interactions energy: -16.048
where: short stacking energy: -16.048
Base-Backbone interact. energy: -0.014
local terms energy: -23.235797
where:
bonds (distance) C4'-P energy: -5.394
bonds (distance) P-C4' energy: -5.315
flat angles C4'-P-C4' energy: -5.899
flat angles P-C4'-P energy: -2.832
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: 1, replica: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -47.873063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.873063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.873063 (E_RNA)
where:
Base-Base interactions energy: -19.620
where: short stacking energy: -19.620
Base-Backbone interact. energy: -0.000
local terms energy: -28.252697
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: -2.896
tors. eta vs tors. theta energy: -7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -46.814525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.814525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.814525 (E_RNA)
where:
Base-Base interactions energy: -22.400
where: short stacking energy: -22.400
Base-Backbone interact. energy: -0.001
local terms energy: -24.413112
where:
bonds (distance) C4'-P energy: -5.982
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -5.566
flat angles P-C4'-P energy: -2.544
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: 3, replica: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -49.814424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.814424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.814424 (E_RNA)
where:
Base-Base interactions energy: -23.900
where: short stacking energy: -23.900
Base-Backbone interact. energy: -0.000
local terms energy: -25.914119
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -4.943
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -4.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -38.222308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.222308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.222308 (E_RNA)
where:
Base-Base interactions energy: -16.105
where: short stacking energy: -16.105
Base-Backbone interact. energy: -0.044
local terms energy: -22.073227
where:
bonds (distance) C4'-P energy: -4.408
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.072
flat angles P-C4'-P energy: -4.268
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: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -39.181487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.181487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.181487 (E_RNA)
where:
Base-Base interactions energy: -18.496
where: short stacking energy: -18.496
Base-Backbone interact. energy: -0.000
local terms energy: -20.685825
where:
bonds (distance) C4'-P energy: -4.557
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -1.435
flat angles P-C4'-P energy: -3.844
tors. eta vs tors. theta energy: -4.465
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: 41
Temperature: 1.150000
Total energy: -38.063415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.063415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.063415 (E_RNA)
where:
Base-Base interactions energy: -15.886
where: short stacking energy: -11.296
Base-Backbone interact. energy: -0.004
local terms energy: -22.173868
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.080
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: -0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -41.597939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.597939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.597939 (E_RNA)
where:
Base-Base interactions energy: -17.454
where: short stacking energy: -17.454
Base-Backbone interact. energy: -0.000
local terms energy: -24.143859
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.476
flat angles P-C4'-P energy: -2.481
tors. eta vs tors. theta energy: -6.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -32.701521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.701521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.701521 (E_RNA)
where:
Base-Base interactions energy: -14.944
where: short stacking energy: -14.944
Base-Backbone interact. energy: -0.053
local terms energy: -17.704800
where:
bonds (distance) C4'-P energy: -3.912
bonds (distance) P-C4' energy: -6.392
flat angles C4'-P-C4' energy: -4.209
flat angles P-C4'-P energy: -1.531
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -35.638804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.638804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.638804 (E_RNA)
where:
Base-Base interactions energy: -14.971
where: short stacking energy: -14.971
Base-Backbone interact. energy: -0.024
local terms energy: -20.643963
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -4.885
flat angles P-C4'-P energy: -2.591
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: 41
Temperature: 1.350000
Total energy: -38.517685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.517685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.517685 (E_RNA)
where:
Base-Base interactions energy: -16.209
where: short stacking energy: -16.209
Base-Backbone interact. energy: -0.000
local terms energy: -22.308609
where:
bonds (distance) C4'-P energy: -3.689
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.161
flat angles P-C4'-P energy: -1.499
tors. eta vs tors. theta energy: -6.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -49.648195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.648195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.648195 (E_RNA)
where:
Base-Base interactions energy: -22.933
where: short stacking energy: -22.933
Base-Backbone interact. energy: -0.001
local terms energy: -26.714312
where:
bonds (distance) C4'-P energy: -4.691
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -6.834
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -44.644827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.644827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.644827 (E_RNA)
where:
Base-Base interactions energy: -21.447
where: short stacking energy: -21.447
Base-Backbone interact. energy: -0.000
local terms energy: -23.197211
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -4.997
flat angles C4'-P-C4' energy: -5.779
flat angles P-C4'-P energy: -3.323
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -50.518539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.518539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.518539 (E_RNA)
where:
Base-Base interactions energy: -22.049
where: short stacking energy: -22.049
Base-Backbone interact. energy: -0.000
local terms energy: -28.469742
where:
bonds (distance) C4'-P energy: -5.278
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.292
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -46.780820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.780820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.780820 (E_RNA)
where:
Base-Base interactions energy: -18.808
where: short stacking energy: -18.808
Base-Backbone interact. energy: -0.000
local terms energy: -27.973296
where:
bonds (distance) C4'-P energy: -5.017
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.459
flat angles P-C4'-P energy: -4.418
tors. eta vs tors. theta energy: -6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -40.881255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.881255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.881255 (E_RNA)
where:
Base-Base interactions energy: -20.147
where: short stacking energy: -17.977
Base-Backbone interact. energy: -0.014
local terms energy: -20.719947
where:
bonds (distance) C4'-P energy: -4.168
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -5.501
flat angles P-C4'-P energy: -3.543
tors. eta vs tors. theta energy: -2.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -40.262236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.262236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.262236 (E_RNA)
where:
Base-Base interactions energy: -17.420
where: short stacking energy: -17.420
Base-Backbone interact. energy: -0.000
local terms energy: -22.841509
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -3.724
flat angles P-C4'-P energy: -2.622
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: 7, replica: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -30.898228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.898228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.898228 (E_RNA)
where:
Base-Base interactions energy: -14.731
where: short stacking energy: -14.731
Base-Backbone interact. energy: -0.000
local terms energy: -16.167060
where:
bonds (distance) C4'-P energy: -3.505
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -1.183
flat angles P-C4'-P energy: -3.245
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: 8, replica: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -38.460535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.460535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.460535 (E_RNA)
where:
Base-Base interactions energy: -15.321
where: short stacking energy: -15.321
Base-Backbone interact. energy: -0.021
local terms energy: -23.118245
where:
bonds (distance) C4'-P energy: -3.796
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -4.347
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -39.305175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.305175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.305175 (E_RNA)
where:
Base-Base interactions energy: -19.351
where: short stacking energy: -19.351
Base-Backbone interact. energy: -0.001
local terms energy: -19.953595
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -4.018
flat angles P-C4'-P energy: -1.954
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: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -39.278557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.278557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.278557 (E_RNA)
where:
Base-Base interactions energy: -18.422
where: short stacking energy: -12.565
Base-Backbone interact. energy: -0.006
local terms energy: -20.849667
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -5.794
flat angles P-C4'-P energy: -3.188
tors. eta vs tors. theta energy: 1.082
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: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -46.493222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.493222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.493222 (E_RNA)
where:
Base-Base interactions energy: -20.512
where: short stacking energy: -20.512
Base-Backbone interact. energy: -0.000
local terms energy: -25.981596
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.653
flat angles C4'-P-C4' energy: -5.433
flat angles P-C4'-P energy: -2.995
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: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -42.616322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.616322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.616322 (E_RNA)
where:
Base-Base interactions energy: -16.240
where: short stacking energy: -16.240
Base-Backbone interact. energy: -0.001
local terms energy: -26.375422
where:
bonds (distance) C4'-P energy: -5.845
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.332
flat angles P-C4'-P energy: -4.939
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: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -41.658936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.658936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.658936 (E_RNA)
where:
Base-Base interactions energy: -18.382
where: short stacking energy: -12.532
Base-Backbone interact. energy: -0.080
local terms energy: -23.196723
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.085
flat angles C4'-P-C4' energy: -5.403
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -1.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -43.333176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.333176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.333176 (E_RNA)
where:
Base-Base interactions energy: -17.037
where: short stacking energy: -17.037
Base-Backbone interact. energy: -0.000
local terms energy: -26.296356
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.740
flat angles P-C4'-P energy: -3.741
tors. eta vs tors. theta energy: -4.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -40.122898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.122898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.122898 (E_RNA)
where:
Base-Base interactions energy: -18.139
where: short stacking energy: -18.139
Base-Backbone interact. energy: -0.000
local terms energy: -21.984024
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -5.276
flat angles C4'-P-C4' energy: -5.427
flat angles P-C4'-P energy: -2.727
tors. eta vs tors. theta energy: -3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -41.574766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.574766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.574766 (E_RNA)
where:
Base-Base interactions energy: -16.470
where: short stacking energy: -16.470
Base-Backbone interact. energy: -0.024
local terms energy: -25.080316
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.993
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: -4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -34.200386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.200386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.200386 (E_RNA)
where:
Base-Base interactions energy: -11.839
where: short stacking energy: -11.839
Base-Backbone interact. energy: -0.064
local terms energy: -22.296986
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -5.709
flat angles C4'-P-C4' energy: -4.390
flat angles P-C4'-P energy: -3.987
tors. eta vs tors. theta energy: -2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -36.741190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.741190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.741190 (E_RNA)
where:
Base-Base interactions energy: -15.220
where: short stacking energy: -15.220
Base-Backbone interact. energy: -0.026
local terms energy: -21.495540
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -2.205
flat angles C4'-P-C4' energy: -5.746
flat angles P-C4'-P energy: -4.064
tors. eta vs tors. theta energy: -3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -35.006246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.006246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.006246 (E_RNA)
where:
Base-Base interactions energy: -14.882
where: short stacking energy: -14.882
Base-Backbone interact. energy: -0.000
local terms energy: -20.124418
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -5.165
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -2.383
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -34.730020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.730020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.730020 (E_RNA)
where:
Base-Base interactions energy: -8.921
where: short stacking energy: -8.921
Base-Backbone interact. energy: -0.000
local terms energy: -25.808532
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -6.725
flat angles P-C4'-P energy: -3.553
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -45.807232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.807232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.807232 (E_RNA)
where:
Base-Base interactions energy: -21.216
where: short stacking energy: -21.216
Base-Backbone interact. energy: -0.000
local terms energy: -24.590789
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.582
flat angles C4'-P-C4' energy: -3.528
flat angles P-C4'-P energy: -3.690
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -50.260936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.260936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.260936 (E_RNA)
where:
Base-Base interactions energy: -22.451
where: short stacking energy: -22.451
Base-Backbone interact. energy: -0.000
local terms energy: -27.810070
where:
bonds (distance) C4'-P energy: -6.362
bonds (distance) P-C4' energy: -5.886
flat angles C4'-P-C4' energy: -5.811
flat angles P-C4'-P energy: -3.759
tors. eta vs tors. theta energy: -5.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -52.227983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.227983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.227983 (E_RNA)
where:
Base-Base interactions energy: -26.198
where: short stacking energy: -26.198
Base-Backbone interact. energy: -0.000
local terms energy: -26.030231
where:
bonds (distance) C4'-P energy: -3.787
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.448
flat angles P-C4'-P energy: -3.870
tors. eta vs tors. theta energy: -6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -44.370595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.370595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.370595 (E_RNA)
where:
Base-Base interactions energy: -19.215
where: short stacking energy: -19.215
Base-Backbone interact. energy: -0.012
local terms energy: -25.143922
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -5.765
flat angles P-C4'-P energy: -4.802
tors. eta vs tors. theta energy: -3.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -44.257551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.257551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.257551 (E_RNA)
where:
Base-Base interactions energy: -27.614
where: short stacking energy: -14.703
Base-Backbone interact. energy: -0.034
local terms energy: -16.609799
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.181
flat angles P-C4'-P energy: -0.447
tors. eta vs tors. theta energy: 0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -38.973633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.973633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.973633 (E_RNA)
where:
Base-Base interactions energy: -18.755
where: short stacking energy: -13.364
Base-Backbone interact. energy: 0.332
local terms energy: -20.551010
where:
bonds (distance) C4'-P energy: -2.843
bonds (distance) P-C4' energy: -4.530
flat angles C4'-P-C4' energy: -5.864
flat angles P-C4'-P energy: -4.830
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: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -42.594489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.594489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.594489 (E_RNA)
where:
Base-Base interactions energy: -18.459
where: short stacking energy: -17.564
Base-Backbone interact. energy: -0.774
local terms energy: -23.362128
where:
bonds (distance) C4'-P energy: -4.214
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -5.338
flat angles P-C4'-P energy: -4.546
tors. eta vs tors. theta energy: -3.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -32.770917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.770917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.770917 (E_RNA)
where:
Base-Base interactions energy: -12.159
where: short stacking energy: -12.159
Base-Backbone interact. energy: -0.000
local terms energy: -20.611712
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -3.947
flat angles P-C4'-P energy: -3.188
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -36.246501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.246501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.246501 (E_RNA)
where:
Base-Base interactions energy: -15.432
where: short stacking energy: -15.432
Base-Backbone interact. energy: -0.000
local terms energy: -20.814577
where:
bonds (distance) C4'-P energy: -3.812
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -3.433
flat angles P-C4'-P energy: -2.982
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -39.588574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.588574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.588574 (E_RNA)
where:
Base-Base interactions energy: -18.388
where: short stacking energy: -18.388
Base-Backbone interact. energy: -0.000
local terms energy: -21.200905
where:
bonds (distance) C4'-P energy: -4.570
bonds (distance) P-C4' energy: -5.193
flat angles C4'-P-C4' energy: -4.223
flat angles P-C4'-P energy: -1.561
tors. eta vs tors. theta energy: -5.654
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: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -43.888370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.888370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.888370 (E_RNA)
where:
Base-Base interactions energy: -18.598
where: short stacking energy: -18.598
Base-Backbone interact. energy: -0.000
local terms energy: -25.289995
where:
bonds (distance) C4'-P energy: -6.160
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -6.063
flat angles P-C4'-P energy: -1.192
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -47.222187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.222187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.222187 (E_RNA)
where:
Base-Base interactions energy: -21.970
where: short stacking energy: -21.970
Base-Backbone interact. energy: -0.002
local terms energy: -25.250794
where:
bonds (distance) C4'-P energy: -4.040
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -5.713
flat angles P-C4'-P energy: -4.190
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -45.749920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.749920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.749920 (E_RNA)
where:
Base-Base interactions energy: -18.477
where: short stacking energy: -18.477
Base-Backbone interact. energy: -0.000
local terms energy: -27.273079
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.989
flat angles P-C4'-P energy: -2.203
tors. eta vs tors. theta energy: -6.796
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: 10
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -40.714100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.714100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.714100 (E_RNA)
where:
Base-Base interactions energy: -16.041
where: short stacking energy: -16.041
Base-Backbone interact. energy: -0.002
local terms energy: -24.671592
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -5.466
flat angles C4'-P-C4' energy: -5.586
flat angles P-C4'-P energy: -3.619
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: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -35.656526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.656526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.656526 (E_RNA)
where:
Base-Base interactions energy: -14.908
where: short stacking energy: -14.908
Base-Backbone interact. energy: -0.098
local terms energy: -20.651010
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.505
flat angles P-C4'-P energy: -0.551
tors. eta vs tors. theta energy: -0.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -41.829860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.829860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.829860 (E_RNA)
where:
Base-Base interactions energy: -22.450
where: short stacking energy: -11.289
Base-Backbone interact. energy: -0.001
local terms energy: -19.378062
where:
bonds (distance) C4'-P energy: -2.438
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -3.882
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: -2.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -39.178927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.178927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.178927 (E_RNA)
where:
Base-Base interactions energy: -18.934
where: short stacking energy: -8.671
Base-Backbone interact. energy: 0.640
local terms energy: -20.884220
where:
bonds (distance) C4'-P energy: -3.820
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.758
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -36.915491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.915491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.915491 (E_RNA)
where:
Base-Base interactions energy: -12.799
where: short stacking energy: -12.799
Base-Backbone interact. energy: -0.004
local terms energy: -24.112047
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.519
flat angles C4'-P-C4' energy: -6.066
flat angles P-C4'-P energy: -4.262
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -42.603042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.603042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.603042 (E_RNA)
where:
Base-Base interactions energy: -18.224
where: short stacking energy: -18.224
Base-Backbone interact. energy: -0.027
local terms energy: -24.352730
where:
bonds (distance) C4'-P energy: -2.587
bonds (distance) P-C4' energy: -6.128
flat angles C4'-P-C4' energy: -6.638
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -28.522855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.522855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.522855 (E_RNA)
where:
Base-Base interactions energy: -9.463
where: short stacking energy: -8.479
Base-Backbone interact. energy: -0.199
local terms energy: -18.861074
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -5.146
flat angles C4'-P-C4' energy: -5.834
flat angles P-C4'-P energy: -2.689
tors. eta vs tors. theta energy: 0.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -48.701715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.701715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.701715 (E_RNA)
where:
Base-Base interactions energy: -26.869
where: short stacking energy: -14.199
Base-Backbone interact. energy: -0.070
local terms energy: -21.763174
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -5.566
flat angles P-C4'-P energy: -3.810
tors. eta vs tors. theta energy: -0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -44.869842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.869842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.869842 (E_RNA)
where:
Base-Base interactions energy: -18.718
where: short stacking energy: -18.718
Base-Backbone interact. energy: -0.000
local terms energy: -26.151763
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.555
flat angles P-C4'-P energy: -2.983
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -49.442795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.442795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.442795 (E_RNA)
where:
Base-Base interactions energy: -23.480
where: short stacking energy: -23.480
Base-Backbone interact. energy: -0.000
local terms energy: -25.962455
where:
bonds (distance) C4'-P energy: -5.117
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -5.071
flat angles P-C4'-P energy: -2.964
tors. eta vs tors. theta energy: -6.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -42.678218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.678218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.678218 (E_RNA)
where:
Base-Base interactions energy: -18.010
where: short stacking energy: -18.010
Base-Backbone interact. energy: -0.017
local terms energy: -24.650986
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -5.864
flat angles C4'-P-C4' energy: -4.460
flat angles P-C4'-P energy: -4.544
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: 5, replica: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -41.779439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.779439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.779439 (E_RNA)
where:
Base-Base interactions energy: -16.162
where: short stacking energy: -16.162
Base-Backbone interact. energy: -0.000
local terms energy: -25.617652
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -6.124
flat angles C4'-P-C4' energy: -6.077
flat angles P-C4'-P energy: -5.004
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: 6, replica: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -35.425395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.425395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.425395 (E_RNA)
where:
Base-Base interactions energy: -12.736
where: short stacking energy: -12.736
Base-Backbone interact. energy: -0.000
local terms energy: -22.689706
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -5.886
flat angles C4'-P-C4' energy: -6.563
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -34.499693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.499693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.499693 (E_RNA)
where:
Base-Base interactions energy: -12.739
where: short stacking energy: -12.739
Base-Backbone interact. energy: -0.031
local terms energy: -21.728961
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -4.466
flat angles C4'-P-C4' energy: -4.029
flat angles P-C4'-P energy: -4.188
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -35.078622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.078622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.078622 (E_RNA)
where:
Base-Base interactions energy: -13.855
where: short stacking energy: -13.855
Base-Backbone interact. energy: -0.000
local terms energy: -21.223825
where:
bonds (distance) C4'-P energy: -4.330
bonds (distance) P-C4' energy: -4.033
flat angles C4'-P-C4' energy: -3.321
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -4.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -31.169327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.169327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.169327 (E_RNA)
where:
Base-Base interactions energy: -10.566
where: short stacking energy: -10.509
Base-Backbone interact. energy: -0.020
local terms energy: -20.583478
where:
bonds (distance) C4'-P energy: -3.066
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -6.352
flat angles P-C4'-P energy: -2.144
tors. eta vs tors. theta energy: -3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -37.147098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.147098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.147098 (E_RNA)
where:
Base-Base interactions energy: -15.970
where: short stacking energy: -15.970
Base-Backbone interact. energy: -0.000
local terms energy: -21.177211
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.506
flat angles C4'-P-C4' energy: -3.401
flat angles P-C4'-P energy: -2.605
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: 47
Temperature: 0.900000
Total energy: -45.160724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.160724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.160724 (E_RNA)
where:
Base-Base interactions energy: -18.478
where: short stacking energy: -18.478
Base-Backbone interact. energy: -0.012
local terms energy: -26.670515
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -4.395
flat angles C4'-P-C4' energy: -6.205
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -49.150134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.150134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.150134 (E_RNA)
where:
Base-Base interactions energy: -28.043
where: short stacking energy: -17.150
Base-Backbone interact. energy: -0.001
local terms energy: -21.105304
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -5.022
flat angles C4'-P-C4' energy: -5.793
flat angles P-C4'-P energy: -2.531
tors. eta vs tors. theta energy: -1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -39.237611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.237611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.237611 (E_RNA)
where:
Base-Base interactions energy: -13.306
where: short stacking energy: -13.306
Base-Backbone interact. energy: -0.100
local terms energy: -25.831128
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.715
flat angles P-C4'-P energy: -4.349
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -48.607783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.607783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.607783 (E_RNA)
where:
Base-Base interactions energy: -23.409
where: short stacking energy: -23.409
Base-Backbone interact. energy: -0.000
local terms energy: -25.198819
where:
bonds (distance) C4'-P energy: -4.123
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -6.061
flat angles P-C4'-P energy: -2.717
tors. eta vs tors. theta energy: -6.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -40.704010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.704010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.704010 (E_RNA)
where:
Base-Base interactions energy: -18.040
where: short stacking energy: -18.040
Base-Backbone interact. energy: -0.000
local terms energy: -22.663938
where:
bonds (distance) C4'-P energy: -4.993
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.685
flat angles P-C4'-P energy: -1.979
tors. eta vs tors. theta energy: -4.790
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: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -36.423021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.423021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.423021 (E_RNA)
where:
Base-Base interactions energy: -14.514
where: short stacking energy: -14.514
Base-Backbone interact. energy: -0.066
local terms energy: -21.842900
where:
bonds (distance) C4'-P energy: -4.665
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.507
flat angles P-C4'-P energy: -1.289
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -42.010653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.010653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.010653 (E_RNA)
where:
Base-Base interactions energy: -16.286
where: short stacking energy: -16.286
Base-Backbone interact. energy: -0.000
local terms energy: -25.724230
where:
bonds (distance) C4'-P energy: -5.133
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -6.363
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: -2.634
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: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -39.642765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.642765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.642765 (E_RNA)
where:
Base-Base interactions energy: -17.152
where: short stacking energy: -17.152
Base-Backbone interact. energy: -0.001
local terms energy: -22.489066
where:
bonds (distance) C4'-P energy: -4.036
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -5.744
flat angles P-C4'-P energy: -3.654
tors. eta vs tors. theta energy: -3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -33.770232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.770232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.770232 (E_RNA)
where:
Base-Base interactions energy: -10.816
where: short stacking energy: -10.816
Base-Backbone interact. energy: -0.080
local terms energy: -22.873497
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -4.104
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: -2.265
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: 3
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -33.914995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.914995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.914995 (E_RNA)
where:
Base-Base interactions energy: -10.527
where: short stacking energy: -10.527
Base-Backbone interact. energy: -0.000
local terms energy: -23.388365
where:
bonds (distance) C4'-P energy: -4.624
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.533
flat angles P-C4'-P energy: -4.792
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: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -51.587403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.587403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.587403 (E_RNA)
where:
Base-Base interactions energy: -23.885
where: short stacking energy: -23.885
Base-Backbone interact. energy: -0.000
local terms energy: -27.702755
where:
bonds (distance) C4'-P energy: -6.139
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -5.445
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -4.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -59.619549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.619549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.619549 (E_RNA)
where:
Base-Base interactions energy: -32.460
where: short stacking energy: -18.693
Base-Backbone interact. energy: -2.116
local terms energy: -25.043338
where:
bonds (distance) C4'-P energy: -4.363
bonds (distance) P-C4' energy: -5.604
flat angles C4'-P-C4' energy: -6.075
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -4.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -42.441090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.441090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.441090 (E_RNA)
where:
Base-Base interactions energy: -18.424
where: short stacking energy: -18.424
Base-Backbone interact. energy: -0.082
local terms energy: -23.934674
where:
bonds (distance) C4'-P energy: -3.183
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -5.406
flat angles P-C4'-P energy: -4.688
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: 4, replica: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -38.448434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.448434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.448434 (E_RNA)
where:
Base-Base interactions energy: -15.484
where: short stacking energy: -13.477
Base-Backbone interact. energy: 0.471
local terms energy: -23.435331
where:
bonds (distance) C4'-P energy: -4.880
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.892
flat angles P-C4'-P energy: -3.408
tors. eta vs tors. theta energy: -2.376
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: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -41.004001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.004001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.004001 (E_RNA)
where:
Base-Base interactions energy: -17.664
where: short stacking energy: -17.664
Base-Backbone interact. energy: -0.000
local terms energy: -23.339680
where:
bonds (distance) C4'-P energy: -3.601
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.779
flat angles P-C4'-P energy: -1.897
tors. eta vs tors. theta energy: -5.162
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: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -44.770351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.770351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.770351 (E_RNA)
where:
Base-Base interactions energy: -20.338
where: short stacking energy: -13.750
Base-Backbone interact. energy: -1.183
local terms energy: -23.250262
where:
bonds (distance) C4'-P energy: -5.278
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.917
flat angles P-C4'-P energy: -3.255
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -44.722701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.722701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.722701 (E_RNA)
where:
Base-Base interactions energy: -19.891
where: short stacking energy: -19.891
Base-Backbone interact. energy: -0.000
local terms energy: -24.831936
where:
bonds (distance) C4'-P energy: -4.570
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -5.324
flat angles P-C4'-P energy: -3.896
tors. eta vs tors. theta energy: -4.819
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: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -38.604959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.604959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.604959 (E_RNA)
where:
Base-Base interactions energy: -16.294
where: short stacking energy: -16.294
Base-Backbone interact. energy: -0.000
local terms energy: -22.310511
where:
bonds (distance) C4'-P energy: -0.870
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -6.285
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -34.461362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.461362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.461362 (E_RNA)
where:
Base-Base interactions energy: -14.596
where: short stacking energy: -14.497
Base-Backbone interact. energy: -0.001
local terms energy: -19.864051
where:
bonds (distance) C4'-P energy: -4.665
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -1.642
flat angles P-C4'-P energy: -2.854
tors. eta vs tors. theta energy: -3.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -38.955818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.955818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.955818 (E_RNA)
where:
Base-Base interactions energy: -18.145
where: short stacking energy: -18.145
Base-Backbone interact. energy: -0.000
local terms energy: -20.810270
where:
bonds (distance) C4'-P energy: -1.933
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.433
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -2.958
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: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -49.623715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.623715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.623715 (E_RNA)
where:
Base-Base interactions energy: -21.443
where: short stacking energy: -21.443
Base-Backbone interact. energy: -0.000
local terms energy: -28.180183
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.218
flat angles P-C4'-P energy: -5.584
tors. eta vs tors. theta energy: -6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -48.959755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.959755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.959755 (E_RNA)
where:
Base-Base interactions energy: -29.815
where: short stacking energy: -20.103
Base-Backbone interact. energy: -0.000
local terms energy: -19.144928
where:
bonds (distance) C4'-P energy: -2.856
bonds (distance) P-C4' energy: -4.131
flat angles C4'-P-C4' energy: -5.390
flat angles P-C4'-P energy: -3.254
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: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -53.424771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.424771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.424771 (E_RNA)
where:
Base-Base interactions energy: -28.135
where: short stacking energy: -14.718
Base-Backbone interact. energy: -0.090
local terms energy: -25.199713
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -4.717
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -44.302673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.302673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.302673 (E_RNA)
where:
Base-Base interactions energy: -21.657
where: short stacking energy: -21.657
Base-Backbone interact. energy: -0.000
local terms energy: -22.645401
where:
bonds (distance) C4'-P energy: -3.150
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.253
flat angles P-C4'-P energy: -2.251
tors. eta vs tors. theta energy: -4.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -42.197966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.197966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.197966 (E_RNA)
where:
Base-Base interactions energy: -16.163
where: short stacking energy: -16.163
Base-Backbone interact. energy: -0.000
local terms energy: -26.034687
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.676
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -4.111
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: 6, replica: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -36.776223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.776223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.776223 (E_RNA)
where:
Base-Base interactions energy: -14.757
where: short stacking energy: -14.117
Base-Backbone interact. energy: -0.000
local terms energy: -22.018720
where:
bonds (distance) C4'-P energy: -3.431
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.428
flat angles P-C4'-P energy: -3.753
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -32.187380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.187380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.187380 (E_RNA)
where:
Base-Base interactions energy: -11.508
where: short stacking energy: -11.508
Base-Backbone interact. energy: -0.075
local terms energy: -20.604811
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -4.742
flat angles P-C4'-P energy: -1.488
tors. eta vs tors. theta energy: -3.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -32.303272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.303272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.303272 (E_RNA)
where:
Base-Base interactions energy: -13.216
where: short stacking energy: -7.578
Base-Backbone interact. energy: 0.590
local terms energy: -19.677310
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -5.348
flat angles P-C4'-P energy: -2.246
tors. eta vs tors. theta energy: -1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -35.351020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.351020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.351020 (E_RNA)
where:
Base-Base interactions energy: -12.247
where: short stacking energy: -12.247
Base-Backbone interact. energy: -0.000
local terms energy: -23.104356
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -6.358
flat angles C4'-P-C4' energy: -4.689
flat angles P-C4'-P energy: -2.087
tors. eta vs tors. theta energy: -4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -33.614282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.614282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.614282 (E_RNA)
where:
Base-Base interactions energy: -12.979
where: short stacking energy: -12.979
Base-Backbone interact. energy: -0.000
local terms energy: -20.635652
where:
bonds (distance) C4'-P energy: -3.998
bonds (distance) P-C4' energy: -6.365
flat angles C4'-P-C4' energy: -4.783
flat angles P-C4'-P energy: -2.558
tors. eta vs tors. theta energy: -2.932
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: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -45.414440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.414440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.414440 (E_RNA)
where:
Base-Base interactions energy: -19.078
where: short stacking energy: -19.078
Base-Backbone interact. energy: -0.050
local terms energy: -26.286742
where:
bonds (distance) C4'-P energy: -3.874
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -6.310
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -46.984941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.984941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.984941 (E_RNA)
where:
Base-Base interactions energy: -23.843
where: short stacking energy: -10.032
Base-Backbone interact. energy: -0.099
local terms energy: -23.042766
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.818
flat angles P-C4'-P energy: -3.464
tors. eta vs tors. theta energy: -1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -46.400807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.400807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.400807 (E_RNA)
where:
Base-Base interactions energy: -26.496
where: short stacking energy: -11.568
Base-Backbone interact. energy: 1.004
local terms energy: -20.907925
where:
bonds (distance) C4'-P energy: -4.011
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.918
flat angles P-C4'-P energy: -0.920
tors. eta vs tors. theta energy: -3.184
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: 50
Temperature: 1.050000
Total energy: -43.028399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.028399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.028399 (E_RNA)
where:
Base-Base interactions energy: -17.956
where: short stacking energy: -17.956
Base-Backbone interact. energy: -0.000
local terms energy: -25.072407
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -6.364
flat angles C4'-P-C4' energy: -3.537
flat angles P-C4'-P energy: -3.889
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -35.967092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.967092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.967092 (E_RNA)
where:
Base-Base interactions energy: -13.535
where: short stacking energy: -9.921
Base-Backbone interact. energy: -0.022
local terms energy: -22.410115
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.529
flat angles P-C4'-P energy: -2.365
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -42.294459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.294459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.294459 (E_RNA)
where:
Base-Base interactions energy: -18.746
where: short stacking energy: -18.746
Base-Backbone interact. energy: -0.000
local terms energy: -23.548619
where:
bonds (distance) C4'-P energy: -5.651
bonds (distance) P-C4' energy: -4.807
flat angles C4'-P-C4' energy: -3.926
flat angles P-C4'-P energy: -4.343
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: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -41.666502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.666502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.666502 (E_RNA)
where:
Base-Base interactions energy: -18.122
where: short stacking energy: -7.598
Base-Backbone interact. energy: -0.094
local terms energy: -23.450046
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.105
flat angles P-C4'-P energy: -4.335
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -35.339553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.339553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.339553 (E_RNA)
where:
Base-Base interactions energy: -13.810
where: short stacking energy: -8.467
Base-Backbone interact. energy: -0.035
local terms energy: -21.494914
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -5.921
flat angles P-C4'-P energy: -3.128
tors. eta vs tors. theta energy: -2.807
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: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -35.692763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.692763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.692763 (E_RNA)
where:
Base-Base interactions energy: -21.774
where: short stacking energy: -15.824
Base-Backbone interact. energy: -0.061
local terms energy: -13.857973
where:
bonds (distance) C4'-P energy: -2.508
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -2.887
flat angles P-C4'-P energy: -3.802
tors. eta vs tors. theta energy: -0.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -32.475580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.475580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.475580 (E_RNA)
where:
Base-Base interactions energy: -9.591
where: short stacking energy: -9.591
Base-Backbone interact. energy: -0.003
local terms energy: -22.881768
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -5.343
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -48.897001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.897001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.897001 (E_RNA)
where:
Base-Base interactions energy: -23.095
where: short stacking energy: -23.095
Base-Backbone interact. energy: -0.000
local terms energy: -25.802436
where:
bonds (distance) C4'-P energy: -3.986
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -6.803
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -4.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -50.004666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.004666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.004666 (E_RNA)
where:
Base-Base interactions energy: -22.036
where: short stacking energy: -22.036
Base-Backbone interact. energy: -0.000
local terms energy: -27.968820
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -2.044
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -42.317203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.317203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.317203 (E_RNA)
where:
Base-Base interactions energy: -15.818
where: short stacking energy: -15.818
Base-Backbone interact. energy: -0.001
local terms energy: -26.498405
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -5.758
flat angles C4'-P-C4' energy: -4.695
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -35.625868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.625868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.625868 (E_RNA)
where:
Base-Base interactions energy: -12.611
where: short stacking energy: -12.611
Base-Backbone interact. energy: -0.001
local terms energy: -23.013437
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -2.932
flat angles P-C4'-P energy: -3.879
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: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -42.614784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.614784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.614784 (E_RNA)
where:
Base-Base interactions energy: -16.268
where: short stacking energy: -16.268
Base-Backbone interact. energy: -0.011
local terms energy: -26.335476
where:
bonds (distance) C4'-P energy: -4.810
bonds (distance) P-C4' energy: -5.846
flat angles C4'-P-C4' energy: -6.462
flat angles P-C4'-P energy: -4.105
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -40.861544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.861544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.861544 (E_RNA)
where:
Base-Base interactions energy: -16.137
where: short stacking energy: -16.137
Base-Backbone interact. energy: -0.001
local terms energy: -24.723729
where:
bonds (distance) C4'-P energy: -2.599
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.520
flat angles P-C4'-P energy: -4.046
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -39.317181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.317181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.317181 (E_RNA)
where:
Base-Base interactions energy: -13.099
where: short stacking energy: -13.099
Base-Backbone interact. energy: -0.098
local terms energy: -26.120910
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.113
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -2.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -32.938836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.938836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.938836 (E_RNA)
where:
Base-Base interactions energy: -9.782
where: short stacking energy: -9.782
Base-Backbone interact. energy: -0.012
local terms energy: -23.145082
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -5.767
flat angles C4'-P-C4' energy: -5.936
flat angles P-C4'-P energy: -3.026
tors. eta vs tors. theta energy: -2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -34.511637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.511637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.511637 (E_RNA)
where:
Base-Base interactions energy: -13.846
where: short stacking energy: -13.846
Base-Backbone interact. energy: -0.000
local terms energy: -20.664882
where:
bonds (distance) C4'-P energy: -4.615
bonds (distance) P-C4' energy: -5.671
flat angles C4'-P-C4' energy: -6.437
flat angles P-C4'-P energy: -1.224
tors. eta vs tors. theta energy: -2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -32.889818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.889818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.889818 (E_RNA)
where:
Base-Base interactions energy: -9.924
where: short stacking energy: -7.999
Base-Backbone interact. energy: -0.804
local terms energy: -22.162044
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.129
flat angles C4'-P-C4' energy: -4.245
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -45.911727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.911727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.911727 (E_RNA)
where:
Base-Base interactions energy: -21.531
where: short stacking energy: -21.531
Base-Backbone interact. energy: -0.045
local terms energy: -24.336327
where:
bonds (distance) C4'-P energy: -5.365
bonds (distance) P-C4' energy: -6.184
flat angles C4'-P-C4' energy: -5.315
flat angles P-C4'-P energy: -4.031
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: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -45.145235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.145235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.145235 (E_RNA)
where:
Base-Base interactions energy: -20.313
where: short stacking energy: -20.313
Base-Backbone interact. energy: -0.021
local terms energy: -24.810828
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -3.587
flat angles P-C4'-P energy: -3.312
tors. eta vs tors. theta energy: -5.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -48.238160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.238160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.238160 (E_RNA)
where:
Base-Base interactions energy: -22.007
where: short stacking energy: -22.007
Base-Backbone interact. energy: -0.000
local terms energy: -26.231398
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -4.624
flat angles P-C4'-P energy: -1.720
tors. eta vs tors. theta energy: -7.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -40.931966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.931966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.931966 (E_RNA)
where:
Base-Base interactions energy: -16.875
where: short stacking energy: -14.383
Base-Backbone interact. energy: -0.016
local terms energy: -24.041204
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.555
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -0.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -38.680718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.680718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.680718 (E_RNA)
where:
Base-Base interactions energy: -11.912
where: short stacking energy: -11.912
Base-Backbone interact. energy: -0.000
local terms energy: -26.768338
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.878
flat angles P-C4'-P energy: -3.865
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -41.806263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.806263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.806263 (E_RNA)
where:
Base-Base interactions energy: -20.012
where: short stacking energy: -16.598
Base-Backbone interact. energy: -0.006
local terms energy: -21.787809
where:
bonds (distance) C4'-P energy: -3.440
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.937
flat angles P-C4'-P energy: -4.008
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: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -41.627593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.627593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.627593 (E_RNA)
where:
Base-Base interactions energy: -15.922
where: short stacking energy: -15.922
Base-Backbone interact. energy: -0.000
local terms energy: -25.705076
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -4.187
flat angles P-C4'-P energy: -4.240
tors. eta vs tors. theta energy: -4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -32.855451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.855451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.855451 (E_RNA)
where:
Base-Base interactions energy: -11.347
where: short stacking energy: -11.347
Base-Backbone interact. energy: -0.002
local terms energy: -21.506386
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -3.221
flat angles P-C4'-P energy: -2.482
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -38.467858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.467858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.467858 (E_RNA)
where:
Base-Base interactions energy: -17.167
where: short stacking energy: -17.167
Base-Backbone interact. energy: -0.011
local terms energy: -21.289190
where:
bonds (distance) C4'-P energy: -4.106
bonds (distance) P-C4' energy: -5.276
flat angles C4'-P-C4' energy: -4.008
flat angles P-C4'-P energy: -3.169
tors. eta vs tors. theta energy: -4.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -35.139443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.139443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.139443 (E_RNA)
where:
Base-Base interactions energy: -15.224
where: short stacking energy: -15.224
Base-Backbone interact. energy: -0.031
local terms energy: -19.884521
where:
bonds (distance) C4'-P energy: -6.060
bonds (distance) P-C4' energy: -3.091
flat angles C4'-P-C4' energy: -3.511
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: -2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -49.509209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.509209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.509209 (E_RNA)
where:
Base-Base interactions energy: -22.226
where: short stacking energy: -22.226
Base-Backbone interact. energy: -0.000
local terms energy: -27.282835
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.043
flat angles C4'-P-C4' energy: -4.755
flat angles P-C4'-P energy: -3.734
tors. eta vs tors. theta energy: -7.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -47.959241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.959241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.959241 (E_RNA)
where:
Base-Base interactions energy: -22.480
where: short stacking energy: -17.926
Base-Backbone interact. energy: -0.000
local terms energy: -25.479218
where:
bonds (distance) C4'-P energy: -5.729
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.072
flat angles P-C4'-P energy: -4.256
tors. eta vs tors. theta energy: -5.205
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: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -43.863410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.863410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.863410 (E_RNA)
where:
Base-Base interactions energy: -21.209
where: short stacking energy: -21.209
Base-Backbone interact. energy: -0.001
local terms energy: -22.653640
where:
bonds (distance) C4'-P energy: -3.654
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -5.351
flat angles P-C4'-P energy: -3.289
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -46.984370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.984370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.984370 (E_RNA)
where:
Base-Base interactions energy: -20.547
where: short stacking energy: -20.547
Base-Backbone interact. energy: -0.000
local terms energy: -26.437233
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -6.323
flat angles P-C4'-P energy: -4.077
tors. eta vs tors. theta energy: -5.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -40.475866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.475866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.475866 (E_RNA)
where:
Base-Base interactions energy: -22.665
where: short stacking energy: -9.606
Base-Backbone interact. energy: -0.166
local terms energy: -17.645280
where:
bonds (distance) C4'-P energy: -6.147
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -4.824
flat angles P-C4'-P energy: -1.381
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: 6, replica: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -35.806785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.806785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.806785 (E_RNA)
where:
Base-Base interactions energy: -17.746
where: short stacking energy: -8.816
Base-Backbone interact. energy: -0.169
local terms energy: -17.891478
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -3.772
flat angles P-C4'-P energy: -4.548
tors. eta vs tors. theta energy: 2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -33.717736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.717736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.717736 (E_RNA)
where:
Base-Base interactions energy: -11.876
where: short stacking energy: -7.686
Base-Backbone interact. energy: -0.005
local terms energy: -21.837203
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.565
flat angles P-C4'-P energy: -3.285
tors. eta vs tors. theta energy: -0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -35.124578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.124578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.124578 (E_RNA)
where:
Base-Base interactions energy: -17.883
where: short stacking energy: -13.094
Base-Backbone interact. energy: -0.058
local terms energy: -17.183308
where:
bonds (distance) C4'-P energy: -4.665
bonds (distance) P-C4' energy: -4.423
flat angles C4'-P-C4' energy: -6.205
flat angles P-C4'-P energy: 0.805
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -34.597941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.597941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.597941 (E_RNA)
where:
Base-Base interactions energy: -13.900
where: short stacking energy: -13.900
Base-Backbone interact. energy: -0.000
local terms energy: -20.698279
where:
bonds (distance) C4'-P energy: -4.081
bonds (distance) P-C4' energy: -3.576
flat angles C4'-P-C4' energy: -5.363
flat angles P-C4'-P energy: -2.627
tors. eta vs tors. theta energy: -5.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -35.146018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.146018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.146018 (E_RNA)
where:
Base-Base interactions energy: -12.171
where: short stacking energy: -12.171
Base-Backbone interact. energy: -0.012
local terms energy: -22.962868
where:
bonds (distance) C4'-P energy: -3.663
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.114
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: -2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -53.173844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.173844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.173844 (E_RNA)
where:
Base-Base interactions energy: -26.883
where: short stacking energy: -19.527
Base-Backbone interact. energy: -0.399
local terms energy: -25.891886
where:
bonds (distance) C4'-P energy: -4.587
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -5.989
flat angles P-C4'-P energy: -4.842
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: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -44.984198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.984198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.984198 (E_RNA)
where:
Base-Base interactions energy: -18.622
where: short stacking energy: -18.622
Base-Backbone interact. energy: -0.000
local terms energy: -26.362626
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -5.973
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -45.439973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.439973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.439973 (E_RNA)
where:
Base-Base interactions energy: -19.686
where: short stacking energy: -19.686
Base-Backbone interact. energy: -0.000
local terms energy: -25.754018
where:
bonds (distance) C4'-P energy: -4.735
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -4.645
flat angles P-C4'-P energy: -4.434
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: 4, replica: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -41.364031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.364031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.364031 (E_RNA)
where:
Base-Base interactions energy: -18.336
where: short stacking energy: -18.336
Base-Backbone interact. energy: -0.016
local terms energy: -23.011423
where:
bonds (distance) C4'-P energy: -5.071
bonds (distance) P-C4' energy: -5.773
flat angles C4'-P-C4' energy: -5.604
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: -1.606
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: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -40.464803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.464803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.464803 (E_RNA)
where:
Base-Base interactions energy: -15.747
where: short stacking energy: -15.747
Base-Backbone interact. energy: -0.001
local terms energy: -24.717045
where:
bonds (distance) C4'-P energy: -3.982
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.710
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: -4.319
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: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -37.534260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.534260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.534260 (E_RNA)
where:
Base-Base interactions energy: -14.358
where: short stacking energy: -14.358
Base-Backbone interact. energy: -0.000
local terms energy: -23.176479
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.291
flat angles P-C4'-P energy: -2.221
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -33.118522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.118522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.118522 (E_RNA)
where:
Base-Base interactions energy: -8.855
where: short stacking energy: -8.855
Base-Backbone interact. energy: -0.000
local terms energy: -24.263970
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -5.301
flat angles C4'-P-C4' energy: -5.650
flat angles P-C4'-P energy: -4.456
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: 8, replica: 2
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -33.674949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.674949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.674949 (E_RNA)
where:
Base-Base interactions energy: -10.306
where: short stacking energy: -10.306
Base-Backbone interact. energy: -0.000
local terms energy: -23.368929
where:
bonds (distance) C4'-P energy: -6.098
bonds (distance) P-C4' energy: -4.621
flat angles C4'-P-C4' energy: -5.976
flat angles P-C4'-P energy: -4.206
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: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -35.535842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.535842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.535842 (E_RNA)
where:
Base-Base interactions energy: -11.615
where: short stacking energy: -11.615
Base-Backbone interact. energy: -0.000
local terms energy: -23.920925
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -3.371
flat angles P-C4'-P energy: -4.324
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: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -36.585792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.585792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.585792 (E_RNA)
where:
Base-Base interactions energy: -14.513
where: short stacking energy: -10.763
Base-Backbone interact. energy: -0.000
local terms energy: -22.073248
where:
bonds (distance) C4'-P energy: -4.727
bonds (distance) P-C4' energy: -5.165
flat angles C4'-P-C4' energy: -3.969
flat angles P-C4'-P energy: -4.057
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -47.584455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.584455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.584455 (E_RNA)
where:
Base-Base interactions energy: -20.412
where: short stacking energy: -20.412
Base-Backbone interact. energy: -0.367
local terms energy: -26.805576
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -6.397
flat angles P-C4'-P energy: -4.102
tors. eta vs tors. theta energy: -3.792
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: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -46.199999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.199999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.199999 (E_RNA)
where:
Base-Base interactions energy: -19.995
where: short stacking energy: -19.995
Base-Backbone interact. energy: -0.000
local terms energy: -26.205087
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -5.748
flat angles P-C4'-P energy: -4.424
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: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -43.935011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.935011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.935011 (E_RNA)
where:
Base-Base interactions energy: -22.044
where: short stacking energy: -20.500
Base-Backbone interact. energy: -0.052
local terms energy: -21.839692
where:
bonds (distance) C4'-P energy: -3.734
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.023
flat angles P-C4'-P energy: -2.359
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: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -53.624407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.624407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.624407 (E_RNA)
where:
Base-Base interactions energy: -25.681
where: short stacking energy: -25.681
Base-Backbone interact. energy: -0.000
local terms energy: -27.943445
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -4.969
flat angles P-C4'-P energy: -3.169
tors. eta vs tors. theta energy: -6.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -40.998891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.998891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.998891 (E_RNA)
where:
Base-Base interactions energy: -17.881
where: short stacking energy: -17.881
Base-Backbone interact. energy: -0.000
local terms energy: -23.118175
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -5.400
flat angles P-C4'-P energy: -3.487
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: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -51.026024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.026024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.026024 (E_RNA)
where:
Base-Base interactions energy: -27.101
where: short stacking energy: -11.242
Base-Backbone interact. energy: -0.095
local terms energy: -23.830309
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -4.325
flat angles P-C4'-P energy: -4.652
tors. eta vs tors. theta energy: -3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -35.965520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.965520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.965520 (E_RNA)
where:
Base-Base interactions energy: -11.821
where: short stacking energy: -11.821
Base-Backbone interact. energy: -0.000
local terms energy: -24.144364
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -4.560
flat angles C4'-P-C4' energy: -5.876
flat angles P-C4'-P energy: -3.938
tors. eta vs tors. theta energy: -3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -35.652090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.652090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.652090 (E_RNA)
where:
Base-Base interactions energy: -12.330
where: short stacking energy: -12.330
Base-Backbone interact. energy: -0.000
local terms energy: -23.322497
where:
bonds (distance) C4'-P energy: -4.383
bonds (distance) P-C4' energy: -5.758
flat angles C4'-P-C4' energy: -4.556
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -37.512290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.512290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.512290 (E_RNA)
where:
Base-Base interactions energy: -11.444
where: short stacking energy: -11.444
Base-Backbone interact. energy: -0.000
local terms energy: -26.068039
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.202
flat angles P-C4'-P energy: -3.480
tors. eta vs tors. theta energy: -4.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -34.433673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.433673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.433673 (E_RNA)
where:
Base-Base interactions energy: -13.566
where: short stacking energy: -11.882
Base-Backbone interact. energy: -0.003
local terms energy: -20.865170
where:
bonds (distance) C4'-P energy: -3.468
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -5.098
flat angles P-C4'-P energy: -3.851
tors. eta vs tors. theta energy: -2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -40.620060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.620060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.620060 (E_RNA)
where:
Base-Base interactions energy: -14.656
where: short stacking energy: -14.656
Base-Backbone interact. energy: -0.000
local terms energy: -25.963958
where:
bonds (distance) C4'-P energy: -5.100
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -6.818
flat angles P-C4'-P energy: -2.895
tors. eta vs tors. theta energy: -4.697
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: 8
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -44.503212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.503212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.503212 (E_RNA)
where:
Base-Base interactions energy: -23.055
where: short stacking energy: -11.157
Base-Backbone interact. energy: -0.008
local terms energy: -21.439282
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.395
flat angles C4'-P-C4' energy: -5.252
flat angles P-C4'-P energy: -3.677
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -45.077453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.077453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.077453 (E_RNA)
where:
Base-Base interactions energy: -19.455
where: short stacking energy: -19.455
Base-Backbone interact. energy: -0.000
local terms energy: -25.622120
where:
bonds (distance) C4'-P energy: -5.323
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -4.569
flat angles P-C4'-P energy: -5.194
tors. eta vs tors. theta energy: -3.919
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: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -44.658004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.658004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.658004 (E_RNA)
where:
Base-Base interactions energy: -19.898
where: short stacking energy: -19.898
Base-Backbone interact. energy: -0.000
local terms energy: -24.759742
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -3.896
flat angles P-C4'-P energy: -3.352
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -51.505791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.505791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.505791 (E_RNA)
where:
Base-Base interactions energy: -29.362
where: short stacking energy: -18.061
Base-Backbone interact. energy: -0.007
local terms energy: -22.137446
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -5.557
flat angles P-C4'-P energy: -3.865
tors. eta vs tors. theta energy: -0.870
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: 6, replica: 1
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -40.220503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.220503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.220503 (E_RNA)
where:
Base-Base interactions energy: -14.946
where: short stacking energy: -14.946
Base-Backbone interact. energy: -0.011
local terms energy: -25.264260
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.867
flat angles P-C4'-P energy: -4.732
tors. eta vs tors. theta energy: -2.185
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: 2
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -32.384080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.384080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.384080 (E_RNA)
where:
Base-Base interactions energy: -10.153
where: short stacking energy: -9.900
Base-Backbone interact. energy: -0.000
local terms energy: -22.230524
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -5.763
flat angles C4'-P-C4' energy: -6.343
flat angles P-C4'-P energy: -2.658
tors. eta vs tors. theta energy: -2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -38.876311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.876311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.876311 (E_RNA)
where:
Base-Base interactions energy: -15.972
where: short stacking energy: -15.972
Base-Backbone interact. energy: -0.000
local terms energy: -22.903642
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -2.942
flat angles P-C4'-P energy: -3.986
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -32.761692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.761692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.761692 (E_RNA)
where:
Base-Base interactions energy: -16.256
where: short stacking energy: -4.779
Base-Backbone interact. energy: -0.051
local terms energy: -16.454234
where:
bonds (distance) C4'-P energy: -2.917
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -5.694
flat angles P-C4'-P energy: -2.115
tors. eta vs tors. theta energy: -0.579
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: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -34.151132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.151132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.151132 (E_RNA)
where:
Base-Base interactions energy: -12.768
where: short stacking energy: -12.768
Base-Backbone interact. energy: -0.001
local terms energy: -21.382274
where:
bonds (distance) C4'-P energy: -2.578
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.533
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: -1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -51.992793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.992793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.992793 (E_RNA)
where:
Base-Base interactions energy: -28.027
where: short stacking energy: -15.970
Base-Backbone interact. energy: -0.041
local terms energy: -23.925667
where:
bonds (distance) C4'-P energy: -5.724
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.859
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -51.361229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.361229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.361229 (E_RNA)
where:
Base-Base interactions energy: -21.483
where: short stacking energy: -21.483
Base-Backbone interact. energy: -0.000
local terms energy: -29.878583
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.733
flat angles P-C4'-P energy: -4.612
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: 3, replica: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -48.466033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.466033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.466033 (E_RNA)
where:
Base-Base interactions energy: -27.213
where: short stacking energy: -14.431
Base-Backbone interact. energy: -0.074
local terms energy: -21.178444
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -4.895
flat angles P-C4'-P energy: -2.037
tors. eta vs tors. theta energy: -2.400
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: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -40.522060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.522060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.522060 (E_RNA)
where:
Base-Base interactions energy: -16.227
where: short stacking energy: -16.227
Base-Backbone interact. energy: -0.069
local terms energy: -24.225257
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -4.825
flat angles P-C4'-P energy: -2.337
tors. eta vs tors. theta energy: -4.622
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: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -37.574449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.574449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.574449 (E_RNA)
where:
Base-Base interactions energy: -14.208
where: short stacking energy: -14.208
Base-Backbone interact. energy: -0.000
local terms energy: -23.366228
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -3.478
flat angles P-C4'-P energy: -3.899
tors. eta vs tors. theta energy: -3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -34.174897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.174897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.174897 (E_RNA)
where:
Base-Base interactions energy: -12.273
where: short stacking energy: -12.273
Base-Backbone interact. energy: -0.005
local terms energy: -21.897577
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -3.594
flat angles P-C4'-P energy: -2.859
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: 7, replica: 1
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -41.767463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.767463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.767463 (E_RNA)
where:
Base-Base interactions energy: -17.083
where: short stacking energy: -17.083
Base-Backbone interact. energy: -0.000
local terms energy: -24.684350
where:
bonds (distance) C4'-P energy: -4.727
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -6.131
flat angles P-C4'-P energy: -3.223
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -34.718616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.718616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.718616 (E_RNA)
where:
Base-Base interactions energy: -11.172
where: short stacking energy: -11.172
Base-Backbone interact. energy: -0.000
local terms energy: -23.546723
where:
bonds (distance) C4'-P energy: -4.983
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -6.111
flat angles P-C4'-P energy: -3.583
tors. eta vs tors. theta energy: -3.357
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: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -31.657163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.657163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.657163 (E_RNA)
where:
Base-Base interactions energy: -8.976
where: short stacking energy: -8.976
Base-Backbone interact. energy: -0.098
local terms energy: -22.583890
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -2.928
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: -2.472
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: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -34.702810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.702810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.702810 (E_RNA)
where:
Base-Base interactions energy: -13.449
where: short stacking energy: -13.449
Base-Backbone interact. energy: -0.097
local terms energy: -21.155986
where:
bonds (distance) C4'-P energy: -5.589
bonds (distance) P-C4' energy: -6.914
flat angles C4'-P-C4' energy: -3.708
flat angles P-C4'-P energy: -0.761
tors. eta vs tors. theta energy: -4.184
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: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -52.892997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.892997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.892997 (E_RNA)
where:
Base-Base interactions energy: -23.844
where: short stacking energy: -23.570
Base-Backbone interact. energy: -0.365
local terms energy: -28.684186
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -5.476
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -52.859746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.859746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.859746 (E_RNA)
where:
Base-Base interactions energy: -30.741
where: short stacking energy: -16.982
Base-Backbone interact. energy: -0.019
local terms energy: -22.099593
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -3.778
flat angles P-C4'-P energy: -4.774
tors. eta vs tors. theta energy: -1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -45.432195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.432195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.432195 (E_RNA)
where:
Base-Base interactions energy: -20.995
where: short stacking energy: -20.995
Base-Backbone interact. energy: -0.000
local terms energy: -24.436720
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.365
flat angles P-C4'-P energy: -0.707
tors. eta vs tors. theta energy: -6.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -44.823109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.823109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.823109 (E_RNA)
where:
Base-Base interactions energy: -24.368
where: short stacking energy: -13.418
Base-Backbone interact. energy: -0.042
local terms energy: -20.413492
where:
bonds (distance) C4'-P energy: -3.319
bonds (distance) P-C4' energy: -5.374
flat angles C4'-P-C4' energy: -5.830
flat angles P-C4'-P energy: -2.547
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: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -39.237463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.237463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.237463 (E_RNA)
where:
Base-Base interactions energy: -16.896
where: short stacking energy: -16.896
Base-Backbone interact. energy: -0.000
local terms energy: -22.341851
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -6.480
flat angles P-C4'-P energy: -1.761
tors. eta vs tors. theta energy: -2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -35.054743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.054743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.054743 (E_RNA)
where:
Base-Base interactions energy: -13.327
where: short stacking energy: -13.327
Base-Backbone interact. energy: -0.003
local terms energy: -21.724622
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.146
flat angles C4'-P-C4' energy: -5.119
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: -1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -38.389405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.389405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.389405 (E_RNA)
where:
Base-Base interactions energy: -16.076
where: short stacking energy: -16.076
Base-Backbone interact. energy: -0.000
local terms energy: -22.313056
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -5.080
flat angles C4'-P-C4' energy: -4.918
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: -3.053
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: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -36.989130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.989130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.989130 (E_RNA)
where:
Base-Base interactions energy: -12.648
where: short stacking energy: -12.648
Base-Backbone interact. energy: -0.000
local terms energy: -24.341038
where:
bonds (distance) C4'-P energy: -5.225
bonds (distance) P-C4' energy: -3.124
flat angles C4'-P-C4' energy: -5.795
flat angles P-C4'-P energy: -3.779
tors. eta vs tors. theta energy: -6.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -37.956947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.956947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.956947 (E_RNA)
where:
Base-Base interactions energy: -20.113
where: short stacking energy: -12.968
Base-Backbone interact. energy: -0.005
local terms energy: -17.838054
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.413
flat angles C4'-P-C4' energy: -4.438
flat angles P-C4'-P energy: -0.811
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: 10, replica: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -38.461290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.461290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.461290 (E_RNA)
where:
Base-Base interactions energy: -16.697
where: short stacking energy: -16.697
Base-Backbone interact. energy: -0.001
local terms energy: -21.762778
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.722
flat angles P-C4'-P energy: -2.680
tors. eta vs tors. theta energy: -1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -52.204276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.204276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.204276 (E_RNA)
where:
Base-Base interactions energy: -23.146
where: short stacking energy: -23.146
Base-Backbone interact. energy: -0.000
local terms energy: -29.058740
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.516
flat angles C4'-P-C4' energy: -6.224
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -6.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -50.285478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.285478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.285478 (E_RNA)
where:
Base-Base interactions energy: -22.162
where: short stacking energy: -22.162
Base-Backbone interact. energy: -0.000
local terms energy: -28.123940
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.149
flat angles C4'-P-C4' energy: -6.466
flat angles P-C4'-P energy: -2.945
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: 3, replica: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -48.610307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.610307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.610307 (E_RNA)
where:
Base-Base interactions energy: -19.986
where: short stacking energy: -19.986
Base-Backbone interact. energy: -0.000
local terms energy: -28.624085
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -6.443
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -36.199078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.199078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.199078 (E_RNA)
where:
Base-Base interactions energy: -11.203
where: short stacking energy: -11.076
Base-Backbone interact. energy: -0.034
local terms energy: -24.962566
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.255
flat angles P-C4'-P energy: -3.300
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: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -47.503585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.503585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.503585 (E_RNA)
where:
Base-Base interactions energy: -21.567
where: short stacking energy: -21.567
Base-Backbone interact. energy: -0.000
local terms energy: -25.936467
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.491
flat angles C4'-P-C4' energy: -6.087
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -4.771
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: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -41.779605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.779605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.779605 (E_RNA)
where:
Base-Base interactions energy: -17.834
where: short stacking energy: -17.496
Base-Backbone interact. energy: -0.001
local terms energy: -23.944267
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.431
flat angles P-C4'-P energy: -2.229
tors. eta vs tors. theta energy: -3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -36.746400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.746400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.746400 (E_RNA)
where:
Base-Base interactions energy: -16.388
where: short stacking energy: -10.956
Base-Backbone interact. energy: -0.000
local terms energy: -20.358154
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.845
flat angles P-C4'-P energy: -0.757
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -38.739005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.739005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.739005 (E_RNA)
where:
Base-Base interactions energy: -15.948
where: short stacking energy: -15.948
Base-Backbone interact. energy: 1.012
local terms energy: -23.803145
where:
bonds (distance) C4'-P energy: -4.888
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -3.760
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -35.583818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.583818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.583818 (E_RNA)
where:
Base-Base interactions energy: -16.861
where: short stacking energy: -7.636
Base-Backbone interact. energy: -0.097
local terms energy: -18.626376
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -3.428
flat angles P-C4'-P energy: -3.961
tors. eta vs tors. theta energy: 0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -33.038318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.038318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.038318 (E_RNA)
where:
Base-Base interactions energy: -10.560
where: short stacking energy: -10.560
Base-Backbone interact. energy: -0.022
local terms energy: -22.456164
where:
bonds (distance) C4'-P energy: -5.688
bonds (distance) P-C4' energy: -5.773
flat angles C4'-P-C4' energy: -6.277
flat angles P-C4'-P energy: -2.833
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -42.189037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.189037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.189037 (E_RNA)
where:
Base-Base interactions energy: -16.904
where: short stacking energy: -16.904
Base-Backbone interact. energy: -1.104
local terms energy: -24.180930
where:
bonds (distance) C4'-P energy: -3.307
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.550
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -3.389
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: 60
Temperature: 0.950000
Total energy: -59.016041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.016041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.016041 (E_RNA)
where:
Base-Base interactions energy: -32.296
where: short stacking energy: -18.124
Base-Backbone interact. energy: -0.221
local terms energy: -26.499183
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -5.280
flat angles P-C4'-P energy: -5.112
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -41.934257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.934257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.934257 (E_RNA)
where:
Base-Base interactions energy: -22.359
where: short stacking energy: -17.755
Base-Backbone interact. energy: -0.086
local terms energy: -19.489732
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -5.870
flat angles C4'-P-C4' energy: -3.950
flat angles P-C4'-P energy: -0.364
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: 4, replica: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -38.055933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.055933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.055933 (E_RNA)
where:
Base-Base interactions energy: -14.910
where: short stacking energy: -14.494
Base-Backbone interact. energy: 0.189
local terms energy: -23.334928
where:
bonds (distance) C4'-P energy: -3.874
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.829
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: -1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -38.090762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.090762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.090762 (E_RNA)
where:
Base-Base interactions energy: -13.902
where: short stacking energy: -13.902
Base-Backbone interact. energy: -0.000
local terms energy: -24.189201
where:
bonds (distance) C4'-P energy: -2.690
bonds (distance) P-C4' energy: -6.371
flat angles C4'-P-C4' energy: -6.520
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -49.035971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.035971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.035971 (E_RNA)
where:
Base-Base interactions energy: -22.404
where: short stacking energy: -22.404
Base-Backbone interact. energy: -0.000
local terms energy: -26.632228
where:
bonds (distance) C4'-P energy: -4.649
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -6.149
flat angles P-C4'-P energy: -3.397
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -35.053049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.053049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.053049 (E_RNA)
where:
Base-Base interactions energy: -12.644
where: short stacking energy: -12.644
Base-Backbone interact. energy: -0.011
local terms energy: -22.398710
where:
bonds (distance) C4'-P energy: -5.340
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -5.479
flat angles P-C4'-P energy: -1.966
tors. eta vs tors. theta energy: -3.632
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: 2
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -35.363035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.363035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.363035 (E_RNA)
where:
Base-Base interactions energy: -11.387
where: short stacking energy: -11.387
Base-Backbone interact. energy: -0.015
local terms energy: -23.961364
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -4.948
flat angles C4'-P-C4' energy: -5.824
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -34.456216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.456216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.456216 (E_RNA)
where:
Base-Base interactions energy: -11.759
where: short stacking energy: -11.759
Base-Backbone interact. energy: 0.821
local terms energy: -23.518228
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -5.545
flat angles P-C4'-P energy: -2.394
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: 1
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -31.931350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.931350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.931350 (E_RNA)
where:
Base-Base interactions energy: -11.311
where: short stacking energy: -11.311
Base-Backbone interact. energy: -0.000
local terms energy: -20.620418
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -4.227
flat angles C4'-P-C4' energy: -5.881
flat angles P-C4'-P energy: -3.091
tors. eta vs tors. theta energy: -1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -48.021969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.021969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.021969 (E_RNA)
where:
Base-Base interactions energy: -21.650
where: short stacking energy: -16.776
Base-Backbone interact. energy: -0.065
local terms energy: -26.307906
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.646
flat angles P-C4'-P energy: -3.619
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: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -45.619056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.619056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.619056 (E_RNA)
where:
Base-Base interactions energy: -18.147
where: short stacking energy: -18.147
Base-Backbone interact. energy: -0.000
local terms energy: -27.472327
where:
bonds (distance) C4'-P energy: -5.315
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.392
flat angles P-C4'-P energy: -4.562
tors. eta vs tors. theta energy: -5.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -51.143758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.143758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.143758 (E_RNA)
where:
Base-Base interactions energy: -29.076
where: short stacking energy: -15.140
Base-Backbone interact. energy: -0.034
local terms energy: -22.032917
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -5.108
flat angles P-C4'-P energy: -2.022
tors. eta vs tors. theta energy: -2.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -42.766786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.766786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.766786 (E_RNA)
where:
Base-Base interactions energy: -19.193
where: short stacking energy: -19.193
Base-Backbone interact. energy: -0.000
local terms energy: -23.573235
where:
bonds (distance) C4'-P energy: -4.631
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -3.763
flat angles P-C4'-P energy: -5.028
tors. eta vs tors. theta energy: -4.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -42.945304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.945304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.945304 (E_RNA)
where:
Base-Base interactions energy: -24.865
where: short stacking energy: -7.293
Base-Backbone interact. energy: -0.050
local terms energy: -18.030498
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -5.152
flat angles P-C4'-P energy: -2.456
tors. eta vs tors. theta energy: -0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -42.664226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.664226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.664226 (E_RNA)
where:
Base-Base interactions energy: -21.467
where: short stacking energy: -21.467
Base-Backbone interact. energy: -0.007
local terms energy: -21.190754
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -2.007
flat angles C4'-P-C4' energy: -5.636
flat angles P-C4'-P energy: -3.954
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -38.900450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.900450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.900450 (E_RNA)
where:
Base-Base interactions energy: -15.395
where: short stacking energy: -15.395
Base-Backbone interact. energy: -0.000
local terms energy: -23.505120
where:
bonds (distance) C4'-P energy: -2.826
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.780
flat angles P-C4'-P energy: -4.395
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -41.262180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.262180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.262180 (E_RNA)
where:
Base-Base interactions energy: -20.912
where: short stacking energy: -9.597
Base-Backbone interact. energy: -0.006
local terms energy: -20.343912
where:
bonds (distance) C4'-P energy: -5.286
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -4.949
flat angles P-C4'-P energy: -4.172
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: 9, replica: 2
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -41.463610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.463610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.463610 (E_RNA)
where:
Base-Base interactions energy: -15.985
where: short stacking energy: -15.985
Base-Backbone interact. energy: -0.000
local terms energy: -25.478232
where:
bonds (distance) C4'-P energy: -5.626
bonds (distance) P-C4' energy: -5.315
flat angles C4'-P-C4' energy: -4.969
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -5.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -32.709016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.709016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.709016 (E_RNA)
where:
Base-Base interactions energy: -12.313
where: short stacking energy: -8.780
Base-Backbone interact. energy: -0.063
local terms energy: -20.332995
where:
bonds (distance) C4'-P energy: -3.882
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -5.767
flat angles P-C4'-P energy: -3.268
tors. eta vs tors. theta energy: -0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -55.468356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.468356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.468356 (E_RNA)
where:
Base-Base interactions energy: -33.028
where: short stacking energy: -19.120
Base-Backbone interact. energy: -0.069
local terms energy: -22.370951
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -6.180
flat angles P-C4'-P energy: -3.320
tors. eta vs tors. theta energy: -0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -46.416677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.416677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.416677 (E_RNA)
where:
Base-Base interactions energy: -26.392
where: short stacking energy: -17.096
Base-Backbone interact. energy: -0.055
local terms energy: -19.969895
where:
bonds (distance) C4'-P energy: -4.996
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -2.718
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -49.520281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.520281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.520281 (E_RNA)
where:
Base-Base interactions energy: -23.205
where: short stacking energy: -23.205
Base-Backbone interact. energy: -0.001
local terms energy: -26.314753
where:
bonds (distance) C4'-P energy: -2.905
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.832
flat angles P-C4'-P energy: -3.303
tors. eta vs tors. theta energy: -7.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -46.194418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.194418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.194418 (E_RNA)
where:
Base-Base interactions energy: -20.753
where: short stacking energy: -20.549
Base-Backbone interact. energy: -0.000
local terms energy: -25.440970
where:
bonds (distance) C4'-P energy: -3.435
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -4.617
flat angles P-C4'-P energy: -2.801
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: 5, replica: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -37.352337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.352337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.352337 (E_RNA)
where:
Base-Base interactions energy: -13.225
where: short stacking energy: -13.225
Base-Backbone interact. energy: -0.000
local terms energy: -24.126740
where:
bonds (distance) C4'-P energy: -6.462
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -6.245
flat angles P-C4'-P energy: -3.730
tors. eta vs tors. theta energy: -1.040
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: 9
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -33.896667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.896667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.896667 (E_RNA)
where:
Base-Base interactions energy: -13.011
where: short stacking energy: -13.011
Base-Backbone interact. energy: -0.027
local terms energy: -20.858626
where:
bonds (distance) C4'-P energy: -3.208
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.812
flat angles P-C4'-P energy: -2.645
tors. eta vs tors. theta energy: -2.547
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: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -34.126011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.126011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.126011 (E_RNA)
where:
Base-Base interactions energy: -10.656
where: short stacking energy: -10.656
Base-Backbone interact. energy: -0.000
local terms energy: -23.469572
where:
bonds (distance) C4'-P energy: -3.033
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -5.903
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -33.810494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.810494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.810494 (E_RNA)
where:
Base-Base interactions energy: -13.872
where: short stacking energy: -13.872
Base-Backbone interact. energy: -0.020
local terms energy: -19.918828
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -3.508
flat angles C4'-P-C4' energy: -5.323
flat angles P-C4'-P energy: -4.659
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: 9, replica: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -38.900442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.900442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.900442 (E_RNA)
where:
Base-Base interactions energy: -15.522
where: short stacking energy: -15.522
Base-Backbone interact. energy: -0.000
local terms energy: -23.378676
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -5.442
flat angles C4'-P-C4' energy: -4.941
flat angles P-C4'-P energy: -3.724
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: 10, replica: 2
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -32.441812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.441812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.441812 (E_RNA)
where:
Base-Base interactions energy: -15.462
where: short stacking energy: -15.462
Base-Backbone interact. energy: -0.001
local terms energy: -16.978559
where:
bonds (distance) C4'-P energy: -2.252
bonds (distance) P-C4' energy: -5.730
flat angles C4'-P-C4' energy: -1.545
flat angles P-C4'-P energy: -3.381
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -54.419087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.419087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.419087 (E_RNA)
where:
Base-Base interactions energy: -24.919
where: short stacking energy: -24.919
Base-Backbone interact. energy: -0.000
local terms energy: -29.499848
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -5.321
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -45.456106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.456106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.456106 (E_RNA)
where:
Base-Base interactions energy: -22.123
where: short stacking energy: -22.123
Base-Backbone interact. energy: -0.000
local terms energy: -23.332946
where:
bonds (distance) C4'-P energy: -2.616
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.884
flat angles P-C4'-P energy: -4.587
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -54.868501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.868501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.868501 (E_RNA)
where:
Base-Base interactions energy: -31.923
where: short stacking energy: -16.668
Base-Backbone interact. energy: -0.084
local terms energy: -22.861854
where:
bonds (distance) C4'-P energy: -5.278
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.740
flat angles P-C4'-P energy: -2.866
tors. eta vs tors. theta energy: -3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -38.336379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.336379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.336379 (E_RNA)
where:
Base-Base interactions energy: -12.406
where: short stacking energy: -12.406
Base-Backbone interact. energy: -0.002
local terms energy: -25.928602
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -6.377
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -48.992564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.992564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.992564 (E_RNA)
where:
Base-Base interactions energy: -25.862
where: short stacking energy: -16.685
Base-Backbone interact. energy: 2.118
local terms energy: -25.248856
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.339
flat angles P-C4'-P energy: -4.406
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -41.599635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.599635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.599635 (E_RNA)
where:
Base-Base interactions energy: -17.245
where: short stacking energy: -17.245
Base-Backbone interact. energy: -0.002
local terms energy: -24.352134
where:
bonds (distance) C4'-P energy: -4.380
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.980
flat angles P-C4'-P energy: -3.418
tors. eta vs tors. theta energy: -4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -39.392639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.392639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.392639 (E_RNA)
where:
Base-Base interactions energy: -17.066
where: short stacking energy: -17.066
Base-Backbone interact. energy: -0.008
local terms energy: -22.318672
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.218
flat angles P-C4'-P energy: -2.926
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -35.100557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.100557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.100557 (E_RNA)
where:
Base-Base interactions energy: -13.464
where: short stacking energy: -13.390
Base-Backbone interact. energy: -0.007
local terms energy: -21.629978
where:
bonds (distance) C4'-P energy: -4.458
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.339
flat angles P-C4'-P energy: -3.443
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: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -39.260918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.260918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.260918 (E_RNA)
where:
Base-Base interactions energy: -15.715
where: short stacking energy: -15.715
Base-Backbone interact. energy: -0.003
local terms energy: -23.543224
where:
bonds (distance) C4'-P energy: -5.394
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -4.171
flat angles P-C4'-P energy: -3.687
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: 10, replica: 2
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -29.772326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.772326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.772326 (E_RNA)
where:
Base-Base interactions energy: -10.917
where: short stacking energy: -10.917
Base-Backbone interact. energy: -0.018
local terms energy: -18.837349
where:
bonds (distance) C4'-P energy: -1.547
bonds (distance) P-C4' energy: -4.423
flat angles C4'-P-C4' energy: -5.586
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -52.380099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.380099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.380099 (E_RNA)
where:
Base-Base interactions energy: -28.057
where: short stacking energy: -13.325
Base-Backbone interact. energy: -0.071
local terms energy: -24.252840
where:
bonds (distance) C4'-P energy: -4.727
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.444
flat angles P-C4'-P energy: -3.476
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: 2, replica: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -46.324754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.324754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.324754 (E_RNA)
where:
Base-Base interactions energy: -20.785
where: short stacking energy: -20.785
Base-Backbone interact. energy: -0.000
local terms energy: -25.539316
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.173
flat angles P-C4'-P energy: -2.462
tors. eta vs tors. theta energy: -5.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -43.924152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.924152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.924152 (E_RNA)
where:
Base-Base interactions energy: -20.545
where: short stacking energy: -12.887
Base-Backbone interact. energy: -0.000
local terms energy: -23.379006
where:
bonds (distance) C4'-P energy: -4.996
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -6.416
flat angles P-C4'-P energy: -3.800
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: 4, replica: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -45.047632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.047632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.047632 (E_RNA)
where:
Base-Base interactions energy: -20.101
where: short stacking energy: -20.101
Base-Backbone interact. energy: -0.000
local terms energy: -24.946302
where:
bonds (distance) C4'-P energy: -3.725
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -6.008
flat angles P-C4'-P energy: -4.858
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: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -40.483450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.483450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.483450 (E_RNA)
where:
Base-Base interactions energy: -14.857
where: short stacking energy: -14.513
Base-Backbone interact. energy: -0.000
local terms energy: -25.626859
where:
bonds (distance) C4'-P energy: -3.439
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -5.280
flat angles P-C4'-P energy: -3.671
tors. eta vs tors. theta energy: -6.562
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: 6, replica: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -39.126175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.126175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.126175 (E_RNA)
where:
Base-Base interactions energy: -15.714
where: short stacking energy: -15.714
Base-Backbone interact. energy: -0.000
local terms energy: -23.411847
where:
bonds (distance) C4'-P energy: -4.238
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -6.377
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -35.976754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.976754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.976754 (E_RNA)
where:
Base-Base interactions energy: -16.577
where: short stacking energy: -14.345
Base-Backbone interact. energy: -0.001
local terms energy: -19.399047
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -4.579
flat angles C4'-P-C4' energy: -4.591
flat angles P-C4'-P energy: -3.080
tors. eta vs tors. theta energy: -2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -34.679924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.679924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.679924 (E_RNA)
where:
Base-Base interactions energy: -18.630
where: short stacking energy: -5.116
Base-Backbone interact. energy: -0.006
local terms energy: -16.043787
where:
bonds (distance) C4'-P energy: -3.597
bonds (distance) P-C4' energy: -5.131
flat angles C4'-P-C4' energy: -3.403
flat angles P-C4'-P energy: -3.577
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: 2
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -30.916202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.916202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.916202 (E_RNA)
where:
Base-Base interactions energy: -8.249
where: short stacking energy: -8.249
Base-Backbone interact. energy: -0.097
local terms energy: -22.569921
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.850
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -41.103099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.103099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.103099 (E_RNA)
where:
Base-Base interactions energy: -19.086
where: short stacking energy: -19.086
Base-Backbone interact. energy: -0.000
local terms energy: -22.016435
where:
bonds (distance) C4'-P energy: -3.796
bonds (distance) P-C4' energy: -4.448
flat angles C4'-P-C4' energy: -6.363
flat angles P-C4'-P energy: -2.617
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: 6
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -41.784952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.784952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.784952 (E_RNA)
where:
Base-Base interactions energy: -21.387
where: short stacking energy: -14.255
Base-Backbone interact. energy: -0.095
local terms energy: -20.303259
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -5.628
flat angles C4'-P-C4' energy: -4.809
flat angles P-C4'-P energy: -3.261
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -49.124843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.124843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.124843 (E_RNA)
where:
Base-Base interactions energy: -21.980
where: short stacking energy: -21.980
Base-Backbone interact. energy: -0.000
local terms energy: -27.144820
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.606
flat angles C4'-P-C4' energy: -4.143
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -6.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -44.130512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.130512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.130512 (E_RNA)
where:
Base-Base interactions energy: -23.501
where: short stacking energy: -14.057
Base-Backbone interact. energy: -0.059
local terms energy: -20.570496
where:
bonds (distance) C4'-P energy: -2.943
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.005
flat angles P-C4'-P energy: -3.779
tors. eta vs tors. theta energy: -2.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -41.552212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.552212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.552212 (E_RNA)
where:
Base-Base interactions energy: -15.504
where: short stacking energy: -15.504
Base-Backbone interact. energy: -0.000
local terms energy: -26.048232
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.594
flat angles C4'-P-C4' energy: -5.850
flat angles P-C4'-P energy: -4.083
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: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -41.538336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.538336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.538336 (E_RNA)
where:
Base-Base interactions energy: -19.404
where: short stacking energy: -19.404
Base-Backbone interact. energy: -0.000
local terms energy: -22.133894
where:
bonds (distance) C4'-P energy: -5.286
bonds (distance) P-C4' energy: -5.410
flat angles C4'-P-C4' energy: -4.195
flat angles P-C4'-P energy: -2.070
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -39.069347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.069347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.069347 (E_RNA)
where:
Base-Base interactions energy: -17.777
where: short stacking energy: -17.777
Base-Backbone interact. energy: -0.001
local terms energy: -21.291639
where:
bonds (distance) C4'-P energy: -3.025
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -3.982
flat angles P-C4'-P energy: -4.759
tors. eta vs tors. theta energy: -2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -36.871078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.871078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.871078 (E_RNA)
where:
Base-Base interactions energy: -12.894
where: short stacking energy: -9.706
Base-Backbone interact. energy: -0.387
local terms energy: -23.590370
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -6.080
flat angles P-C4'-P energy: -3.386
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: 8, replica: 2
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -33.797791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.797791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.797791 (E_RNA)
where:
Base-Base interactions energy: -15.730
where: short stacking energy: -15.730
Base-Backbone interact. energy: -0.002
local terms energy: -18.065811
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -4.463
flat angles C4'-P-C4' energy: -3.397
flat angles P-C4'-P energy: -2.863
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -31.884108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.884108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.884108 (E_RNA)
where:
Base-Base interactions energy: -12.667
where: short stacking energy: -12.667
Base-Backbone interact. energy: -0.094
local terms energy: -19.123475
where:
bonds (distance) C4'-P energy: -4.222
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -3.619
flat angles P-C4'-P energy: -2.804
tors. eta vs tors. theta energy: -2.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -32.584984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.584984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.584984 (E_RNA)
where:
Base-Base interactions energy: -11.659
where: short stacking energy: -11.659
Base-Backbone interact. energy: -0.003
local terms energy: -20.923445
where:
bonds (distance) C4'-P energy: -4.587
bonds (distance) P-C4' energy: -4.227
flat angles C4'-P-C4' energy: -6.343
flat angles P-C4'-P energy: -4.247
tors. eta vs tors. theta energy: -1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -52.116900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.116900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.116900 (E_RNA)
where:
Base-Base interactions energy: -22.672
where: short stacking energy: -22.672
Base-Backbone interact. energy: -0.000
local terms energy: -29.444737
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.312
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -50.398315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.398315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.398315 (E_RNA)
where:
Base-Base interactions energy: -26.394
where: short stacking energy: -16.748
Base-Backbone interact. energy: -0.000
local terms energy: -24.003553
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -6.225
flat angles P-C4'-P energy: -3.526
tors. eta vs tors. theta energy: -1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -37.964165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.964165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.964165 (E_RNA)
where:
Base-Base interactions energy: -12.407
where: short stacking energy: -12.407
Base-Backbone interact. energy: -0.001
local terms energy: -25.556792
where:
bonds (distance) C4'-P energy: -5.953
bonds (distance) P-C4' energy: -5.248
flat angles C4'-P-C4' energy: -5.833
flat angles P-C4'-P energy: -4.348
tors. eta vs tors. theta energy: -4.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -50.646107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.646107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.646107 (E_RNA)
where:
Base-Base interactions energy: -37.329
where: short stacking energy: -10.348
Base-Backbone interact. energy: -0.071
local terms energy: -13.245573
where:
bonds (distance) C4'-P energy: -2.521
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -5.273
flat angles P-C4'-P energy: -1.267
tors. eta vs tors. theta energy: 1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -43.775920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.775920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.775920 (E_RNA)
where:
Base-Base interactions energy: -19.588
where: short stacking energy: -19.588
Base-Backbone interact. energy: -0.000
local terms energy: -24.187982
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -4.816
flat angles P-C4'-P energy: -3.324
tors. eta vs tors. theta energy: -3.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -36.606517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.606517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.606517 (E_RNA)
where:
Base-Base interactions energy: -17.321
where: short stacking energy: -17.321
Base-Backbone interact. energy: -0.000
local terms energy: -19.284697
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -5.058
flat angles C4'-P-C4' energy: -4.844
flat angles P-C4'-P energy: -0.943
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -42.776045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.776045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.776045 (E_RNA)
where:
Base-Base interactions energy: -21.877
where: short stacking energy: -20.305
Base-Backbone interact. energy: -0.001
local terms energy: -20.898127
where:
bonds (distance) C4'-P energy: -4.532
bonds (distance) P-C4' energy: -2.563
flat angles C4'-P-C4' energy: -4.141
flat angles P-C4'-P energy: -4.208
tors. eta vs tors. theta energy: -5.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -35.453511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.453511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.453511 (E_RNA)
where:
Base-Base interactions energy: -16.453
where: short stacking energy: -4.588
Base-Backbone interact. energy: -0.180
local terms energy: -18.820106
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.216
flat angles P-C4'-P energy: -3.484
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: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -38.463760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.463760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.463760 (E_RNA)
where:
Base-Base interactions energy: -13.333
where: short stacking energy: -13.333
Base-Backbone interact. energy: -0.003
local terms energy: -25.127730
where:
bonds (distance) C4'-P energy: -4.690
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -4.771
flat angles P-C4'-P energy: -3.968
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -30.865609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.865609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.865609 (E_RNA)
where:
Base-Base interactions energy: -10.924
where: short stacking energy: -10.924
Base-Backbone interact. energy: -0.019
local terms energy: -19.922972
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -3.486
flat angles P-C4'-P energy: -3.779
tors. eta vs tors. theta energy: -0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -57.497281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.497281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.497281 (E_RNA)
where:
Base-Base interactions energy: -30.620
where: short stacking energy: -19.026
Base-Backbone interact. energy: -1.419
local terms energy: -25.458114
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.785
flat angles P-C4'-P energy: -3.740
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -50.862239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.862239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.862239 (E_RNA)
where:
Base-Base interactions energy: -23.046
where: short stacking energy: -23.046
Base-Backbone interact. energy: -0.000
local terms energy: -27.816428
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -5.083
flat angles C4'-P-C4' energy: -5.285
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -6.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -44.533659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.533659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.533659 (E_RNA)
where:
Base-Base interactions energy: -17.965
where: short stacking energy: -17.965
Base-Backbone interact. energy: -0.000
local terms energy: -26.568600
where:
bonds (distance) C4'-P energy: -4.532
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -4.956
flat angles P-C4'-P energy: -4.159
tors. eta vs tors. theta energy: -6.037
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: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -41.832670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.832670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.832670 (E_RNA)
where:
Base-Base interactions energy: -18.922
where: short stacking energy: -12.792
Base-Backbone interact. energy: -0.821
local terms energy: -22.089867
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.904
flat angles P-C4'-P energy: -4.030
tors. eta vs tors. theta energy: -0.659
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: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -43.442284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.442284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.442284 (E_RNA)
where:
Base-Base interactions energy: -16.765
where: short stacking energy: -16.765
Base-Backbone interact. energy: -0.000
local terms energy: -26.677499
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.558
flat angles P-C4'-P energy: -3.605
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: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -45.912567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.912567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.912567 (E_RNA)
where:
Base-Base interactions energy: -24.654
where: short stacking energy: -17.147
Base-Backbone interact. energy: -0.545
local terms energy: -20.713588
where:
bonds (distance) C4'-P energy: -4.098
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -4.031
flat angles P-C4'-P energy: -3.959
tors. eta vs tors. theta energy: -1.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -30.745651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.745651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.745651 (E_RNA)
where:
Base-Base interactions energy: -11.842
where: short stacking energy: -1.244
Base-Backbone interact. energy: 0.100
local terms energy: -19.004131
where:
bonds (distance) C4'-P energy: -2.396
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.450
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: 0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -35.703270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.703270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.703270 (E_RNA)
where:
Base-Base interactions energy: -12.123
where: short stacking energy: -12.123
Base-Backbone interact. energy: -0.001
local terms energy: -23.579753
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -5.991
flat angles C4'-P-C4' energy: -5.193
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -3.230
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: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -34.687474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.687474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.687474 (E_RNA)
where:
Base-Base interactions energy: -10.868
where: short stacking energy: -10.610
Base-Backbone interact. energy: -0.000
local terms energy: -23.819264
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.267
flat angles P-C4'-P energy: -2.107
tors. eta vs tors. theta energy: -4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -40.218410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.218410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.218410 (E_RNA)
where:
Base-Base interactions energy: -17.582
where: short stacking energy: -17.582
Base-Backbone interact. energy: -0.004
local terms energy: -22.632424
where:
bonds (distance) C4'-P energy: -4.346
bonds (distance) P-C4' energy: -5.131
flat angles C4'-P-C4' energy: -4.115
flat angles P-C4'-P energy: -4.276
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: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -49.167420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.167420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.167420 (E_RNA)
where:
Base-Base interactions energy: -22.314
where: short stacking energy: -17.355
Base-Backbone interact. energy: -0.000
local terms energy: -26.853725
where:
bonds (distance) C4'-P energy: -5.099
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.370
flat angles P-C4'-P energy: -2.857
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: 2, replica: 6
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -47.324181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.324181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.324181 (E_RNA)
where:
Base-Base interactions energy: -26.870
where: short stacking energy: -12.229
Base-Backbone interact. energy: -0.000
local terms energy: -20.454201
where:
bonds (distance) C4'-P energy: -3.316
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.065
flat angles P-C4'-P energy: -2.679
tors. eta vs tors. theta energy: -2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -50.765860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.765860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.765860 (E_RNA)
where:
Base-Base interactions energy: -30.685
where: short stacking energy: -11.717
Base-Backbone interact. energy: -0.021
local terms energy: -20.059884
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: 0.045
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: 4, replica: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -44.383908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.383908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.383908 (E_RNA)
where:
Base-Base interactions energy: -18.029
where: short stacking energy: -18.029
Base-Backbone interact. energy: -0.000
local terms energy: -26.354568
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -4.175
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -5.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -42.333654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.333654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.333654 (E_RNA)
where:
Base-Base interactions energy: -20.823
where: short stacking energy: -20.823
Base-Backbone interact. energy: -0.000
local terms energy: -21.510379
where:
bonds (distance) C4'-P energy: -3.328
bonds (distance) P-C4' energy: -7.147
flat angles C4'-P-C4' energy: -3.794
flat angles P-C4'-P energy: -1.695
tors. eta vs tors. theta energy: -5.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -42.573002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.573002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.573002 (E_RNA)
where:
Base-Base interactions energy: -18.567
where: short stacking energy: -18.567
Base-Backbone interact. energy: -0.000
local terms energy: -24.006192
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -5.171
flat angles C4'-P-C4' energy: -5.132
flat angles P-C4'-P energy: -3.660
tors. eta vs tors. theta energy: -4.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -35.081853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.081853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.081853 (E_RNA)
where:
Base-Base interactions energy: -11.051
where: short stacking energy: -11.051
Base-Backbone interact. energy: -0.003
local terms energy: -24.028667
where:
bonds (distance) C4'-P energy: -4.603
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.674
flat angles P-C4'-P energy: -3.805
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: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -35.355469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.355469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.355469 (E_RNA)
where:
Base-Base interactions energy: -15.394
where: short stacking energy: -15.394
Base-Backbone interact. energy: -0.003
local terms energy: -19.958595
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -3.171
flat angles P-C4'-P energy: -3.874
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: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -35.353587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.353587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.353587 (E_RNA)
where:
Base-Base interactions energy: -12.848
where: short stacking energy: -12.848
Base-Backbone interact. energy: -0.000
local terms energy: -22.506055
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -5.576
flat angles C4'-P-C4' energy: -4.928
flat angles P-C4'-P energy: -3.505
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -35.933947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.933947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.933947 (E_RNA)
where:
Base-Base interactions energy: -12.889
where: short stacking energy: -12.889
Base-Backbone interact. energy: -0.061
local terms energy: -22.984027
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.883
flat angles P-C4'-P energy: -2.489
tors. eta vs tors. theta energy: -3.095
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: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -49.337149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.337149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.337149 (E_RNA)
where:
Base-Base interactions energy: -20.278
where: short stacking energy: -20.278
Base-Backbone interact. energy: -0.000
local terms energy: -29.058686
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.510
flat angles P-C4'-P energy: -3.861
tors. eta vs tors. theta energy: -7.673
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: 2, replica: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -42.262117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.262117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.262117 (E_RNA)
where:
Base-Base interactions energy: -18.897
where: short stacking energy: -18.897
Base-Backbone interact. energy: -0.007
local terms energy: -23.358618
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.118
flat angles C4'-P-C4' energy: -5.026
flat angles P-C4'-P energy: -3.092
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: 3, replica: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -46.853967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.853967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.853967 (E_RNA)
where:
Base-Base interactions energy: -19.210
where: short stacking energy: -19.210
Base-Backbone interact. energy: -0.000
local terms energy: -27.644165
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.261
flat angles P-C4'-P energy: -2.890
tors. eta vs tors. theta energy: -5.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -42.096130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.096130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.096130 (E_RNA)
where:
Base-Base interactions energy: -18.249
where: short stacking energy: -18.249
Base-Backbone interact. energy: -0.000
local terms energy: -23.847192
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -3.763
flat angles P-C4'-P energy: -3.521
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -49.026453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.026453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.026453 (E_RNA)
where:
Base-Base interactions energy: -25.341
where: short stacking energy: -10.745
Base-Backbone interact. energy: -0.051
local terms energy: -23.634387
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -6.206
flat angles C4'-P-C4' energy: -6.487
flat angles P-C4'-P energy: -0.495
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: 6, replica: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -37.009272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.009272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.009272 (E_RNA)
where:
Base-Base interactions energy: -17.062
where: short stacking energy: -17.062
Base-Backbone interact. energy: -0.000
local terms energy: -19.947107
where:
bonds (distance) C4'-P energy: -4.450
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -4.768
flat angles P-C4'-P energy: -0.572
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: 7, replica: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -38.843718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.843718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.843718 (E_RNA)
where:
Base-Base interactions energy: -15.143
where: short stacking energy: -10.160
Base-Backbone interact. energy: -0.009
local terms energy: -23.691565
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.725
flat angles P-C4'-P energy: -3.842
tors. eta vs tors. theta energy: -0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -38.855147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.855147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.855147 (E_RNA)
where:
Base-Base interactions energy: -18.453
where: short stacking energy: -15.569
Base-Backbone interact. energy: -0.000
local terms energy: -20.402346
where:
bonds (distance) C4'-P energy: -4.284
bonds (distance) P-C4' energy: -5.509
flat angles C4'-P-C4' energy: -3.280
flat angles P-C4'-P energy: -3.412
tors. eta vs tors. theta energy: -3.917
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: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -33.192615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.192615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.192615 (E_RNA)
where:
Base-Base interactions energy: -14.869
where: short stacking energy: -12.610
Base-Backbone interact. energy: -0.003
local terms energy: -18.320796
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -3.098
flat angles C4'-P-C4' energy: -5.128
flat angles P-C4'-P energy: 0.357
tors. eta vs tors. theta energy: -4.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -28.887876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.887876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.887876 (E_RNA)
where:
Base-Base interactions energy: -9.942
where: short stacking energy: -6.443
Base-Backbone interact. energy: -0.096
local terms energy: -18.849410
where:
bonds (distance) C4'-P energy: -4.392
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -5.493
flat angles P-C4'-P energy: -3.427
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: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -52.055155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.055155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.055155 (E_RNA)
where:
Base-Base interactions energy: -24.828
where: short stacking energy: -24.828
Base-Backbone interact. energy: -0.000
local terms energy: -27.227158
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -5.767
flat angles C4'-P-C4' energy: -5.807
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -45.783120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.783120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.783120 (E_RNA)
where:
Base-Base interactions energy: -18.748
where: short stacking energy: -18.748
Base-Backbone interact. energy: -0.000
local terms energy: -27.035011
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -5.184
flat angles C4'-P-C4' energy: -5.532
flat angles P-C4'-P energy: -4.349
tors. eta vs tors. theta energy: -5.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -51.874062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.874062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.874062 (E_RNA)
where:
Base-Base interactions energy: -23.175
where: short stacking energy: -23.175
Base-Backbone interact. energy: -0.000
local terms energy: -28.698626
where:
bonds (distance) C4'-P energy: -4.454
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.991
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -6.238
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: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -49.072507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.072507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.072507 (E_RNA)
where:
Base-Base interactions energy: -23.171
where: short stacking energy: -23.171
Base-Backbone interact. energy: -0.000
local terms energy: -25.901770
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -6.159
flat angles C4'-P-C4' energy: -5.677
flat angles P-C4'-P energy: -2.871
tors. eta vs tors. theta energy: -5.845
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: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -54.842169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.842169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.842169 (E_RNA)
where:
Base-Base interactions energy: -32.678
where: short stacking energy: -19.447
Base-Backbone interact. energy: -0.211
local terms energy: -21.953341
where:
bonds (distance) C4'-P energy: -5.365
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.169
flat angles P-C4'-P energy: -0.555
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: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -46.918453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.918453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.918453 (E_RNA)
where:
Base-Base interactions energy: -20.950
where: short stacking energy: -20.950
Base-Backbone interact. energy: -0.000
local terms energy: -25.968364
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -5.656
flat angles C4'-P-C4' energy: -5.188
flat angles P-C4'-P energy: -3.861
tors. eta vs tors. theta energy: -5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -42.619596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.619596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.619596 (E_RNA)
where:
Base-Base interactions energy: -20.610
where: short stacking energy: -19.734
Base-Backbone interact. energy: -0.003
local terms energy: -22.006817
where:
bonds (distance) C4'-P energy: -4.285
bonds (distance) P-C4' energy: -3.028
flat angles C4'-P-C4' energy: -6.014
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -5.189
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: 70
Temperature: 1.250000
Total energy: -34.942847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.942847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.942847 (E_RNA)
where:
Base-Base interactions energy: -15.201
where: short stacking energy: -15.201
Base-Backbone interact. energy: -0.001
local terms energy: -19.740499
where:
bonds (distance) C4'-P energy: -2.599
bonds (distance) P-C4' energy: -4.822
flat angles C4'-P-C4' energy: -5.266
flat angles P-C4'-P energy: -4.536
tors. eta vs tors. theta energy: -2.517
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: 4
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -32.779722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.779722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.779722 (E_RNA)
where:
Base-Base interactions energy: -10.022
where: short stacking energy: -10.022
Base-Backbone interact. energy: -0.014
local terms energy: -22.743920
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -2.918
flat angles P-C4'-P energy: -4.978
tors. eta vs tors. theta energy: -2.774
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: 1
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -32.084246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.084246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.084246 (E_RNA)
where:
Base-Base interactions energy: -11.566
where: short stacking energy: -11.566
Base-Backbone interact. energy: -0.002
local terms energy: -20.516352
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -6.608
flat angles P-C4'-P energy: -1.492
tors. eta vs tors. theta energy: -0.686
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: 1, replica: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -47.428204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.428204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.428204 (E_RNA)
where:
Base-Base interactions energy: -23.115
where: short stacking energy: -23.115
Base-Backbone interact. energy: -0.000
local terms energy: -24.312874
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -5.273
flat angles C4'-P-C4' energy: -6.099
flat angles P-C4'-P energy: -3.174
tors. eta vs tors. theta energy: -3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -48.325688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.325688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.325688 (E_RNA)
where:
Base-Base interactions energy: -20.947
where: short stacking energy: -20.947
Base-Backbone interact. energy: -0.000
local terms energy: -27.379025
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.433
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -45.912851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.912851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.912851 (E_RNA)
where:
Base-Base interactions energy: -23.077
where: short stacking energy: -23.077
Base-Backbone interact. energy: -0.000
local terms energy: -22.836332
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -5.080
flat angles P-C4'-P energy: -2.380
tors. eta vs tors. theta energy: -5.352
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: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -51.237799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.237799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.237799 (E_RNA)
where:
Base-Base interactions energy: -26.153
where: short stacking energy: -19.588
Base-Backbone interact. energy: -1.052
local terms energy: -24.032235
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -6.355
flat angles C4'-P-C4' energy: -2.697
flat angles P-C4'-P energy: -4.191
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: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -39.040357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.040357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.040357 (E_RNA)
where:
Base-Base interactions energy: -18.364
where: short stacking energy: -9.253
Base-Backbone interact. energy: -0.046
local terms energy: -20.629548
where:
bonds (distance) C4'-P energy: -5.323
bonds (distance) P-C4' energy: -5.537
flat angles C4'-P-C4' energy: -4.156
flat angles P-C4'-P energy: -3.388
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -37.873923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.873923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.873923 (E_RNA)
where:
Base-Base interactions energy: -14.350
where: short stacking energy: -14.350
Base-Backbone interact. energy: -0.002
local terms energy: -23.522655
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -4.960
flat angles C4'-P-C4' energy: -4.403
flat angles P-C4'-P energy: -4.594
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -34.344575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.344575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.344575 (E_RNA)
where:
Base-Base interactions energy: -16.091
where: short stacking energy: -16.091
Base-Backbone interact. energy: -0.001
local terms energy: -18.252932
where:
bonds (distance) C4'-P energy: -1.515
bonds (distance) P-C4' energy: -4.199
flat angles C4'-P-C4' energy: -4.685
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -2.634
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: 4
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -36.455858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.455858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.455858 (E_RNA)
where:
Base-Base interactions energy: -11.928
where: short stacking energy: -11.928
Base-Backbone interact. energy: -0.006
local terms energy: -24.521813
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -5.683
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -35.982471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.982471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.982471 (E_RNA)
where:
Base-Base interactions energy: -8.886
where: short stacking energy: -8.886
Base-Backbone interact. energy: -0.000
local terms energy: -27.096778
where:
bonds (distance) C4'-P energy: -5.207
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -6.240
flat angles P-C4'-P energy: -4.457
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -35.108557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.108557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.108557 (E_RNA)
where:
Base-Base interactions energy: -14.058
where: short stacking energy: -11.626
Base-Backbone interact. energy: -0.001
local terms energy: -21.049909
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.093
flat angles P-C4'-P energy: -3.323
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -47.473414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.473414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.473414 (E_RNA)
where:
Base-Base interactions energy: -27.139
where: short stacking energy: -16.628
Base-Backbone interact. energy: -0.023
local terms energy: -20.311011
where:
bonds (distance) C4'-P energy: -4.143
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.489
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: -0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -40.177514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.177514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.177514 (E_RNA)
where:
Base-Base interactions energy: -19.729
where: short stacking energy: -9.569
Base-Backbone interact. energy: -0.031
local terms energy: -20.417592
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -5.541
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -0.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -46.303192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.303192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.303192 (E_RNA)
where:
Base-Base interactions energy: -21.966
where: short stacking energy: -21.966
Base-Backbone interact. energy: -0.020
local terms energy: -24.317276
where:
bonds (distance) C4'-P energy: -3.647
bonds (distance) P-C4' energy: -5.336
flat angles C4'-P-C4' energy: -6.869
flat angles P-C4'-P energy: -4.024
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: 4, replica: 5
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -34.704619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.704619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.704619 (E_RNA)
where:
Base-Base interactions energy: -13.208
where: short stacking energy: -13.208
Base-Backbone interact. energy: -0.096
local terms energy: -21.401328
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -4.057
flat angles C4'-P-C4' energy: -4.524
flat angles P-C4'-P energy: -5.187
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: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -35.441602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.441602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.441602 (E_RNA)
where:
Base-Base interactions energy: -13.940
where: short stacking energy: -12.431
Base-Backbone interact. energy: -0.005
local terms energy: -21.497004
where:
bonds (distance) C4'-P energy: -3.834
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.994
flat angles P-C4'-P energy: -3.789
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -39.356239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.356239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.356239 (E_RNA)
where:
Base-Base interactions energy: -12.794
where: short stacking energy: -11.574
Base-Backbone interact. energy: -0.000
local terms energy: -26.561750
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.663
flat angles P-C4'-P energy: -3.912
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -36.632873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.632873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.632873 (E_RNA)
where:
Base-Base interactions energy: -12.688
where: short stacking energy: -12.688
Base-Backbone interact. energy: -0.000
local terms energy: -23.945177
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.164
flat angles P-C4'-P energy: -2.309
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -37.571135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.571135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.571135 (E_RNA)
where:
Base-Base interactions energy: -15.660
where: short stacking energy: -15.660
Base-Backbone interact. energy: -0.000
local terms energy: -21.911203
where:
bonds (distance) C4'-P energy: -5.891
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -5.942
flat angles P-C4'-P energy: -0.873
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: 9, replica: 1
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -34.227863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.227863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.227863 (E_RNA)
where:
Base-Base interactions energy: -14.552
where: short stacking energy: -14.552
Base-Backbone interact. energy: -0.020
local terms energy: -19.655791
where:
bonds (distance) C4'-P energy: -4.115
bonds (distance) P-C4' energy: -5.671
flat angles C4'-P-C4' energy: -5.795
flat angles P-C4'-P energy: -2.543
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: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -32.322737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.322737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.322737 (E_RNA)
where:
Base-Base interactions energy: -11.780
where: short stacking energy: -5.897
Base-Backbone interact. energy: -0.320
local terms energy: -20.222021
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -6.385
flat angles P-C4'-P energy: -1.341
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: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -45.510812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.510812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.510812 (E_RNA)
where:
Base-Base interactions energy: -22.583
where: short stacking energy: -19.173
Base-Backbone interact. energy: -0.054
local terms energy: -22.874070
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.079
flat angles P-C4'-P energy: -4.960
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -51.156882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.156882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.156882 (E_RNA)
where:
Base-Base interactions energy: -25.115
where: short stacking energy: -17.980
Base-Backbone interact. energy: -0.007
local terms energy: -26.034879
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -4.890
flat angles C4'-P-C4' energy: -5.921
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -5.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -43.172415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.172415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.172415 (E_RNA)
where:
Base-Base interactions energy: -20.637
where: short stacking energy: -20.637
Base-Backbone interact. energy: -0.000
local terms energy: -22.535152
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.347
flat angles P-C4'-P energy: -0.873
tors. eta vs tors. theta energy: -5.531
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: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -41.844774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.844774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.844774 (E_RNA)
where:
Base-Base interactions energy: -21.548
where: short stacking energy: -21.548
Base-Backbone interact. energy: -0.004
local terms energy: -20.292092
where:
bonds (distance) C4'-P energy: -2.446
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -5.359
flat angles P-C4'-P energy: -0.795
tors. eta vs tors. theta energy: -6.328
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: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -47.846180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.846180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.846180 (E_RNA)
where:
Base-Base interactions energy: -26.960
where: short stacking energy: -7.792
Base-Backbone interact. energy: -0.001
local terms energy: -20.885398
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -6.142
flat angles P-C4'-P energy: 0.095
tors. eta vs tors. theta energy: -3.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -43.821465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.821465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.821465 (E_RNA)
where:
Base-Base interactions energy: -20.072
where: short stacking energy: -20.072
Base-Backbone interact. energy: -0.002
local terms energy: -23.747362
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -4.719
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: -2.954
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: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -41.238571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.238571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.238571 (E_RNA)
where:
Base-Base interactions energy: -20.466
where: short stacking energy: -12.753
Base-Backbone interact. energy: -0.009
local terms energy: -20.763274
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -5.919
flat angles P-C4'-P energy: -2.503
tors. eta vs tors. theta energy: -0.996
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: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -35.781246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.781246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.781246 (E_RNA)
where:
Base-Base interactions energy: -14.426
where: short stacking energy: -10.799
Base-Backbone interact. energy: -0.005
local terms energy: -21.350053
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -2.153
flat angles C4'-P-C4' energy: -5.260
flat angles P-C4'-P energy: -3.960
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -32.083086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.083086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.083086 (E_RNA)
where:
Base-Base interactions energy: -13.942
where: short stacking energy: -13.942
Base-Backbone interact. energy: -0.002
local terms energy: -18.138963
where:
bonds (distance) C4'-P energy: -4.755
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -4.097
flat angles P-C4'-P energy: -3.207
tors. eta vs tors. theta energy: 0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -29.606189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.606189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.606189 (E_RNA)
where:
Base-Base interactions energy: -11.037
where: short stacking energy: -8.124
Base-Backbone interact. energy: -0.015
local terms energy: -18.553856
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -4.389
flat angles C4'-P-C4' energy: -5.568
flat angles P-C4'-P energy: -3.177
tors. eta vs tors. theta energy: 0.810
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: 74
Temperature: 0.900000
Total energy: -51.941556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.941556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.941556 (E_RNA)
where:
Base-Base interactions energy: -25.496
where: short stacking energy: -25.496
Base-Backbone interact. energy: -0.000
local terms energy: -26.445713
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -4.306
flat angles C4'-P-C4' energy: -5.940
flat angles P-C4'-P energy: -4.495
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -49.917978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.917978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.917978 (E_RNA)
where:
Base-Base interactions energy: -24.133
where: short stacking energy: -17.635
Base-Backbone interact. energy: -0.001
local terms energy: -25.783718
where:
bonds (distance) C4'-P energy: -5.029
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -6.095
flat angles P-C4'-P energy: -1.755
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: 3, replica: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -48.287008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.287008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.287008 (E_RNA)
where:
Base-Base interactions energy: -28.290
where: short stacking energy: -6.264
Base-Backbone interact. energy: -0.055
local terms energy: -19.942217
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.207
flat angles P-C4'-P energy: 0.378
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -42.248972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.248972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.248972 (E_RNA)
where:
Base-Base interactions energy: -20.506
where: short stacking energy: -9.424
Base-Backbone interact. energy: -0.101
local terms energy: -21.642301
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.492
flat angles P-C4'-P energy: -2.838
tors. eta vs tors. theta energy: -1.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -50.933279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.933279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.933279 (E_RNA)
where:
Base-Base interactions energy: -21.724
where: short stacking energy: -21.724
Base-Backbone interact. energy: -0.000
local terms energy: -29.209518
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.023
flat angles P-C4'-P energy: -4.439
tors. eta vs tors. theta energy: -6.272
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: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -40.675316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.675316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.675316 (E_RNA)
where:
Base-Base interactions energy: -16.699
where: short stacking energy: -16.699
Base-Backbone interact. energy: -0.008
local terms energy: -23.968379
where:
bonds (distance) C4'-P energy: -3.825
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.867
flat angles P-C4'-P energy: -4.123
tors. eta vs tors. theta energy: -3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -42.097805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.097805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.097805 (E_RNA)
where:
Base-Base interactions energy: -21.034
where: short stacking energy: -21.034
Base-Backbone interact. energy: -0.000
local terms energy: -21.063336
where:
bonds (distance) C4'-P energy: -3.608
bonds (distance) P-C4' energy: -5.159
flat angles C4'-P-C4' energy: -5.429
flat angles P-C4'-P energy: -2.114
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: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -34.660561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.660561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.660561 (E_RNA)
where:
Base-Base interactions energy: -15.597
where: short stacking energy: -15.597
Base-Backbone interact. energy: -0.000
local terms energy: -19.064026
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -5.491
flat angles C4'-P-C4' energy: -1.158
flat angles P-C4'-P energy: -2.614
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -32.806283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.806283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.806283 (E_RNA)
where:
Base-Base interactions energy: -11.152
where: short stacking energy: -11.152
Base-Backbone interact. energy: -0.004
local terms energy: -21.650576
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -5.518
flat angles P-C4'-P energy: -2.926
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -28.855650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.855650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.855650 (E_RNA)
where:
Base-Base interactions energy: -10.310
where: short stacking energy: -10.310
Base-Backbone interact. energy: -0.067
local terms energy: -18.478989
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -5.278
flat angles P-C4'-P energy: -4.331
tors. eta vs tors. theta energy: 2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -50.796081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.796081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.796081 (E_RNA)
where:
Base-Base interactions energy: -24.200
where: short stacking energy: -24.200
Base-Backbone interact. energy: -0.000
local terms energy: -26.595862
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -4.522
flat angles P-C4'-P energy: -3.639
tors. eta vs tors. theta energy: -6.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -39.457021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.457021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.457021 (E_RNA)
where:
Base-Base interactions energy: -15.924
where: short stacking energy: -15.924
Base-Backbone interact. energy: -0.019
local terms energy: -23.514572
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -4.792
flat angles P-C4'-P energy: -4.210
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: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -49.337446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.337446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.337446 (E_RNA)
where:
Base-Base interactions energy: -21.434
where: short stacking energy: -21.434
Base-Backbone interact. energy: -0.000
local terms energy: -27.903267
where:
bonds (distance) C4'-P energy: -3.866
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -6.519
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: -6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -41.276191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.276191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.276191 (E_RNA)
where:
Base-Base interactions energy: -19.229
where: short stacking energy: -19.229
Base-Backbone interact. energy: -0.004
local terms energy: -22.043093
where:
bonds (distance) C4'-P energy: -3.841
bonds (distance) P-C4' energy: -5.516
flat angles C4'-P-C4' energy: -4.948
flat angles P-C4'-P energy: -3.907
tors. eta vs tors. theta energy: -3.832
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: 7
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -38.657850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.657850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.657850 (E_RNA)
where:
Base-Base interactions energy: -13.685
where: short stacking energy: -13.685
Base-Backbone interact. energy: -0.024
local terms energy: -24.948667
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -4.512
flat angles P-C4'-P energy: -4.142
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -36.736739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.736739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.736739 (E_RNA)
where:
Base-Base interactions energy: -14.275
where: short stacking energy: -14.275
Base-Backbone interact. energy: -0.056
local terms energy: -22.405336
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -3.426
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -1.842
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: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -35.806193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.806193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.806193 (E_RNA)
where:
Base-Base interactions energy: -16.063
where: short stacking energy: -12.343
Base-Backbone interact. energy: -0.003
local terms energy: -19.740296
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -5.613
flat angles C4'-P-C4' energy: -4.411
flat angles P-C4'-P energy: -3.071
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: 8, replica: 1
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -39.828721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.828721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.828721 (E_RNA)
where:
Base-Base interactions energy: -16.456
where: short stacking energy: -16.456
Base-Backbone interact. energy: -0.000
local terms energy: -23.372767
where:
bonds (distance) C4'-P energy: -3.627
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.328
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -33.991900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.991900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.991900 (E_RNA)
where:
Base-Base interactions energy: -12.493
where: short stacking energy: -8.425
Base-Backbone interact. energy: -0.002
local terms energy: -21.497441
where:
bonds (distance) C4'-P energy: -5.393
bonds (distance) P-C4' energy: -5.015
flat angles C4'-P-C4' energy: -4.255
flat angles P-C4'-P energy: -4.562
tors. eta vs tors. theta energy: -2.273
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: 75
Temperature: 1.350000
Total energy: -29.291650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.291650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.291650 (E_RNA)
where:
Base-Base interactions energy: -13.707
where: short stacking energy: -8.274
Base-Backbone interact. energy: -0.000
local terms energy: -15.585038
where:
bonds (distance) C4'-P energy: -4.337
bonds (distance) P-C4' energy: -3.745
flat angles C4'-P-C4' energy: -3.622
flat angles P-C4'-P energy: -3.451
tors. eta vs tors. theta energy: -0.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -59.066170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.066170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.066170 (E_RNA)
where:
Base-Base interactions energy: -31.857
where: short stacking energy: -16.551
Base-Backbone interact. energy: -0.082
local terms energy: -27.127052
where:
bonds (distance) C4'-P energy: -5.394
bonds (distance) P-C4' energy: -5.304
flat angles C4'-P-C4' energy: -5.919
flat angles P-C4'-P energy: -4.469
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: 2, replica: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -49.020022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.020022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.020022 (E_RNA)
where:
Base-Base interactions energy: -22.233
where: short stacking energy: -22.233
Base-Backbone interact. energy: -0.000
local terms energy: -26.787221
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.480
flat angles P-C4'-P energy: -3.733
tors. eta vs tors. theta energy: -6.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -47.432680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.432680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.432680 (E_RNA)
where:
Base-Base interactions energy: -19.237
where: short stacking energy: -19.237
Base-Backbone interact. energy: -0.000
local terms energy: -28.195639
where:
bonds (distance) C4'-P energy: -5.161
bonds (distance) P-C4' energy: -5.864
flat angles C4'-P-C4' energy: -6.086
flat angles P-C4'-P energy: -3.481
tors. eta vs tors. theta energy: -7.603
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: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -42.127382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.127382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.127382 (E_RNA)
where:
Base-Base interactions energy: -16.542
where: short stacking energy: -16.542
Base-Backbone interact. energy: -0.000
local terms energy: -25.585528
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.440
flat angles P-C4'-P energy: -2.935
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: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -43.447209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.447209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.447209 (E_RNA)
where:
Base-Base interactions energy: -24.607
where: short stacking energy: -17.473
Base-Backbone interact. energy: -0.032
local terms energy: -18.807836
where:
bonds (distance) C4'-P energy: -2.615
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -4.870
flat angles P-C4'-P energy: -2.865
tors. eta vs tors. theta energy: -2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -38.916871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.916871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.916871 (E_RNA)
where:
Base-Base interactions energy: -17.470
where: short stacking energy: -16.811
Base-Backbone interact. energy: -0.000
local terms energy: -21.446567
where:
bonds (distance) C4'-P energy: -5.589
bonds (distance) P-C4' energy: -4.227
flat angles C4'-P-C4' energy: -5.588
flat angles P-C4'-P energy: -0.934
tors. eta vs tors. theta energy: -5.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -50.477668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.477668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.477668 (E_RNA)
where:
Base-Base interactions energy: -21.893
where: short stacking energy: -21.893
Base-Backbone interact. energy: -0.000
local terms energy: -28.584839
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -5.594
flat angles C4'-P-C4' energy: -5.550
flat angles P-C4'-P energy: -4.625
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: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -33.944597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.944597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.944597 (E_RNA)
where:
Base-Base interactions energy: -11.860
where: short stacking energy: -10.013
Base-Backbone interact. energy: -0.000
local terms energy: -22.084231
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -3.193
flat angles P-C4'-P energy: -4.376
tors. eta vs tors. theta energy: -3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -40.905816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.905816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.905816 (E_RNA)
where:
Base-Base interactions energy: -16.236
where: short stacking energy: -16.236
Base-Backbone interact. energy: -0.005
local terms energy: -24.664967
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -5.466
flat angles C4'-P-C4' energy: -5.567
flat angles P-C4'-P energy: -3.289
tors. eta vs tors. theta energy: -4.967
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: 76
Temperature: 1.350000
Total energy: -37.375618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.375618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.375618 (E_RNA)
where:
Base-Base interactions energy: -14.544
where: short stacking energy: -14.544
Base-Backbone interact. energy: -0.000
local terms energy: -22.831603
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -4.681
flat angles C4'-P-C4' energy: -4.421
flat angles P-C4'-P energy: -2.797
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -57.933063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.933063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.933063 (E_RNA)
where:
Base-Base interactions energy: -31.198
where: short stacking energy: -15.251
Base-Backbone interact. energy: -0.069
local terms energy: -26.666068
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.407
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: -5.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -54.395644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.395644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.395644 (E_RNA)
where:
Base-Base interactions energy: -24.405
where: short stacking energy: -24.405
Base-Backbone interact. energy: -0.000
local terms energy: -29.990893
where:
bonds (distance) C4'-P energy: -6.139
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.869
flat angles P-C4'-P energy: -3.083
tors. eta vs tors. theta energy: -7.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -48.277128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.277128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.277128 (E_RNA)
where:
Base-Base interactions energy: -20.678
where: short stacking energy: -20.678
Base-Backbone interact. energy: -0.000
local terms energy: -27.599585
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -4.637
flat angles P-C4'-P energy: -3.828
tors. eta vs tors. theta energy: -7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -40.605201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.605201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.605201 (E_RNA)
where:
Base-Base interactions energy: -16.573
where: short stacking energy: -16.573
Base-Backbone interact. energy: -0.069
local terms energy: -23.963522
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -5.126
flat angles P-C4'-P energy: -4.622
tors. eta vs tors. theta energy: -2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -40.712220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.712220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.712220 (E_RNA)
where:
Base-Base interactions energy: -17.450
where: short stacking energy: -17.450
Base-Backbone interact. energy: -0.001
local terms energy: -23.261480
where:
bonds (distance) C4'-P energy: -4.285
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -5.529
flat angles P-C4'-P energy: -1.766
tors. eta vs tors. theta energy: -6.151
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: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -37.174791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.174791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.174791 (E_RNA)
where:
Base-Base interactions energy: -14.447
where: short stacking energy: -14.447
Base-Backbone interact. energy: -0.000
local terms energy: -22.728162
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -4.895
flat angles P-C4'-P energy: -3.428
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -31.701680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.701680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.701680 (E_RNA)
where:
Base-Base interactions energy: -10.153
where: short stacking energy: -5.903
Base-Backbone interact. energy: -0.053
local terms energy: -21.496087
where:
bonds (distance) C4'-P energy: -5.120
bonds (distance) P-C4' energy: -5.494
flat angles C4'-P-C4' energy: -5.995
flat angles P-C4'-P energy: -4.227
tors. eta vs tors. theta energy: -0.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -40.032686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.032686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.032686 (E_RNA)
where:
Base-Base interactions energy: -18.450
where: short stacking energy: -18.450
Base-Backbone interact. energy: -0.000
local terms energy: -21.582848
where:
bonds (distance) C4'-P energy: -3.513
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -5.783
flat angles P-C4'-P energy: -0.592
tors. eta vs tors. theta energy: -5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -35.927331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.927331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.927331 (E_RNA)
where:
Base-Base interactions energy: -12.183
where: short stacking energy: -12.183
Base-Backbone interact. energy: -0.000
local terms energy: -23.744387
where:
bonds (distance) C4'-P energy: -4.549
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.723
flat angles P-C4'-P energy: -3.533
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: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -32.147760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.147760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.147760 (E_RNA)
where:
Base-Base interactions energy: -14.614
where: short stacking energy: -14.614
Base-Backbone interact. energy: -0.000
local terms energy: -17.533376
where:
bonds (distance) C4'-P energy: -1.505
bonds (distance) P-C4' energy: -3.849
flat angles C4'-P-C4' energy: -6.268
flat angles P-C4'-P energy: -4.205
tors. eta vs tors. theta energy: -1.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -46.436083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.436083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.436083 (E_RNA)
where:
Base-Base interactions energy: -20.318
where: short stacking energy: -20.318
Base-Backbone interact. energy: -0.000
local terms energy: -26.118064
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.646
flat angles P-C4'-P energy: -1.969
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -56.417777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.417777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.417777 (E_RNA)
where:
Base-Base interactions energy: -32.167
where: short stacking energy: -18.999
Base-Backbone interact. energy: -0.000
local terms energy: -24.250602
where:
bonds (distance) C4'-P energy: -4.880
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.175
flat angles P-C4'-P energy: -4.206
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: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -52.850554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.850554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.850554 (E_RNA)
where:
Base-Base interactions energy: -24.975
where: short stacking energy: -24.975
Base-Backbone interact. energy: -0.000
local terms energy: -27.876002
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -5.413
flat angles C4'-P-C4' energy: -5.092
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -45.295175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.295175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.295175 (E_RNA)
where:
Base-Base interactions energy: -19.940
where: short stacking energy: -19.940
Base-Backbone interact. energy: -0.000
local terms energy: -25.355016
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -5.864
flat angles C4'-P-C4' energy: -5.423
flat angles P-C4'-P energy: -1.189
tors. eta vs tors. theta energy: -7.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -39.690032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.690032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.690032 (E_RNA)
where:
Base-Base interactions energy: -18.291
where: short stacking energy: -14.315
Base-Backbone interact. energy: -0.000
local terms energy: -21.398928
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -5.301
flat angles C4'-P-C4' energy: -4.439
flat angles P-C4'-P energy: -5.058
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: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -37.658121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.658121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.658121 (E_RNA)
where:
Base-Base interactions energy: -20.188
where: short stacking energy: -20.188
Base-Backbone interact. energy: -0.000
local terms energy: -17.470049
where:
bonds (distance) C4'-P energy: -4.309
bonds (distance) P-C4' energy: -2.664
flat angles C4'-P-C4' energy: -4.187
flat angles P-C4'-P energy: -1.467
tors. eta vs tors. theta energy: -4.843
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: 78
Temperature: 1.200000
Total energy: -36.745974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.745974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.745974 (E_RNA)
where:
Base-Base interactions energy: -17.554
where: short stacking energy: -7.227
Base-Backbone interact. energy: -0.065
local terms energy: -19.127046
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -5.576
flat angles C4'-P-C4' energy: -6.401
flat angles P-C4'-P energy: -1.799
tors. eta vs tors. theta energy: 0.361
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: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -36.535409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.535409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.535409 (E_RNA)
where:
Base-Base interactions energy: -20.211
where: short stacking energy: -12.217
Base-Backbone interact. energy: -0.036
local terms energy: -16.288305
where:
bonds (distance) C4'-P energy: -4.835
bonds (distance) P-C4' energy: -3.610
flat angles C4'-P-C4' energy: -3.402
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -35.900961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.900961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.900961 (E_RNA)
where:
Base-Base interactions energy: -13.387
where: short stacking energy: -13.387
Base-Backbone interact. energy: -0.000
local terms energy: -22.513686
where:
bonds (distance) C4'-P energy: -5.128
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -6.244
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -33.327271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.327271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.327271 (E_RNA)
where:
Base-Base interactions energy: -12.490
where: short stacking energy: -12.490
Base-Backbone interact. energy: -0.000
local terms energy: -20.836737
where:
bonds (distance) C4'-P energy: -5.153
bonds (distance) P-C4' energy: -3.575
flat angles C4'-P-C4' energy: -5.406
flat angles P-C4'-P energy: -4.051
tors. eta vs tors. theta energy: -2.652
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: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -54.607332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.607332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.607332 (E_RNA)
where:
Base-Base interactions energy: -23.905
where: short stacking energy: -23.905
Base-Backbone interact. energy: -0.000
local terms energy: -30.702097
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.108
flat angles P-C4'-P energy: -3.404
tors. eta vs tors. theta energy: -7.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -55.580343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.580343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.580343 (E_RNA)
where:
Base-Base interactions energy: -31.784
where: short stacking energy: -19.920
Base-Backbone interact. energy: -0.872
local terms energy: -22.923726
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -4.923
flat angles C4'-P-C4' energy: -4.479
flat angles P-C4'-P energy: -4.166
tors. eta vs tors. theta energy: -3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -44.467080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.467080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.467080 (E_RNA)
where:
Base-Base interactions energy: -18.281
where: short stacking energy: -18.281
Base-Backbone interact. energy: -0.006
local terms energy: -26.180135
where:
bonds (distance) C4'-P energy: -4.951
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -6.139
flat angles P-C4'-P energy: -3.697
tors. eta vs tors. theta energy: -5.434
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: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -45.352057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.352057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.352057 (E_RNA)
where:
Base-Base interactions energy: -18.860
where: short stacking energy: -18.860
Base-Backbone interact. energy: -0.001
local terms energy: -26.491638
where:
bonds (distance) C4'-P energy: -4.665
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.434
flat angles P-C4'-P energy: -4.232
tors. eta vs tors. theta energy: -5.027
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: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -38.372772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.372772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.372772 (E_RNA)
where:
Base-Base interactions energy: -18.503
where: short stacking energy: -18.503
Base-Backbone interact. energy: -0.006
local terms energy: -19.863925
where:
bonds (distance) C4'-P energy: -3.468
bonds (distance) P-C4' energy: -5.773
flat angles C4'-P-C4' energy: -5.910
flat angles P-C4'-P energy: -4.576
tors. eta vs tors. theta energy: -0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -40.601983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.601983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.601983 (E_RNA)
where:
Base-Base interactions energy: -16.633
where: short stacking energy: -16.633
Base-Backbone interact. energy: -0.081
local terms energy: -23.887925
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -4.728
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: -3.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -31.362628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.362628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.362628 (E_RNA)
where:
Base-Base interactions energy: -12.190
where: short stacking energy: -6.174
Base-Backbone interact. energy: -0.185
local terms energy: -18.987828
where:
bonds (distance) C4'-P energy: -4.992
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -5.953
flat angles P-C4'-P energy: -2.969
tors. eta vs tors. theta energy: -0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -35.434891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.434891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.434891 (E_RNA)
where:
Base-Base interactions energy: -14.381
where: short stacking energy: -14.381
Base-Backbone interact. energy: -0.003
local terms energy: -21.050804
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -4.614
flat angles C4'-P-C4' energy: -6.147
flat angles P-C4'-P energy: -2.350
tors. eta vs tors. theta energy: -2.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -34.496965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.496965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.496965 (E_RNA)
where:
Base-Base interactions energy: -14.157
where: short stacking energy: -14.157
Base-Backbone interact. energy: -0.004
local terms energy: -20.335983
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.446
flat angles P-C4'-P energy: -0.278
tors. eta vs tors. theta energy: -3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -34.345211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.345211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.345211 (E_RNA)
where:
Base-Base interactions energy: -14.057
where: short stacking energy: -14.057
Base-Backbone interact. energy: -0.000
local terms energy: -20.288203
where:
bonds (distance) C4'-P energy: -3.983
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -4.787
flat angles P-C4'-P energy: -1.742
tors. eta vs tors. theta energy: -3.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -48.412548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.412548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.412548 (E_RNA)
where:
Base-Base interactions energy: -22.234
where: short stacking energy: -22.234
Base-Backbone interact. energy: -0.000
local terms energy: -26.178649
where:
bonds (distance) C4'-P energy: -4.462
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -4.888
flat angles P-C4'-P energy: -3.821
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: 2, replica: 5
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -42.887041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.887041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.887041 (E_RNA)
where:
Base-Base interactions energy: -16.060
where: short stacking energy: -12.103
Base-Backbone interact. energy: -0.320
local terms energy: -26.506635
where:
bonds (distance) C4'-P energy: -6.031
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -6.002
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: -4.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -41.408807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.408807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.408807 (E_RNA)
where:
Base-Base interactions energy: -13.998
where: short stacking energy: -13.998
Base-Backbone interact. energy: -0.000
local terms energy: -27.410589
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -6.508
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -42.354376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.354376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.354376 (E_RNA)
where:
Base-Base interactions energy: -18.874
where: short stacking energy: -18.874
Base-Backbone interact. energy: -0.003
local terms energy: -23.476662
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -4.774
flat angles P-C4'-P energy: -3.713
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: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -40.623237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.623237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.623237 (E_RNA)
where:
Base-Base interactions energy: -15.739
where: short stacking energy: -15.739
Base-Backbone interact. energy: -0.031
local terms energy: -24.853033
where:
bonds (distance) C4'-P energy: -4.508
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.441
flat angles P-C4'-P energy: -3.998
tors. eta vs tors. theta energy: -4.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -36.973099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.973099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.973099 (E_RNA)
where:
Base-Base interactions energy: -12.624
where: short stacking energy: -12.624
Base-Backbone interact. energy: -0.000
local terms energy: -24.348745
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -4.530
flat angles P-C4'-P energy: -4.934
tors. eta vs tors. theta energy: -3.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -35.501385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.501385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.501385 (E_RNA)
where:
Base-Base interactions energy: -15.700
where: short stacking energy: -15.700
Base-Backbone interact. energy: -0.071
local terms energy: -19.730492
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -3.282
flat angles C4'-P-C4' energy: -3.881
flat angles P-C4'-P energy: -3.767
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: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -37.397089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.397089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.397089 (E_RNA)
where:
Base-Base interactions energy: -15.871
where: short stacking energy: -15.871
Base-Backbone interact. energy: -0.024
local terms energy: -21.502200
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -1.131
flat angles P-C4'-P energy: -3.478
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -33.582042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.582042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.582042 (E_RNA)
where:
Base-Base interactions energy: -14.833
where: short stacking energy: -14.833
Base-Backbone interact. energy: -0.035
local terms energy: -18.713458
where:
bonds (distance) C4'-P energy: -3.849
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -4.534
flat angles P-C4'-P energy: -0.268
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -32.901286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.901286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.901286 (E_RNA)
where:
Base-Base interactions energy: -12.162
where: short stacking energy: -12.162
Base-Backbone interact. energy: -0.001
local terms energy: -20.738583
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -5.748
flat angles C4'-P-C4' energy: -4.001
flat angles P-C4'-P energy: -4.187
tors. eta vs tors. theta energy: -2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -56.086669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.086669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.086669 (E_RNA)
where:
Base-Base interactions energy: -31.895
where: short stacking energy: -17.880
Base-Backbone interact. energy: -0.000
local terms energy: -24.191364
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -6.327
flat angles P-C4'-P energy: -3.834
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: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -46.245154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.245154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.245154 (E_RNA)
where:
Base-Base interactions energy: -20.119
where: short stacking energy: -14.656
Base-Backbone interact. energy: -0.011
local terms energy: -26.115268
where:
bonds (distance) C4'-P energy: -6.023
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.306
flat angles P-C4'-P energy: -3.019
tors. eta vs tors. theta energy: -4.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -51.633675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.633675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.633675 (E_RNA)
where:
Base-Base interactions energy: -25.184
where: short stacking energy: -25.184
Base-Backbone interact. energy: -0.000
local terms energy: -26.449483
where:
bonds (distance) C4'-P energy: -4.727
bonds (distance) P-C4' energy: -4.104
flat angles C4'-P-C4' energy: -5.282
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: -7.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -41.326162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.326162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.326162 (E_RNA)
where:
Base-Base interactions energy: -18.350
where: short stacking energy: -18.350
Base-Backbone interact. energy: -0.000
local terms energy: -22.975832
where:
bonds (distance) C4'-P energy: -4.214
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -5.852
flat angles P-C4'-P energy: -2.998
tors. eta vs tors. theta energy: -3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -40.525028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.525028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.525028 (E_RNA)
where:
Base-Base interactions energy: -17.854
where: short stacking energy: -17.854
Base-Backbone interact. energy: -0.000
local terms energy: -22.671469
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.361
flat angles C4'-P-C4' energy: -5.018
flat angles P-C4'-P energy: -1.321
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -44.762402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.762402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.762402 (E_RNA)
where:
Base-Base interactions energy: -17.211
where: short stacking energy: -16.170
Base-Backbone interact. energy: -0.000
local terms energy: -27.551351
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.976
flat angles P-C4'-P energy: -3.984
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: 7, replica: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -31.565801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.565801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.565801 (E_RNA)
where:
Base-Base interactions energy: -11.469
where: short stacking energy: -11.469
Base-Backbone interact. energy: -0.017
local terms energy: -20.079437
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -3.377
flat angles P-C4'-P energy: -2.671
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -35.471104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.471104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.471104 (E_RNA)
where:
Base-Base interactions energy: -14.491
where: short stacking energy: -14.491
Base-Backbone interact. energy: -0.000
local terms energy: -20.979795
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -2.799
flat angles C4'-P-C4' energy: -4.860
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -35.074180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.074180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.074180 (E_RNA)
where:
Base-Base interactions energy: -15.689
where: short stacking energy: -15.544
Base-Backbone interact. energy: -0.002
local terms energy: -19.383017
where:
bonds (distance) C4'-P energy: -4.367
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.115
flat angles P-C4'-P energy: -2.482
tors. eta vs tors. theta energy: -0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -36.457841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.457841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.457841 (E_RNA)
where:
Base-Base interactions energy: -13.640
where: short stacking energy: -13.640
Base-Backbone interact. energy: -0.321
local terms energy: -22.497271
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -4.145
flat angles P-C4'-P energy: -2.956
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -56.192090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.192090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.192090 (E_RNA)
where:
Base-Base interactions energy: -29.541
where: short stacking energy: -14.723
Base-Backbone interact. energy: -0.025
local terms energy: -26.626172
where:
bonds (distance) C4'-P energy: -6.254
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -6.820
flat angles P-C4'-P energy: -2.904
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: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -46.780665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.780665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.780665 (E_RNA)
where:
Base-Base interactions energy: -19.785
where: short stacking energy: -19.785
Base-Backbone interact. energy: -0.001
local terms energy: -26.994440
where:
bonds (distance) C4'-P energy: -4.682
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.429
flat angles P-C4'-P energy: -5.449
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: 3, replica: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -44.241780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.241780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.241780 (E_RNA)
where:
Base-Base interactions energy: -20.801
where: short stacking energy: -14.121
Base-Backbone interact. energy: -0.114
local terms energy: -23.326630
where:
bonds (distance) C4'-P energy: -5.099
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -4.047
tors. eta vs tors. theta energy: -3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -44.514924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.514924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.514924 (E_RNA)
where:
Base-Base interactions energy: -17.989
where: short stacking energy: -17.989
Base-Backbone interact. energy: -0.000
local terms energy: -26.525680
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -5.767
flat angles C4'-P-C4' energy: -5.128
flat angles P-C4'-P energy: -4.022
tors. eta vs tors. theta energy: -6.145
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: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -36.205897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.205897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.205897 (E_RNA)
where:
Base-Base interactions energy: -14.521
where: short stacking energy: -11.284
Base-Backbone interact. energy: -0.007
local terms energy: -21.678163
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -5.336
flat angles C4'-P-C4' energy: -5.807
flat angles P-C4'-P energy: -3.544
tors. eta vs tors. theta energy: -1.295
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: 6, replica: 3
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -43.281454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.281454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.281454 (E_RNA)
where:
Base-Base interactions energy: -17.847
where: short stacking energy: -17.847
Base-Backbone interact. energy: -0.000
local terms energy: -25.434757
where:
bonds (distance) C4'-P energy: -5.650
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.722
flat angles P-C4'-P energy: -4.495
tors. eta vs tors. theta energy: -3.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -33.248566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.248566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.248566 (E_RNA)
where:
Base-Base interactions energy: -12.131
where: short stacking energy: -12.131
Base-Backbone interact. energy: -0.021
local terms energy: -21.096992
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -4.219
flat angles P-C4'-P energy: -2.324
tors. eta vs tors. theta energy: -1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -38.146044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.146044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.146044 (E_RNA)
where:
Base-Base interactions energy: -14.239
where: short stacking energy: -13.876
Base-Backbone interact. energy: -0.001
local terms energy: -23.905995
where:
bonds (distance) C4'-P energy: -5.651
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -3.378
flat angles P-C4'-P energy: -3.563
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -35.873948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.873948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.873948 (E_RNA)
where:
Base-Base interactions energy: -13.814
where: short stacking energy: -13.814
Base-Backbone interact. energy: -0.000
local terms energy: -22.059549
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -5.953
flat angles P-C4'-P energy: -1.260
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: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -38.578220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.578220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.578220 (E_RNA)
where:
Base-Base interactions energy: -18.741
where: short stacking energy: -18.741
Base-Backbone interact. energy: -0.000
local terms energy: -19.836769
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -4.895
flat angles C4'-P-C4' energy: -3.746
flat angles P-C4'-P energy: -1.794
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -49.996034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.996034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.996034 (E_RNA)
where:
Base-Base interactions energy: -24.254
where: short stacking energy: -12.349
Base-Backbone interact. energy: -0.093
local terms energy: -25.649158
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -4.274
flat angles P-C4'-P energy: -4.373
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: 2, replica: 10
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -42.032739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.032739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.032739 (E_RNA)
where:
Base-Base interactions energy: -17.056
where: short stacking energy: -17.056
Base-Backbone interact. energy: -0.000
local terms energy: -24.976435
where:
bonds (distance) C4'-P energy: -4.587
bonds (distance) P-C4' energy: -5.896
flat angles C4'-P-C4' energy: -6.578
flat angles P-C4'-P energy: -4.347
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -44.170461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.170461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.170461 (E_RNA)
where:
Base-Base interactions energy: -21.655
where: short stacking energy: -21.655
Base-Backbone interact. energy: -0.025
local terms energy: -22.490168
where:
bonds (distance) C4'-P energy: -4.532
bonds (distance) P-C4' energy: -5.491
flat angles C4'-P-C4' energy: -4.951
flat angles P-C4'-P energy: -3.304
tors. eta vs tors. theta energy: -4.213
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: 1
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -40.672987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.672987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.672987 (E_RNA)
where:
Base-Base interactions energy: -17.195
where: short stacking energy: -15.957
Base-Backbone interact. energy: -0.000
local terms energy: -23.478078
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -6.127
flat angles P-C4'-P energy: -2.989
tors. eta vs tors. theta energy: -2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -41.218037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.218037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.218037 (E_RNA)
where:
Base-Base interactions energy: -17.585
where: short stacking energy: -17.585
Base-Backbone interact. energy: -0.000
local terms energy: -23.633401
where:
bonds (distance) C4'-P energy: -5.953
bonds (distance) P-C4' energy: -4.131
flat angles C4'-P-C4' energy: -5.492
flat angles P-C4'-P energy: -3.030
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: 6, replica: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -46.215068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.215068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.215068 (E_RNA)
where:
Base-Base interactions energy: -28.606
where: short stacking energy: -14.635
Base-Backbone interact. energy: -0.045
local terms energy: -17.564208
where:
bonds (distance) C4'-P energy: -3.804
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -2.589
flat angles P-C4'-P energy: -3.809
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -39.951755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.951755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.951755 (E_RNA)
where:
Base-Base interactions energy: -12.477
where: short stacking energy: -12.477
Base-Backbone interact. energy: -0.000
local terms energy: -27.474131
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -6.588
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -4.194
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: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -39.570801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.570801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.570801 (E_RNA)
where:
Base-Base interactions energy: -16.169
where: short stacking energy: -16.169
Base-Backbone interact. energy: -0.007
local terms energy: -23.395258
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -3.485
flat angles C4'-P-C4' energy: -5.695
flat angles P-C4'-P energy: -4.095
tors. eta vs tors. theta energy: -4.309
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: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -33.585797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.585797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.585797 (E_RNA)
where:
Base-Base interactions energy: -14.175
where: short stacking energy: -14.175
Base-Backbone interact. energy: -0.000
local terms energy: -19.410593
where:
bonds (distance) C4'-P energy: -4.011
bonds (distance) P-C4' energy: -5.734
flat angles C4'-P-C4' energy: -4.718
flat angles P-C4'-P energy: -3.261
tors. eta vs tors. theta energy: -1.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -35.609431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.609431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.609431 (E_RNA)
where:
Base-Base interactions energy: -16.598
where: short stacking energy: -16.598
Base-Backbone interact. energy: -0.003
local terms energy: -19.008911
where:
bonds (distance) C4'-P energy: -3.523
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -2.691
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -45.877689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.877689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.877689 (E_RNA)
where:
Base-Base interactions energy: -19.961
where: short stacking energy: -19.961
Base-Backbone interact. energy: -0.000
local terms energy: -25.916633
where:
bonds (distance) C4'-P energy: -5.617
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -6.377
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: -4.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -48.488774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.488774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.488774 (E_RNA)
where:
Base-Base interactions energy: -23.646
where: short stacking energy: -23.646
Base-Backbone interact. energy: -0.000
local terms energy: -24.843026
where:
bonds (distance) C4'-P energy: -4.098
bonds (distance) P-C4' energy: -5.082
flat angles C4'-P-C4' energy: -5.758
flat angles P-C4'-P energy: -4.099
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: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -46.147518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.147518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.147518 (E_RNA)
where:
Base-Base interactions energy: -21.107
where: short stacking energy: -21.107
Base-Backbone interact. energy: -0.000
local terms energy: -25.040061
where:
bonds (distance) C4'-P energy: -5.278
bonds (distance) P-C4' energy: -4.659
flat angles C4'-P-C4' energy: -4.512
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -4.991
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: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -47.873883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.873883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.873883 (E_RNA)
where:
Base-Base interactions energy: -21.391
where: short stacking energy: -21.391
Base-Backbone interact. energy: -0.000
local terms energy: -26.483080
where:
bonds (distance) C4'-P energy: -5.510
bonds (distance) P-C4' energy: -5.991
flat angles C4'-P-C4' energy: -5.378
flat angles P-C4'-P energy: -4.670
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: 5, replica: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -45.410956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.410956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.410956 (E_RNA)
where:
Base-Base interactions energy: -19.304
where: short stacking energy: -19.304
Base-Backbone interact. energy: -0.000
local terms energy: -26.106554
where:
bonds (distance) C4'-P energy: -4.238
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.817
flat angles P-C4'-P energy: -3.163
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: 6, replica: 5
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -35.716437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.716437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.716437 (E_RNA)
where:
Base-Base interactions energy: -14.051
where: short stacking energy: -14.051
Base-Backbone interact. energy: -0.000
local terms energy: -21.665592
where:
bonds (distance) C4'-P energy: -5.169
bonds (distance) P-C4' energy: -2.768
flat angles C4'-P-C4' energy: -5.378
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -38.158740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.158740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.158740 (E_RNA)
where:
Base-Base interactions energy: -14.142
where: short stacking energy: -14.142
Base-Backbone interact. energy: -0.000
local terms energy: -24.017016
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.349
flat angles P-C4'-P energy: -2.907
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -35.361039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.361039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.361039 (E_RNA)
where:
Base-Base interactions energy: -11.521
where: short stacking energy: -11.521
Base-Backbone interact. energy: -0.076
local terms energy: -23.764485
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.364
flat angles C4'-P-C4' energy: -5.965
flat angles P-C4'-P energy: -3.217
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: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -32.551036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.551036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.551036 (E_RNA)
where:
Base-Base interactions energy: -10.656
where: short stacking energy: -10.656
Base-Backbone interact. energy: -0.074
local terms energy: -21.820804
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -5.773
flat angles C4'-P-C4' energy: -6.038
flat angles P-C4'-P energy: -2.894
tors. eta vs tors. theta energy: -1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -31.342909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.342909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.342909 (E_RNA)
where:
Base-Base interactions energy: -9.752
where: short stacking energy: -9.752
Base-Backbone interact. energy: -0.001
local terms energy: -21.589650
where:
bonds (distance) C4'-P energy: -4.268
bonds (distance) P-C4' energy: -5.110
flat angles C4'-P-C4' energy: -4.599
flat angles P-C4'-P energy: -4.324
tors. eta vs tors. theta energy: -3.289
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: 1, replica: 10
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -45.849825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.849825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.849825 (E_RNA)
where:
Base-Base interactions energy: -19.306
where: short stacking energy: -19.306
Base-Backbone interact. energy: -0.000
local terms energy: -26.543462
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -4.463
flat angles C4'-P-C4' energy: -6.287
flat angles P-C4'-P energy: -5.083
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -41.866188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.866188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.866188 (E_RNA)
where:
Base-Base interactions energy: -17.738
where: short stacking energy: -17.738
Base-Backbone interact. energy: -0.000
local terms energy: -24.128429
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -4.433
flat angles P-C4'-P energy: -4.289
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: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -44.500271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.500271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.500271 (E_RNA)
where:
Base-Base interactions energy: -20.007
where: short stacking energy: -20.007
Base-Backbone interact. energy: -0.001
local terms energy: -24.491729
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -4.925
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -42.412324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.412324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.412324 (E_RNA)
where:
Base-Base interactions energy: -17.585
where: short stacking energy: -17.585
Base-Backbone interact. energy: -0.099
local terms energy: -24.728305
where:
bonds (distance) C4'-P energy: -5.145
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -2.772
flat angles P-C4'-P energy: -4.022
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: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -40.553790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.553790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.553790 (E_RNA)
where:
Base-Base interactions energy: -18.999
where: short stacking energy: -18.999
Base-Backbone interact. energy: -0.000
local terms energy: -21.555039
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -5.052
flat angles P-C4'-P energy: -2.007
tors. eta vs tors. theta energy: -3.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -43.250341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.250341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.250341 (E_RNA)
where:
Base-Base interactions energy: -19.969
where: short stacking energy: -19.969
Base-Backbone interact. energy: -0.001
local terms energy: -23.280673
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -1.853
flat angles P-C4'-P energy: -3.986
tors. eta vs tors. theta energy: -5.107
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: 7, replica: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -37.314733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.314733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.314733 (E_RNA)
where:
Base-Base interactions energy: -15.721
where: short stacking energy: -15.721
Base-Backbone interact. energy: -0.000
local terms energy: -21.593591
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -4.230
flat angles C4'-P-C4' energy: -5.744
flat angles P-C4'-P energy: -3.624
tors. eta vs tors. theta energy: -2.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -33.083956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.083956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.083956 (E_RNA)
where:
Base-Base interactions energy: -15.268
where: short stacking energy: -7.727
Base-Backbone interact. energy: -0.072
local terms energy: -17.744637
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -3.746
flat angles P-C4'-P energy: -1.445
tors. eta vs tors. theta energy: -1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -36.110196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.110196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.110196 (E_RNA)
where:
Base-Base interactions energy: -21.686
where: short stacking energy: -8.588
Base-Backbone interact. energy: 0.595
local terms energy: -15.018953
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -2.578
flat angles P-C4'-P energy: -2.313
tors. eta vs tors. theta energy: 1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -32.146842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.146842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.146842 (E_RNA)
where:
Base-Base interactions energy: -12.768
where: short stacking energy: -12.768
Base-Backbone interact. energy: -0.000
local terms energy: -19.379261
where:
bonds (distance) C4'-P energy: -4.143
bonds (distance) P-C4' energy: -6.156
flat angles C4'-P-C4' energy: -5.245
flat angles P-C4'-P energy: -0.282
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: 1, replica: 10
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -45.358525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.358525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.358525 (E_RNA)
where:
Base-Base interactions energy: -20.144
where: short stacking energy: -20.144
Base-Backbone interact. energy: -0.001
local terms energy: -25.213250
where:
bonds (distance) C4'-P energy: -2.396
bonds (distance) P-C4' energy: -5.826
flat angles C4'-P-C4' energy: -6.013
flat angles P-C4'-P energy: -4.136
tors. eta vs tors. theta energy: -6.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -51.126157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.126157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.126157 (E_RNA)
where:
Base-Base interactions energy: -22.116
where: short stacking energy: -22.116
Base-Backbone interact. energy: -0.000
local terms energy: -29.009661
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -6.124
flat angles C4'-P-C4' energy: -6.118
flat angles P-C4'-P energy: -3.415
tors. eta vs tors. theta energy: -7.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -46.199232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.199232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.199232 (E_RNA)
where:
Base-Base interactions energy: -22.091
where: short stacking energy: -19.865
Base-Backbone interact. energy: -0.000
local terms energy: -24.108026
where:
bonds (distance) C4'-P energy: -4.496
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.792
flat angles P-C4'-P energy: -1.897
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: 4, replica: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -41.298607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.298607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.298607 (E_RNA)
where:
Base-Base interactions energy: -16.320
where: short stacking energy: -16.320
Base-Backbone interact. energy: -0.000
local terms energy: -24.978713
where:
bonds (distance) C4'-P energy: -5.225
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -5.872
flat angles P-C4'-P energy: -4.111
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -39.453413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.453413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.453413 (E_RNA)
where:
Base-Base interactions energy: -17.191
where: short stacking energy: -17.191
Base-Backbone interact. energy: -0.022
local terms energy: -22.240031
where:
bonds (distance) C4'-P energy: -4.802
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -5.040
flat angles P-C4'-P energy: -4.225
tors. eta vs tors. theta energy: -3.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -40.861492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.861492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.861492 (E_RNA)
where:
Base-Base interactions energy: -17.541
where: short stacking energy: -17.541
Base-Backbone interact. energy: -0.000
local terms energy: -23.319849
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -5.691
flat angles P-C4'-P energy: -2.955
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -33.853673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.853673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.853673 (E_RNA)
where:
Base-Base interactions energy: -9.755
where: short stacking energy: -9.755
Base-Backbone interact. energy: -0.000
local terms energy: -24.098714
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.884
flat angles P-C4'-P energy: -4.529
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -32.351681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.351681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.351681 (E_RNA)
where:
Base-Base interactions energy: -12.824
where: short stacking energy: -12.824
Base-Backbone interact. energy: -0.014
local terms energy: -19.514189
where:
bonds (distance) C4'-P energy: -4.723
bonds (distance) P-C4' energy: -5.374
flat angles C4'-P-C4' energy: -3.620
flat angles P-C4'-P energy: -2.687
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -36.163194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.163194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.163194 (E_RNA)
where:
Base-Base interactions energy: -13.184
where: short stacking energy: -13.184
Base-Backbone interact. energy: -0.003
local terms energy: -22.976497
where:
bonds (distance) C4'-P energy: -4.955
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -5.673
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -0.864
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: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -30.857714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.857714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.857714 (E_RNA)
where:
Base-Base interactions energy: -15.606
where: short stacking energy: -15.606
Base-Backbone interact. energy: -0.000
local terms energy: -15.251501
where:
bonds (distance) C4'-P energy: -3.253
bonds (distance) P-C4' energy: -5.153
flat angles C4'-P-C4' energy: 0.157
flat angles P-C4'-P energy: -2.632
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -49.211536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.211536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.211536 (E_RNA)
where:
Base-Base interactions energy: -23.403
where: short stacking energy: -23.403
Base-Backbone interact. energy: -0.000
local terms energy: -25.808732
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.871
flat angles C4'-P-C4' energy: -5.286
flat angles P-C4'-P energy: -2.655
tors. eta vs tors. theta energy: -5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -48.082263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.082263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.082263 (E_RNA)
where:
Base-Base interactions energy: -21.762
where: short stacking energy: -21.762
Base-Backbone interact. energy: -0.000
local terms energy: -26.320576
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.129
flat angles C4'-P-C4' energy: -5.291
flat angles P-C4'-P energy: -3.431
tors. eta vs tors. theta energy: -5.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -46.252498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.252498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.252498 (E_RNA)
where:
Base-Base interactions energy: -18.666
where: short stacking energy: -18.666
Base-Backbone interact. energy: -0.086
local terms energy: -27.500531
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.365
flat angles C4'-P-C4' energy: -4.784
flat angles P-C4'-P energy: -4.310
tors. eta vs tors. theta energy: -5.812
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: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -38.718335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.718335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.718335 (E_RNA)
where:
Base-Base interactions energy: -16.135
where: short stacking energy: -16.135
Base-Backbone interact. energy: -0.000
local terms energy: -22.583255
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -5.268
flat angles P-C4'-P energy: -3.597
tors. eta vs tors. theta energy: -0.996
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: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -40.213742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.213742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.213742 (E_RNA)
where:
Base-Base interactions energy: -15.539
where: short stacking energy: -15.539
Base-Backbone interact. energy: -0.000
local terms energy: -24.674443
where:
bonds (distance) C4'-P energy: -5.982
bonds (distance) P-C4' energy: -6.209
flat angles C4'-P-C4' energy: -3.068
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -37.020996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.020996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.020996 (E_RNA)
where:
Base-Base interactions energy: -15.186
where: short stacking energy: -13.249
Base-Backbone interact. energy: -0.038
local terms energy: -21.796657
where:
bonds (distance) C4'-P energy: -3.841
bonds (distance) P-C4' energy: -5.301
flat angles C4'-P-C4' energy: -5.995
flat angles P-C4'-P energy: -4.228
tors. eta vs tors. theta energy: -2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -37.508707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.508707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.508707 (E_RNA)
where:
Base-Base interactions energy: -11.871
where: short stacking energy: -11.871
Base-Backbone interact. energy: -0.078
local terms energy: -25.560209
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.244
flat angles P-C4'-P energy: -3.515
tors. eta vs tors. theta energy: -3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -31.662110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.662110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.662110 (E_RNA)
where:
Base-Base interactions energy: -10.417
where: short stacking energy: -10.417
Base-Backbone interact. energy: -0.001
local terms energy: -21.244074
where:
bonds (distance) C4'-P energy: -4.339
bonds (distance) P-C4' energy: -5.301
flat angles C4'-P-C4' energy: -4.385
flat angles P-C4'-P energy: -3.475
tors. eta vs tors. theta energy: -3.745
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: 5
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -34.537911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.537911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.537911 (E_RNA)
where:
Base-Base interactions energy: -16.808
where: short stacking energy: -11.049
Base-Backbone interact. energy: -0.001
local terms energy: -17.728376
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -4.187
flat angles P-C4'-P energy: -2.871
tors. eta vs tors. theta energy: 1.211
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: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -32.362773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.362773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.362773 (E_RNA)
where:
Base-Base interactions energy: -13.758
where: short stacking energy: -13.758
Base-Backbone interact. energy: -0.026
local terms energy: -18.579181
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -4.239
flat angles C4'-P-C4' energy: -6.224
flat angles P-C4'-P energy: -3.386
tors. eta vs tors. theta energy: 0.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -48.924430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.924430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.924430 (E_RNA)
where:
Base-Base interactions energy: -20.235
where: short stacking energy: -20.235
Base-Backbone interact. energy: -0.000
local terms energy: -28.689041
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -4.220
flat angles P-C4'-P energy: -4.269
tors. eta vs tors. theta energy: -7.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -54.543833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.543833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.543833 (E_RNA)
where:
Base-Base interactions energy: -25.115
where: short stacking energy: -25.115
Base-Backbone interact. energy: -0.000
local terms energy: -29.429040
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -5.212
flat angles P-C4'-P energy: -4.677
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: 3, replica: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -43.785418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.785418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.785418 (E_RNA)
where:
Base-Base interactions energy: -22.074
where: short stacking energy: -22.074
Base-Backbone interact. energy: -0.000
local terms energy: -21.711734
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -4.917
flat angles C4'-P-C4' energy: -6.152
flat angles P-C4'-P energy: -1.057
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -46.908055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.908055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.908055 (E_RNA)
where:
Base-Base interactions energy: -21.030
where: short stacking energy: -21.030
Base-Backbone interact. energy: -0.000
local terms energy: -25.877726
where:
bonds (distance) C4'-P energy: -6.276
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.897
flat angles P-C4'-P energy: -1.357
tors. eta vs tors. theta energy: -6.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -47.237199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.237199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.237199 (E_RNA)
where:
Base-Base interactions energy: -27.582
where: short stacking energy: -15.892
Base-Backbone interact. energy: -0.072
local terms energy: -19.583884
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -4.542
flat angles C4'-P-C4' energy: -5.567
flat angles P-C4'-P energy: -1.838
tors. eta vs tors. theta energy: -2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -37.702088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.702088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.702088 (E_RNA)
where:
Base-Base interactions energy: -14.288
where: short stacking energy: -14.288
Base-Backbone interact. energy: -0.001
local terms energy: -23.413002
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.391
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: -2.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -36.260521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.260521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.260521 (E_RNA)
where:
Base-Base interactions energy: -14.972
where: short stacking energy: -14.972
Base-Backbone interact. energy: -0.013
local terms energy: -21.276189
where:
bonds (distance) C4'-P energy: -5.241
bonds (distance) P-C4' energy: -4.264
flat angles C4'-P-C4' energy: -4.823
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: -2.187
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: 8, replica: 3
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -37.338407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.338407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.338407 (E_RNA)
where:
Base-Base interactions energy: -13.882
where: short stacking energy: -13.882
Base-Backbone interact. energy: -0.000
local terms energy: -23.456621
where:
bonds (distance) C4'-P energy: -3.555
bonds (distance) P-C4' energy: -5.082
flat angles C4'-P-C4' energy: -6.109
flat angles P-C4'-P energy: -3.367
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -36.996518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.996518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.996518 (E_RNA)
where:
Base-Base interactions energy: -19.012
where: short stacking energy: -6.151
Base-Backbone interact. energy: -0.159
local terms energy: -17.825364
where:
bonds (distance) C4'-P energy: -3.999
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.638
flat angles P-C4'-P energy: -3.082
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: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -30.525709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.525709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.525709 (E_RNA)
where:
Base-Base interactions energy: -11.095
where: short stacking energy: -11.095
Base-Backbone interact. energy: -0.001
local terms energy: -19.429277
where:
bonds (distance) C4'-P energy: -3.990
bonds (distance) P-C4' energy: -4.227
flat angles C4'-P-C4' energy: -5.718
flat angles P-C4'-P energy: -2.390
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -43.456827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.456827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.456827 (E_RNA)
where:
Base-Base interactions energy: -19.913
where: short stacking energy: -19.913
Base-Backbone interact. energy: -0.029
local terms energy: -23.515663
where:
bonds (distance) C4'-P energy: -5.207
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.066
flat angles P-C4'-P energy: -4.294
tors. eta vs tors. theta energy: -2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -49.363193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.363193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.363193 (E_RNA)
where:
Base-Base interactions energy: -21.604
where: short stacking energy: -21.604
Base-Backbone interact. energy: -0.000
local terms energy: -27.759596
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -5.086
flat angles C4'-P-C4' energy: -6.004
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -7.433
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: 3, replica: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -50.809244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.809244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.809244 (E_RNA)
where:
Base-Base interactions energy: -29.437
where: short stacking energy: -13.440
Base-Backbone interact. energy: -0.003
local terms energy: -21.369471
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -6.067
flat angles P-C4'-P energy: -2.869
tors. eta vs tors. theta energy: -1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -43.349044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.349044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.349044 (E_RNA)
where:
Base-Base interactions energy: -15.779
where: short stacking energy: -15.779
Base-Backbone interact. energy: -0.008
local terms energy: -27.562526
where:
bonds (distance) C4'-P energy: -5.145
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.936
flat angles P-C4'-P energy: -4.376
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -38.143027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.143027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.143027 (E_RNA)
where:
Base-Base interactions energy: -13.504
where: short stacking energy: -13.504
Base-Backbone interact. energy: -0.001
local terms energy: -24.638669
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -5.833
flat angles C4'-P-C4' energy: -4.547
flat angles P-C4'-P energy: -4.169
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: 6, replica: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -35.704269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.704269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.704269 (E_RNA)
where:
Base-Base interactions energy: -17.338
where: short stacking energy: -17.338
Base-Backbone interact. energy: -0.018
local terms energy: -18.347721
where:
bonds (distance) C4'-P energy: -4.417
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -4.295
flat angles P-C4'-P energy: -3.526
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: 7, replica: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -38.785384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.785384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.785384 (E_RNA)
where:
Base-Base interactions energy: -16.185
where: short stacking energy: -16.185
Base-Backbone interact. energy: -0.000
local terms energy: -22.600512
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -5.057
flat angles C4'-P-C4' energy: -5.556
flat angles P-C4'-P energy: -2.910
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -35.253047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.253047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.253047 (E_RNA)
where:
Base-Base interactions energy: -14.145
where: short stacking energy: -14.145
Base-Backbone interact. energy: -0.000
local terms energy: -21.107597
where:
bonds (distance) C4'-P energy: -2.293
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.444
flat angles P-C4'-P energy: -3.562
tors. eta vs tors. theta energy: -2.676
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: 3
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -34.049384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.049384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.049384 (E_RNA)
where:
Base-Base interactions energy: -14.062
where: short stacking energy: -14.062
Base-Backbone interact. energy: -0.000
local terms energy: -19.987024
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -3.993
flat angles P-C4'-P energy: -2.775
tors. eta vs tors. theta energy: -2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -34.167598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.167598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.167598 (E_RNA)
where:
Base-Base interactions energy: -16.753
where: short stacking energy: -3.225
Base-Backbone interact. energy: -0.045
local terms energy: -17.369882
where:
bonds (distance) C4'-P energy: -5.349
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -1.602
flat angles P-C4'-P energy: -2.771
tors. eta vs tors. theta energy: -1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -41.353092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.353092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.353092 (E_RNA)
where:
Base-Base interactions energy: -18.956
where: short stacking energy: -18.956
Base-Backbone interact. energy: -0.022
local terms energy: -22.375455
where:
bonds (distance) C4'-P energy: -4.694
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.948
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: -2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -48.640309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.640309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.640309 (E_RNA)
where:
Base-Base interactions energy: -25.523
where: short stacking energy: -16.157
Base-Backbone interact. energy: -0.000
local terms energy: -23.116984
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -5.025
flat angles P-C4'-P energy: -3.124
tors. eta vs tors. theta energy: -4.300
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: 3, replica: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -50.481872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.481872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.481872 (E_RNA)
where:
Base-Base interactions energy: -20.784
where: short stacking energy: -20.784
Base-Backbone interact. energy: -0.000
local terms energy: -29.697949
where:
bonds (distance) C4'-P energy: -5.104
bonds (distance) P-C4' energy: -5.304
flat angles C4'-P-C4' energy: -6.544
flat angles P-C4'-P energy: -5.040
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: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -43.291542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.291542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.291542 (E_RNA)
where:
Base-Base interactions energy: -19.609
where: short stacking energy: -19.609
Base-Backbone interact. energy: -1.493
local terms energy: -22.189770
where:
bonds (distance) C4'-P energy: -3.527
bonds (distance) P-C4' energy: -5.773
flat angles C4'-P-C4' energy: -4.273
flat angles P-C4'-P energy: -3.994
tors. eta vs tors. theta energy: -4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -46.268754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.268754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.268754 (E_RNA)
where:
Base-Base interactions energy: -25.828
where: short stacking energy: -12.858
Base-Backbone interact. energy: -0.001
local terms energy: -20.439292
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -5.537
flat angles C4'-P-C4' energy: -3.646
flat angles P-C4'-P energy: -2.885
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -37.232248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.232248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.232248 (E_RNA)
where:
Base-Base interactions energy: -15.448
where: short stacking energy: -15.448
Base-Backbone interact. energy: -0.000
local terms energy: -21.783953
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -4.822
flat angles P-C4'-P energy: -0.875
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: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -35.181144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.181144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.181144 (E_RNA)
where:
Base-Base interactions energy: -13.398
where: short stacking energy: -13.398
Base-Backbone interact. energy: -0.000
local terms energy: -21.782972
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -5.146
flat angles C4'-P-C4' energy: -4.234
flat angles P-C4'-P energy: -3.643
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: 8, replica: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -41.032256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.032256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.032256 (E_RNA)
where:
Base-Base interactions energy: -19.820
where: short stacking energy: -19.820
Base-Backbone interact. energy: -0.000
local terms energy: -21.212080
where:
bonds (distance) C4'-P energy: -0.811
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -5.941
flat angles P-C4'-P energy: -3.141
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -35.183671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.183671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.183671 (E_RNA)
where:
Base-Base interactions energy: -14.473
where: short stacking energy: -14.473
Base-Backbone interact. energy: -0.006
local terms energy: -20.704204
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -3.404
flat angles P-C4'-P energy: -1.699
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: 10, replica: 3
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -28.429765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.429765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.429765 (E_RNA)
where:
Base-Base interactions energy: -9.623
where: short stacking energy: -9.623
Base-Backbone interact. energy: -0.000
local terms energy: -18.806401
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -4.930
flat angles P-C4'-P energy: -1.865
tors. eta vs tors. theta energy: -1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -47.021123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.021123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.021123 (E_RNA)
where:
Base-Base interactions energy: -21.380
where: short stacking energy: -21.380
Base-Backbone interact. energy: -0.004
local terms energy: -25.637170
where:
bonds (distance) C4'-P energy: -5.244
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -5.428
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -3.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -45.575763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.575763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.575763 (E_RNA)
where:
Base-Base interactions energy: -19.540
where: short stacking energy: -19.540
Base-Backbone interact. energy: -0.000
local terms energy: -26.035494
where:
bonds (distance) C4'-P energy: -3.671
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -6.026
flat angles P-C4'-P energy: -2.944
tors. eta vs tors. theta energy: -7.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -41.188985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.188985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.188985 (E_RNA)
where:
Base-Base interactions energy: -18.395
where: short stacking energy: -14.653
Base-Backbone interact. energy: -0.753
local terms energy: -22.040606
where:
bonds (distance) C4'-P energy: -4.132
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -3.479
flat angles P-C4'-P energy: -2.553
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: 4, replica: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -40.539040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.539040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.539040 (E_RNA)
where:
Base-Base interactions energy: -22.183
where: short stacking energy: -8.054
Base-Backbone interact. energy: -1.349
local terms energy: -17.006503
where:
bonds (distance) C4'-P energy: -4.036
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -3.360
flat angles P-C4'-P energy: -4.926
tors. eta vs tors. theta energy: -0.254
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: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -37.539539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.539539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.539539 (E_RNA)
where:
Base-Base interactions energy: -17.908
where: short stacking energy: -17.855
Base-Backbone interact. energy: -0.011
local terms energy: -19.620630
where:
bonds (distance) C4'-P energy: -4.454
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.385
flat angles P-C4'-P energy: -1.638
tors. eta vs tors. theta energy: -1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -37.317267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.317267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.317267 (E_RNA)
where:
Base-Base interactions energy: -14.432
where: short stacking energy: -14.432
Base-Backbone interact. energy: -0.001
local terms energy: -22.884778
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.872
flat angles P-C4'-P energy: -1.937
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: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -33.607353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.607353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.607353 (E_RNA)
where:
Base-Base interactions energy: -10.140
where: short stacking energy: -10.140
Base-Backbone interact. energy: -0.000
local terms energy: -23.466861
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.603
flat angles C4'-P-C4' energy: -5.495
flat angles P-C4'-P energy: -4.390
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: 8, replica: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -38.348317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.348317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.348317 (E_RNA)
where:
Base-Base interactions energy: -15.010
where: short stacking energy: -15.010
Base-Backbone interact. energy: -0.000
local terms energy: -23.338001
where:
bonds (distance) C4'-P energy: -3.891
bonds (distance) P-C4' energy: -6.678
flat angles C4'-P-C4' energy: -4.762
flat angles P-C4'-P energy: -3.589
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -40.337223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.337223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.337223 (E_RNA)
where:
Base-Base interactions energy: -14.590
where: short stacking energy: -14.590
Base-Backbone interact. energy: -0.002
local terms energy: -25.745015
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -5.705
flat angles C4'-P-C4' energy: -5.833
flat angles P-C4'-P energy: -3.927
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -33.737896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.737896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.737896 (E_RNA)
where:
Base-Base interactions energy: -13.251
where: short stacking energy: -10.470
Base-Backbone interact. energy: -0.101
local terms energy: -20.386013
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -4.005
flat angles P-C4'-P energy: -3.428
tors. eta vs tors. theta energy: -0.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -44.848909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.848909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.848909 (E_RNA)
where:
Base-Base interactions energy: -20.004
where: short stacking energy: -20.004
Base-Backbone interact. energy: -0.000
local terms energy: -24.845313
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -4.615
flat angles P-C4'-P energy: -4.232
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: 2, replica: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -44.994519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.994519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.994519 (E_RNA)
where:
Base-Base interactions energy: -18.813
where: short stacking energy: -15.508
Base-Backbone interact. energy: -0.049
local terms energy: -26.132295
where:
bonds (distance) C4'-P energy: -5.253
bonds (distance) P-C4' energy: -5.209
flat angles C4'-P-C4' energy: -5.922
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -4.465
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: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -46.007069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.007069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.007069 (E_RNA)
where:
Base-Base interactions energy: -21.545
where: short stacking energy: -21.545
Base-Backbone interact. energy: -0.042
local terms energy: -24.420418
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -3.973
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -40.051315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.051315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.051315 (E_RNA)
where:
Base-Base interactions energy: -16.822
where: short stacking energy: -8.578
Base-Backbone interact. energy: -0.009
local terms energy: -23.220859
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -6.361
flat angles P-C4'-P energy: -3.829
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -37.074582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.074582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.074582 (E_RNA)
where:
Base-Base interactions energy: -16.680
where: short stacking energy: -16.680
Base-Backbone interact. energy: -0.004
local terms energy: -20.390615
where:
bonds (distance) C4'-P energy: -4.587
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -1.233
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -47.342954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.342954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.342954 (E_RNA)
where:
Base-Base interactions energy: -24.312
where: short stacking energy: -12.057
Base-Backbone interact. energy: -0.072
local terms energy: -22.958639
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -5.445
flat angles C4'-P-C4' energy: -6.136
flat angles P-C4'-P energy: -1.408
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -36.253054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.253054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.253054 (E_RNA)
where:
Base-Base interactions energy: -15.634
where: short stacking energy: -10.665
Base-Backbone interact. energy: -0.394
local terms energy: -20.224240
where:
bonds (distance) C4'-P energy: -4.595
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -4.990
flat angles P-C4'-P energy: -2.867
tors. eta vs tors. theta energy: -0.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -37.031125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.031125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.031125 (E_RNA)
where:
Base-Base interactions energy: -17.445
where: short stacking energy: -17.445
Base-Backbone interact. energy: -0.100
local terms energy: -19.486244
where:
bonds (distance) C4'-P energy: -2.127
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -4.756
flat angles P-C4'-P energy: -2.601
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: 9, replica: 3
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -29.820901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.820901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.820901 (E_RNA)
where:
Base-Base interactions energy: -15.724
where: short stacking energy: -11.860
Base-Backbone interact. energy: -0.009
local terms energy: -14.087582
where:
bonds (distance) C4'-P energy: -5.109
bonds (distance) P-C4' energy: -2.898
flat angles C4'-P-C4' energy: -5.206
flat angles P-C4'-P energy: -2.314
tors. eta vs tors. theta energy: 1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -32.042675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.042675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.042675 (E_RNA)
where:
Base-Base interactions energy: -14.404
where: short stacking energy: -14.404
Base-Backbone interact. energy: -0.003
local terms energy: -17.635634
where:
bonds (distance) C4'-P energy: -3.530
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -4.393
flat angles P-C4'-P energy: -0.197
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -48.225701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.225701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.225701 (E_RNA)
where:
Base-Base interactions energy: -21.143
where: short stacking energy: -21.143
Base-Backbone interact. energy: -0.000
local terms energy: -27.083075
where:
bonds (distance) C4'-P energy: -5.306
bonds (distance) P-C4' energy: -5.594
flat angles C4'-P-C4' energy: -4.082
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -7.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -45.426240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.426240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.426240 (E_RNA)
where:
Base-Base interactions energy: -23.432
where: short stacking energy: -12.966
Base-Backbone interact. energy: -0.000
local terms energy: -21.994170
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -4.184
flat angles P-C4'-P energy: -2.919
tors. eta vs tors. theta energy: -2.422
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: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -42.488627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.488627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.488627 (E_RNA)
where:
Base-Base interactions energy: -16.435
where: short stacking energy: -16.435
Base-Backbone interact. energy: -0.010
local terms energy: -26.042972
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -6.181
flat angles P-C4'-P energy: -3.795
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: 4, replica: 7
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -41.748470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.748470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.748470 (E_RNA)
where:
Base-Base interactions energy: -16.781
where: short stacking energy: -16.781
Base-Backbone interact. energy: -0.001
local terms energy: -24.966791
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -5.777
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: -2.620
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: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -44.246436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.246436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.246436 (E_RNA)
where:
Base-Base interactions energy: -18.384
where: short stacking energy: -18.384
Base-Backbone interact. energy: -0.000
local terms energy: -25.862267
where:
bonds (distance) C4'-P energy: -4.454
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -6.076
flat angles P-C4'-P energy: -3.575
tors. eta vs tors. theta energy: -5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -40.973874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.973874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.973874 (E_RNA)
where:
Base-Base interactions energy: -20.222
where: short stacking energy: -20.222
Base-Backbone interact. energy: -0.000
local terms energy: -20.751497
where:
bonds (distance) C4'-P energy: -4.647
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -4.818
flat angles P-C4'-P energy: -2.171
tors. eta vs tors. theta energy: -3.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -41.130750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.130750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.130750 (E_RNA)
where:
Base-Base interactions energy: -16.115
where: short stacking energy: -16.115
Base-Backbone interact. energy: -0.000
local terms energy: -25.015274
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -4.836
flat angles P-C4'-P energy: -3.171
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: 3
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -33.576073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.576073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.576073 (E_RNA)
where:
Base-Base interactions energy: -13.277
where: short stacking energy: -13.277
Base-Backbone interact. energy: -0.000
local terms energy: -20.299186
where:
bonds (distance) C4'-P energy: -2.099
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -3.749
flat angles P-C4'-P energy: -3.094
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: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -33.394986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.394986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.394986 (E_RNA)
where:
Base-Base interactions energy: -14.461
where: short stacking energy: -14.461
Base-Backbone interact. energy: -0.004
local terms energy: -18.930177
where:
bonds (distance) C4'-P energy: -4.143
bonds (distance) P-C4' energy: -5.279
flat angles C4'-P-C4' energy: -2.933
flat angles P-C4'-P energy: -2.836
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: 10, replica: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -36.828276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.828276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.828276 (E_RNA)
where:
Base-Base interactions energy: -17.892
where: short stacking energy: -17.892
Base-Backbone interact. energy: -0.052
local terms energy: -18.884007
where:
bonds (distance) C4'-P energy: -4.346
bonds (distance) P-C4' energy: -4.227
flat angles C4'-P-C4' energy: -1.695
flat angles P-C4'-P energy: -5.105
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: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -51.471047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.471047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.471047 (E_RNA)
where:
Base-Base interactions energy: -24.304
where: short stacking energy: -24.304
Base-Backbone interact. energy: -0.000
local terms energy: -27.167049
where:
bonds (distance) C4'-P energy: -5.055
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.163
flat angles P-C4'-P energy: -4.438
tors. eta vs tors. theta energy: -6.635
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: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -43.355035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.355035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.355035 (E_RNA)
where:
Base-Base interactions energy: -19.496
where: short stacking energy: -19.496
Base-Backbone interact. energy: -0.009
local terms energy: -23.850592
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -4.423
flat angles C4'-P-C4' energy: -5.407
flat angles P-C4'-P energy: -2.339
tors. eta vs tors. theta energy: -5.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -47.523148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.523148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.523148 (E_RNA)
where:
Base-Base interactions energy: -19.879
where: short stacking energy: -19.879
Base-Backbone interact. energy: -0.000
local terms energy: -27.643671
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -4.141
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -45.820199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.820199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.820199 (E_RNA)
where:
Base-Base interactions energy: -16.832
where: short stacking energy: -16.832
Base-Backbone interact. energy: -0.003
local terms energy: -28.986006
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -6.499
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -43.141408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.141408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.141408 (E_RNA)
where:
Base-Base interactions energy: -16.106
where: short stacking energy: -16.106
Base-Backbone interact. energy: -0.000
local terms energy: -27.035436
where:
bonds (distance) C4'-P energy: -5.047
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.434
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -4.867
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: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -43.639287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.639287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.639287 (E_RNA)
where:
Base-Base interactions energy: -19.365
where: short stacking energy: -19.365
Base-Backbone interact. energy: -0.000
local terms energy: -24.274090
where:
bonds (distance) C4'-P energy: -3.899
bonds (distance) P-C4' energy: -5.730
flat angles C4'-P-C4' energy: -5.277
flat angles P-C4'-P energy: -3.446
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: 7, replica: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -43.271949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.271949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.271949 (E_RNA)
where:
Base-Base interactions energy: -16.911
where: short stacking energy: -16.911
Base-Backbone interact. energy: -0.000
local terms energy: -26.361093
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.676
flat angles P-C4'-P energy: -2.820
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -34.707308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.707308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.707308 (E_RNA)
where:
Base-Base interactions energy: -14.518
where: short stacking energy: -14.518
Base-Backbone interact. energy: -0.015
local terms energy: -20.174083
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.893
flat angles P-C4'-P energy: -3.229
tors. eta vs tors. theta energy: 0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -32.234882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.234882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.234882 (E_RNA)
where:
Base-Base interactions energy: -11.672
where: short stacking energy: -11.580
Base-Backbone interact. energy: -0.002
local terms energy: -20.560960
where:
bonds (distance) C4'-P energy: -3.369
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.491
flat angles P-C4'-P energy: -3.677
tors. eta vs tors. theta energy: -1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -29.712239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.712239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.712239 (E_RNA)
where:
Base-Base interactions energy: -10.166
where: short stacking energy: -10.166
Base-Backbone interact. energy: -0.012
local terms energy: -19.534454
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -4.662
flat angles C4'-P-C4' energy: -6.306
flat angles P-C4'-P energy: -3.345
tors. eta vs tors. theta energy: -0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -50.775505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.775505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.775505 (E_RNA)
where:
Base-Base interactions energy: -23.436
where: short stacking energy: -23.436
Base-Backbone interact. energy: -0.000
local terms energy: -27.339357
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -5.555
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: -6.075
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: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -49.584266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.584266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.584266 (E_RNA)
where:
Base-Base interactions energy: -21.152
where: short stacking energy: -21.152
Base-Backbone interact. energy: -0.000
local terms energy: -28.432731
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.650
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -42.947412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.947412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.947412 (E_RNA)
where:
Base-Base interactions energy: -17.716
where: short stacking energy: -17.716
Base-Backbone interact. energy: -0.000
local terms energy: -25.230818
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -2.798
flat angles C4'-P-C4' energy: -5.955
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: -6.075
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: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -37.442744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.442744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.442744 (E_RNA)
where:
Base-Base interactions energy: -12.517
where: short stacking energy: -12.517
Base-Backbone interact. energy: -0.000
local terms energy: -24.925612
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -3.666
flat angles P-C4'-P energy: -3.006
tors. eta vs tors. theta energy: -5.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -43.270415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.270415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.270415 (E_RNA)
where:
Base-Base interactions energy: -17.239
where: short stacking energy: -17.239
Base-Backbone interact. energy: -0.000
local terms energy: -26.031489
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -5.772
flat angles P-C4'-P energy: -4.532
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -37.230520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.230520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.230520 (E_RNA)
where:
Base-Base interactions energy: -13.557
where: short stacking energy: -13.557
Base-Backbone interact. energy: -0.000
local terms energy: -23.672788
where:
bonds (distance) C4'-P energy: -5.037
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -4.665
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -39.701604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.701604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.701604 (E_RNA)
where:
Base-Base interactions energy: -15.717
where: short stacking energy: -15.717
Base-Backbone interact. energy: -0.000
local terms energy: -23.984272
where:
bonds (distance) C4'-P energy: -3.936
bonds (distance) P-C4' energy: -6.202
flat angles C4'-P-C4' energy: -5.321
flat angles P-C4'-P energy: -4.957
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -42.874490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.874490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.874490 (E_RNA)
where:
Base-Base interactions energy: -17.714
where: short stacking energy: -17.714
Base-Backbone interact. energy: -0.010
local terms energy: -25.150455
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -4.821
flat angles C4'-P-C4' energy: -6.045
flat angles P-C4'-P energy: -3.924
tors. eta vs tors. theta energy: -4.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -31.159826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.159826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.159826 (E_RNA)
where:
Base-Base interactions energy: -12.181
where: short stacking energy: -12.181
Base-Backbone interact. energy: -0.070
local terms energy: -18.908581
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -3.624
flat angles P-C4'-P energy: -2.143
tors. eta vs tors. theta energy: -0.696
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: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -33.576487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.576487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.576487 (E_RNA)
where:
Base-Base interactions energy: -13.372
where: short stacking energy: -10.147
Base-Backbone interact. energy: -0.082
local terms energy: -20.122268
where:
bonds (distance) C4'-P energy: -2.135
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -2.387
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -39.924273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.924273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.924273 (E_RNA)
where:
Base-Base interactions energy: -17.915
where: short stacking energy: -17.915
Base-Backbone interact. energy: -0.003
local terms energy: -22.005989
where:
bonds (distance) C4'-P energy: -4.380
bonds (distance) P-C4' energy: -5.371
flat angles C4'-P-C4' energy: -6.244
flat angles P-C4'-P energy: -4.368
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -44.668243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.668243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.668243 (E_RNA)
where:
Base-Base interactions energy: -16.871
where: short stacking energy: -16.871
Base-Backbone interact. energy: -0.012
local terms energy: -27.786195
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -5.077
flat angles P-C4'-P energy: -4.550
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -41.849979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.849979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.849979 (E_RNA)
where:
Base-Base interactions energy: -17.499
where: short stacking energy: -17.499
Base-Backbone interact. energy: -0.008
local terms energy: -24.343067
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.992
flat angles P-C4'-P energy: -3.362
tors. eta vs tors. theta energy: -2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -45.969214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.969214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.969214 (E_RNA)
where:
Base-Base interactions energy: -18.189
where: short stacking energy: -18.189
Base-Backbone interact. energy: -0.000
local terms energy: -27.779923
where:
bonds (distance) C4'-P energy: -4.682
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -6.303
flat angles P-C4'-P energy: -2.982
tors. eta vs tors. theta energy: -6.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -43.159346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.159346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.159346 (E_RNA)
where:
Base-Base interactions energy: -18.558
where: short stacking energy: -18.558
Base-Backbone interact. energy: -0.000
local terms energy: -24.600962
where:
bonds (distance) C4'-P energy: -4.242
bonds (distance) P-C4' energy: -5.705
flat angles C4'-P-C4' energy: -4.853
flat angles P-C4'-P energy: -4.540
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -38.351564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.351564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.351564 (E_RNA)
where:
Base-Base interactions energy: -12.467
where: short stacking energy: -12.467
Base-Backbone interact. energy: -0.000
local terms energy: -25.884277
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -3.530
flat angles P-C4'-P energy: -5.064
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: 5
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -37.051889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.051889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.051889 (E_RNA)
where:
Base-Base interactions energy: -10.448
where: short stacking energy: -10.448
Base-Backbone interact. energy: -0.000
local terms energy: -26.603788
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -4.988
flat angles C4'-P-C4' energy: -6.146
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -5.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -43.755520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.755520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.755520 (E_RNA)
where:
Base-Base interactions energy: -15.370
where: short stacking energy: -15.370
Base-Backbone interact. energy: -0.000
local terms energy: -28.385887
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.643
flat angles P-C4'-P energy: -1.477
tors. eta vs tors. theta energy: -8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -31.034836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.034836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.034836 (E_RNA)
where:
Base-Base interactions energy: -8.298
where: short stacking energy: -8.298
Base-Backbone interact. energy: -0.042
local terms energy: -22.694931
where:
bonds (distance) C4'-P energy: -5.527
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.551
flat angles P-C4'-P energy: -3.086
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: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -44.559339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.559339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.559339 (E_RNA)
where:
Base-Base interactions energy: -23.139
where: short stacking energy: -16.496
Base-Backbone interact. energy: -0.000
local terms energy: -21.419750
where:
bonds (distance) C4'-P energy: -5.045
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -3.900
flat angles P-C4'-P energy: -3.394
tors. eta vs tors. theta energy: -2.634
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: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -50.465862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.465862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.465862 (E_RNA)
where:
Base-Base interactions energy: -26.474
where: short stacking energy: -19.712
Base-Backbone interact. energy: -0.000
local terms energy: -23.991842
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -6.558
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -43.967799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.967799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.967799 (E_RNA)
where:
Base-Base interactions energy: -18.693
where: short stacking energy: -18.693
Base-Backbone interact. energy: -0.000
local terms energy: -25.274711
where:
bonds (distance) C4'-P energy: -4.354
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -5.565
flat angles P-C4'-P energy: -3.791
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -43.361541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.361541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.361541 (E_RNA)
where:
Base-Base interactions energy: -17.438
where: short stacking energy: -17.438
Base-Backbone interact. energy: -0.000
local terms energy: -25.923640
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -5.826
flat angles C4'-P-C4' energy: -5.840
flat angles P-C4'-P energy: -4.573
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -42.620044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.620044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.620044 (E_RNA)
where:
Base-Base interactions energy: -17.854
where: short stacking energy: -17.854
Base-Backbone interact. energy: -0.020
local terms energy: -24.746641
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -3.876
flat angles P-C4'-P energy: -3.852
tors. eta vs tors. theta energy: -4.458
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: 97
Temperature: 1.100000
Total energy: -45.626421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.626421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.626421 (E_RNA)
where:
Base-Base interactions energy: -18.263
where: short stacking energy: -18.263
Base-Backbone interact. energy: -0.000
local terms energy: -27.362942
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -5.449
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -5.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -48.840320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.840320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.840320 (E_RNA)
where:
Base-Base interactions energy: -23.629
where: short stacking energy: -14.215
Base-Backbone interact. energy: 0.345
local terms energy: -25.556564
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -5.755
flat angles C4'-P-C4' energy: -4.367
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -36.464265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.464265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.464265 (E_RNA)
where:
Base-Base interactions energy: -18.079
where: short stacking energy: -18.079
Base-Backbone interact. energy: -0.022
local terms energy: -18.363246
where:
bonds (distance) C4'-P energy: -4.214
bonds (distance) P-C4' energy: -4.140
flat angles C4'-P-C4' energy: -4.810
flat angles P-C4'-P energy: -2.051
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -33.991827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.991827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.991827 (E_RNA)
where:
Base-Base interactions energy: -15.242
where: short stacking energy: -15.242
Base-Backbone interact. energy: -0.000
local terms energy: -18.749924
where:
bonds (distance) C4'-P energy: -1.304
bonds (distance) P-C4' energy: -4.973
flat angles C4'-P-C4' energy: -4.224
flat angles P-C4'-P energy: -3.337
tors. eta vs tors. theta energy: -4.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -31.004437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.004437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.004437 (E_RNA)
where:
Base-Base interactions energy: -8.431
where: short stacking energy: -8.431
Base-Backbone interact. energy: -0.000
local terms energy: -22.573200
where:
bonds (distance) C4'-P energy: -4.523
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.273
flat angles P-C4'-P energy: -4.263
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -34.884720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.884720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.884720 (E_RNA)
where:
Base-Base interactions energy: -13.163
where: short stacking energy: -13.163
Base-Backbone interact. energy: -0.001
local terms energy: -21.720526
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -5.535
flat angles P-C4'-P energy: -3.739
tors. eta vs tors. theta energy: -0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -47.969531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.969531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.969531 (E_RNA)
where:
Base-Base interactions energy: -20.498
where: short stacking energy: -20.498
Base-Backbone interact. energy: -0.000
local terms energy: -27.470875
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -5.960
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -50.394998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.394998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.394998 (E_RNA)
where:
Base-Base interactions energy: -22.804
where: short stacking energy: -22.804
Base-Backbone interact. energy: -0.000
local terms energy: -27.591003
where:
bonds (distance) C4'-P energy: -3.981
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.658
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -5.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -41.215689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.215689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.215689 (E_RNA)
where:
Base-Base interactions energy: -19.212
where: short stacking energy: -14.877
Base-Backbone interact. energy: -0.977
local terms energy: -21.026863
where:
bonds (distance) C4'-P energy: -3.333
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -4.593
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -51.542174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.542174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.542174 (E_RNA)
where:
Base-Base interactions energy: -24.712
where: short stacking energy: -24.712
Base-Backbone interact. energy: -0.000
local terms energy: -26.830211
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.628
flat angles C4'-P-C4' energy: -5.623
flat angles P-C4'-P energy: -3.431
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: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -41.964472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.964472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.964472 (E_RNA)
where:
Base-Base interactions energy: -18.449
where: short stacking energy: -18.449
Base-Backbone interact. energy: -0.001
local terms energy: -23.514066
where:
bonds (distance) C4'-P energy: -4.168
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -5.972
flat angles P-C4'-P energy: -4.613
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -42.794986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.794986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.794986 (E_RNA)
where:
Base-Base interactions energy: -19.153
where: short stacking energy: -12.860
Base-Backbone interact. energy: -0.077
local terms energy: -23.565106
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -4.535
flat angles P-C4'-P energy: -0.955
tors. eta vs tors. theta energy: -5.189
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: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -36.734746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.734746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.734746 (E_RNA)
where:
Base-Base interactions energy: -13.717
where: short stacking energy: -13.544
Base-Backbone interact. energy: -0.001
local terms energy: -23.016839
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -5.089
flat angles C4'-P-C4' energy: -5.331
flat angles P-C4'-P energy: -4.649
tors. eta vs tors. theta energy: -2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -33.774740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.774740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.774740 (E_RNA)
where:
Base-Base interactions energy: -12.735
where: short stacking energy: -12.735
Base-Backbone interact. energy: -0.001
local terms energy: -21.038525
where:
bonds (distance) C4'-P energy: -3.440
bonds (distance) P-C4' energy: -5.146
flat angles C4'-P-C4' energy: -4.456
flat angles P-C4'-P energy: -3.491
tors. eta vs tors. theta energy: -4.506
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: 98
Temperature: 1.300000
Total energy: -39.395781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.395781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.395781 (E_RNA)
where:
Base-Base interactions energy: -20.612
where: short stacking energy: -8.155
Base-Backbone interact. energy: -0.281
local terms energy: -18.502847
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -5.276
flat angles C4'-P-C4' energy: -5.430
flat angles P-C4'-P energy: -1.098
tors. eta vs tors. theta energy: -1.315
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: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -34.365144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.365144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.365144 (E_RNA)
where:
Base-Base interactions energy: -17.767
where: short stacking energy: -6.932
Base-Backbone interact. energy: -0.000
local terms energy: -16.597690
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -4.948
flat angles C4'-P-C4' energy: -1.859
flat angles P-C4'-P energy: -3.208
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: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -43.778247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.778247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.778247 (E_RNA)
where:
Base-Base interactions energy: -17.671
where: short stacking energy: -17.671
Base-Backbone interact. energy: 0.040
local terms energy: -26.146861
where:
bonds (distance) C4'-P energy: -6.470
bonds (distance) P-C4' energy: -6.129
flat angles C4'-P-C4' energy: -4.824
flat angles P-C4'-P energy: -4.736
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: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -44.151859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.151859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.151859 (E_RNA)
where:
Base-Base interactions energy: -21.215
where: short stacking energy: -21.215
Base-Backbone interact. energy: -0.000
local terms energy: -22.937131
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -5.509
flat angles C4'-P-C4' energy: -4.440
flat angles P-C4'-P energy: -2.953
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: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -51.852804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.852804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.852804 (E_RNA)
where:
Base-Base interactions energy: -25.435
where: short stacking energy: -22.643
Base-Backbone interact. energy: -0.000
local terms energy: -26.417515
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.653
flat angles C4'-P-C4' energy: -5.113
flat angles P-C4'-P energy: -2.174
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -47.736453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.736453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.736453 (E_RNA)
where:
Base-Base interactions energy: -21.558
where: short stacking energy: -21.558
Base-Backbone interact. energy: -0.000
local terms energy: -26.178637
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.719
flat angles P-C4'-P energy: -3.928
tors. eta vs tors. theta energy: -4.043
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: 99
Temperature: 1.100000
Total energy: -38.503431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.503431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.503431 (E_RNA)
where:
Base-Base interactions energy: -14.376
where: short stacking energy: -14.376
Base-Backbone interact. energy: -0.001
local terms energy: -24.126467
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -4.200
flat angles P-C4'-P energy: -3.960
tors. eta vs tors. theta energy: -2.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -38.589298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.589298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.589298 (E_RNA)
where:
Base-Base interactions energy: -18.081
where: short stacking energy: -7.484
Base-Backbone interact. energy: -0.000
local terms energy: -20.508531
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -4.456
flat angles P-C4'-P energy: -2.338
tors. eta vs tors. theta energy: -1.103
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: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -34.709706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.709706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.709706 (E_RNA)
where:
Base-Base interactions energy: -13.696
where: short stacking energy: -11.307
Base-Backbone interact. energy: -0.100
local terms energy: -20.912974
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -2.217
flat angles P-C4'-P energy: -4.389
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -34.578464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.578464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.578464 (E_RNA)
where:
Base-Base interactions energy: -16.484
where: short stacking energy: -16.484
Base-Backbone interact. energy: -0.000
local terms energy: -18.094064
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.644
flat angles P-C4'-P energy: 1.948
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -31.406434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.406434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.406434 (E_RNA)
where:
Base-Base interactions energy: -10.692
where: short stacking energy: -10.051
Base-Backbone interact. energy: -0.007
local terms energy: -20.707638
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -4.821
flat angles C4'-P-C4' energy: -5.828
flat angles P-C4'-P energy: -0.903
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -31.139929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.139929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.139929 (E_RNA)
where:
Base-Base interactions energy: -8.870
where: short stacking energy: -8.870
Base-Backbone interact. energy: -0.023
local terms energy: -22.246468
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.800
flat angles P-C4'-P energy: -3.518
tors. eta vs tors. theta energy: -0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -52.937019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.937019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.937019 (E_RNA)
where:
Base-Base interactions energy: -22.248
where: short stacking energy: -22.248
Base-Backbone interact. energy: -0.000
local terms energy: -30.688639
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.539
flat angles P-C4'-P energy: -5.105
tors. eta vs tors. theta energy: -7.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -47.611859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.611859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.611859 (E_RNA)
where:
Base-Base interactions energy: -24.000
where: short stacking energy: -17.798
Base-Backbone interact. energy: 0.406
local terms energy: -24.017213
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.002
flat angles P-C4'-P energy: -4.454
tors. eta vs tors. theta energy: -1.416
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: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -48.688402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.688402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.688402 (E_RNA)
where:
Base-Base interactions energy: -24.293
where: short stacking energy: -18.250
Base-Backbone interact. energy: -0.015
local terms energy: -24.380232
where:
bonds (distance) C4'-P energy: -4.931
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.808
flat angles P-C4'-P energy: -4.015
tors. eta vs tors. theta energy: -3.747
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: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -40.540704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.540704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.540704 (E_RNA)
where:
Base-Base interactions energy: -15.508
where: short stacking energy: -15.508
Base-Backbone interact. energy: -0.000
local terms energy: -25.032453
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.818
flat angles P-C4'-P energy: -0.179
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -45.928615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.928615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.928615 (E_RNA)
where:
Base-Base interactions energy: -17.086
where: short stacking energy: -17.086
Base-Backbone interact. energy: -0.000
local terms energy: -28.842630
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.813
flat angles P-C4'-P energy: -4.851
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -41.036669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.036669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.036669 (E_RNA)
where:
Base-Base interactions energy: -19.838
where: short stacking energy: -19.838
Base-Backbone interact. energy: -0.000
local terms energy: -21.198655
where:
bonds (distance) C4'-P energy: -0.740
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.191
flat angles P-C4'-P energy: -3.079
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: 7, replica: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -41.233630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.233630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.233630 (E_RNA)
where:
Base-Base interactions energy: -13.871
where: short stacking energy: -13.871
Base-Backbone interact. energy: -0.000
local terms energy: -27.362630
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.896
flat angles P-C4'-P energy: -4.617
tors. eta vs tors. theta energy: -3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -35.756524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.756524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.756524 (E_RNA)
where:
Base-Base interactions energy: -17.036
where: short stacking energy: -12.782
Base-Backbone interact. energy: -0.242
local terms energy: -18.478436
where:
bonds (distance) C4'-P energy: -4.665
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -3.902
flat angles P-C4'-P energy: -3.268
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: 9, replica: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -32.236845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.236845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.236845 (E_RNA)
where:
Base-Base interactions energy: -12.240
where: short stacking energy: -12.240
Base-Backbone interact. energy: -0.000
local terms energy: -19.996376
where:
bonds (distance) C4'-P energy: -5.233
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.151
flat angles P-C4'-P energy: -3.249
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: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -33.959490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.959490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.959490 (E_RNA)
where:
Base-Base interactions energy: -16.069
where: short stacking energy: -16.069
Base-Backbone interact. energy: -0.002
local terms energy: -17.887738
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -2.387
flat angles P-C4'-P energy: -1.045
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -50.240133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.240133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.240133 (E_RNA)
where:
Base-Base interactions energy: -27.312
where: short stacking energy: -17.830
Base-Backbone interact. energy: -0.091
local terms energy: -22.837439
where:
bonds (distance) C4'-P energy: -4.383
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -4.675
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: -1.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -39.710428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.710428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.710428 (E_RNA)
where:
Base-Base interactions energy: -16.038
where: short stacking energy: -16.038
Base-Backbone interact. energy: -0.333
local terms energy: -23.339402
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -6.129
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: -2.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -50.936391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.936391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.936391 (E_RNA)
where:
Base-Base interactions energy: -22.220
where: short stacking energy: -22.220
Base-Backbone interact. energy: -0.000
local terms energy: -28.716332
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.721
flat angles P-C4'-P energy: -3.264
tors. eta vs tors. theta energy: -7.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -51.178589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.178589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.178589 (E_RNA)
where:
Base-Base interactions energy: -21.824
where: short stacking energy: -21.824
Base-Backbone interact. energy: -0.002
local terms energy: -29.352229
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -6.270
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: -6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -43.214425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.214425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.214425 (E_RNA)
where:
Base-Base interactions energy: -18.792
where: short stacking energy: -18.792
Base-Backbone interact. energy: -0.001
local terms energy: -24.421696
where:
bonds (distance) C4'-P energy: -5.551
bonds (distance) P-C4' energy: -4.758
flat angles C4'-P-C4' energy: -5.153
flat angles P-C4'-P energy: -4.496
tors. eta vs tors. theta energy: -4.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -39.080271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.080271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.080271 (E_RNA)
where:
Base-Base interactions energy: -13.005
where: short stacking energy: -13.005
Base-Backbone interact. energy: -0.000
local terms energy: -26.075739
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.496
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: -2.439
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: 7, replica: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -34.927636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.927636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.927636 (E_RNA)
where:
Base-Base interactions energy: -15.005
where: short stacking energy: -12.577
Base-Backbone interact. energy: -0.098
local terms energy: -19.824292
where:
bonds (distance) C4'-P energy: -4.337
bonds (distance) P-C4' energy: -4.910
flat angles C4'-P-C4' energy: -5.692
flat angles P-C4'-P energy: -3.641
tors. eta vs tors. theta energy: -1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -40.959910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.959910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.959910 (E_RNA)
where:
Base-Base interactions energy: -14.936
where: short stacking energy: -14.936
Base-Backbone interact. energy: -0.000
local terms energy: -26.023845
where:
bonds (distance) C4'-P energy: -4.719
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -4.318
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -4.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -34.642705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.642705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.642705 (E_RNA)
where:
Base-Base interactions energy: -16.194
where: short stacking energy: -16.194
Base-Backbone interact. energy: -0.000
local terms energy: -18.449121
where:
bonds (distance) C4'-P energy: 1.339
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -6.040
flat angles P-C4'-P energy: -3.531
tors. eta vs tors. theta energy: -4.000
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: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -32.913125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.913125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.913125 (E_RNA)
where:
Base-Base interactions energy: -11.268
where: short stacking energy: -11.268
Base-Backbone interact. energy: -0.001
local terms energy: -21.644827
where:
bonds (distance) C4'-P energy: -4.074
bonds (distance) P-C4' energy: -5.209
flat angles C4'-P-C4' energy: -4.334
flat angles P-C4'-P energy: -4.376
tors. eta vs tors. theta energy: -3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -49.588283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.588283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.588283 (E_RNA)
where:
Base-Base interactions energy: -27.486
where: short stacking energy: -17.648
Base-Backbone interact. energy: -0.007
local terms energy: -22.094988
where:
bonds (distance) C4'-P energy: -5.225
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -5.394
flat angles P-C4'-P energy: -2.781
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -44.998641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.998641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.998641 (E_RNA)
where:
Base-Base interactions energy: -20.196
where: short stacking energy: -20.196
Base-Backbone interact. energy: -0.000
local terms energy: -24.802522
where:
bonds (distance) C4'-P energy: -5.729
bonds (distance) P-C4' energy: -3.490
flat angles C4'-P-C4' energy: -5.737
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: -5.496
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: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -52.509865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.509865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.509865 (E_RNA)
where:
Base-Base interactions energy: -23.158
where: short stacking energy: -23.158
Base-Backbone interact. energy: -0.000
local terms energy: -29.351518
where:
bonds (distance) C4'-P energy: -4.647
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.813
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -7.587
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: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -50.829358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.829358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.829358 (E_RNA)
where:
Base-Base interactions energy: -27.197
where: short stacking energy: -13.021
Base-Backbone interact. energy: -0.002
local terms energy: -23.630652
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.588
flat angles P-C4'-P energy: -2.230
tors. eta vs tors. theta energy: -2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -40.690898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.690898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.690898 (E_RNA)
where:
Base-Base interactions energy: -17.944
where: short stacking energy: -17.944
Base-Backbone interact. energy: -0.017
local terms energy: -22.729326
where:
bonds (distance) C4'-P energy: -2.384
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -5.103
flat angles P-C4'-P energy: -4.443
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: 6, replica: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -36.682149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.682149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.682149 (E_RNA)
where:
Base-Base interactions energy: -15.246
where: short stacking energy: -9.728
Base-Backbone interact. energy: -0.195
local terms energy: -21.242039
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -4.372
flat angles P-C4'-P energy: -4.424
tors. eta vs tors. theta energy: -0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -34.411211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.411211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.411211 (E_RNA)
where:
Base-Base interactions energy: -13.027
where: short stacking energy: -10.861
Base-Backbone interact. energy: -0.014
local terms energy: -21.369496
where:
bonds (distance) C4'-P energy: -2.828
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -5.326
flat angles P-C4'-P energy: -3.744
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: 8, replica: 3
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -37.595295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.595295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.595295 (E_RNA)
where:
Base-Base interactions energy: -15.569
where: short stacking energy: -12.979
Base-Backbone interact. energy: -0.000
local terms energy: -22.025940
where:
bonds (distance) C4'-P energy: -4.462
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -2.956
flat angles P-C4'-P energy: -4.066
tors. eta vs tors. theta energy: -4.772
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: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -36.570414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.570414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.570414 (E_RNA)
where:
Base-Base interactions energy: -14.166
where: short stacking energy: -14.166
Base-Backbone interact. energy: -0.000
local terms energy: -22.404358
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.733
flat angles P-C4'-P energy: -3.004
tors. eta vs tors. theta energy: -2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -33.120099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.120099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.120099 (E_RNA)
where:
Base-Base interactions energy: -16.949
where: short stacking energy: -13.128
Base-Backbone interact. energy: -0.037
local terms energy: -16.134115
where:
bonds (distance) C4'-P energy: -3.580
bonds (distance) P-C4' energy: -4.849
flat angles C4'-P-C4' energy: -5.088
flat angles P-C4'-P energy: -2.242
tors. eta vs tors. theta energy: -0.375
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: 5
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -51.662050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.662050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.662050 (E_RNA)
where:
Base-Base interactions energy: -24.566
where: short stacking energy: -9.211
Base-Backbone interact. energy: -0.002
local terms energy: -27.093610
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -6.029
flat angles P-C4'-P energy: -3.724
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -44.369822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.369822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.369822 (E_RNA)
where:
Base-Base interactions energy: -17.651
where: short stacking energy: -17.651
Base-Backbone interact. energy: -0.000
local terms energy: -26.719193
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.305
flat angles P-C4'-P energy: -4.838
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: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -45.448535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.448535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.448535 (E_RNA)
where:
Base-Base interactions energy: -21.261
where: short stacking energy: -11.230
Base-Backbone interact. energy: -0.012
local terms energy: -24.174985
where:
bonds (distance) C4'-P energy: -4.380
bonds (distance) P-C4' energy: -6.209
flat angles C4'-P-C4' energy: -5.953
flat angles P-C4'-P energy: -4.327
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -40.621263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.621263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.621263 (E_RNA)
where:
Base-Base interactions energy: -16.865
where: short stacking energy: -16.865
Base-Backbone interact. energy: -0.021
local terms energy: -23.735073
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -3.253
flat angles P-C4'-P energy: -4.362
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: 5, replica: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -42.699807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.699807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.699807 (E_RNA)
where:
Base-Base interactions energy: -19.441
where: short stacking energy: -14.399
Base-Backbone interact. energy: -0.006
local terms energy: -23.253559
where:
bonds (distance) C4'-P energy: -3.965
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.791
flat angles P-C4'-P energy: -4.312
tors. eta vs tors. theta energy: -2.278
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: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -38.336485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.336485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.336485 (E_RNA)
where:
Base-Base interactions energy: -12.851
where: short stacking energy: -12.851
Base-Backbone interact. energy: -0.019
local terms energy: -25.466860
where:
bonds (distance) C4'-P energy: -5.278
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -5.530
flat angles P-C4'-P energy: -4.802
tors. eta vs tors. theta energy: -2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -39.667230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.667230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.667230 (E_RNA)
where:
Base-Base interactions energy: -18.304
where: short stacking energy: -18.304
Base-Backbone interact. energy: -0.000
local terms energy: -21.362737
where:
bonds (distance) C4'-P energy: -3.505
bonds (distance) P-C4' energy: -5.079
flat angles C4'-P-C4' energy: -5.151
flat angles P-C4'-P energy: -3.099
tors. eta vs tors. theta energy: -4.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -33.487155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.487155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.487155 (E_RNA)
where:
Base-Base interactions energy: -12.150
where: short stacking energy: -12.150
Base-Backbone interact. energy: -0.000
local terms energy: -21.337191
where:
bonds (distance) C4'-P energy: -4.400
bonds (distance) P-C4' energy: -5.730
flat angles C4'-P-C4' energy: -5.301
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -1.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -35.211134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.211134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.211134 (E_RNA)
where:
Base-Base interactions energy: -13.323
where: short stacking energy: -13.323
Base-Backbone interact. energy: -0.041
local terms energy: -21.846566
where:
bonds (distance) C4'-P energy: -5.287
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -4.501
flat angles P-C4'-P energy: -4.094
tors. eta vs tors. theta energy: -1.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -30.968989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.968989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.968989 (E_RNA)
where:
Base-Base interactions energy: -10.313
where: short stacking energy: -10.313
Base-Backbone interact. energy: -0.001
local terms energy: -20.655051
where:
bonds (distance) C4'-P energy: -3.415
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.549
flat angles P-C4'-P energy: -3.692
tors. eta vs tors. theta energy: -1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -47.761074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.761074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.761074 (E_RNA)
where:
Base-Base interactions energy: -22.385
where: short stacking energy: -22.385
Base-Backbone interact. energy: -0.022
local terms energy: -25.354560
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.461
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -45.459368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.459368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.459368 (E_RNA)
where:
Base-Base interactions energy: -19.959
where: short stacking energy: -19.959
Base-Backbone interact. energy: -0.001
local terms energy: -25.499252
where:
bonds (distance) C4'-P energy: -2.794
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -5.883
flat angles P-C4'-P energy: -4.446
tors. eta vs tors. theta energy: -5.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -45.442142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.442142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.442142 (E_RNA)
where:
Base-Base interactions energy: -18.854
where: short stacking energy: -18.854
Base-Backbone interact. energy: -0.000
local terms energy: -26.588537
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -3.263
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -44.017119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.017119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.017119 (E_RNA)
where:
Base-Base interactions energy: -21.016
where: short stacking energy: -9.406
Base-Backbone interact. energy: -0.000
local terms energy: -23.000669
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -6.500
flat angles P-C4'-P energy: -3.778
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: 5, replica: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -40.425342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.425342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.425342 (E_RNA)
where:
Base-Base interactions energy: -16.335
where: short stacking energy: -16.335
Base-Backbone interact. energy: -0.000
local terms energy: -24.089717
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.480
flat angles P-C4'-P energy: -1.682
tors. eta vs tors. theta energy: -4.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -46.710450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.710450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.710450 (E_RNA)
where:
Base-Base interactions energy: -20.499
where: short stacking energy: -20.499
Base-Backbone interact. energy: -0.000
local terms energy: -26.211084
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -5.826
flat angles C4'-P-C4' energy: -5.787
flat angles P-C4'-P energy: -4.478
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: 7, replica: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -38.942913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.942913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.942913 (E_RNA)
where:
Base-Base interactions energy: -15.942
where: short stacking energy: -15.942
Base-Backbone interact. energy: -0.095
local terms energy: -22.905577
where:
bonds (distance) C4'-P energy: -5.589
bonds (distance) P-C4' energy: -5.576
flat angles C4'-P-C4' energy: -5.535
flat angles P-C4'-P energy: -3.068
tors. eta vs tors. theta energy: -3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -36.297700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.297700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.297700 (E_RNA)
where:
Base-Base interactions energy: -16.563
where: short stacking energy: -16.563
Base-Backbone interact. energy: -0.001
local terms energy: -19.733607
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -3.696
flat angles P-C4'-P energy: -3.043
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: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -34.141008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.141008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.141008 (E_RNA)
where:
Base-Base interactions energy: -14.404
where: short stacking energy: -14.404
Base-Backbone interact. energy: -0.001
local terms energy: -19.736138
where:
bonds (distance) C4'-P energy: -2.144
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -3.882
flat angles P-C4'-P energy: -3.955
tors. eta vs tors. theta energy: -2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -34.227706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.227706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.227706 (E_RNA)
where:
Base-Base interactions energy: -11.696
where: short stacking energy: -11.696
Base-Backbone interact. energy: -0.000
local terms energy: -22.532197
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -3.223
flat angles P-C4'-P energy: -3.163
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: 1, replica: 2
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -54.170629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.170629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.170629 (E_RNA)
where:
Base-Base interactions energy: -26.097
where: short stacking energy: -26.097
Base-Backbone interact. energy: -0.000
local terms energy: -28.073823
where:
bonds (distance) C4'-P energy: -5.252
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -5.292
flat angles P-C4'-P energy: -4.715
tors. eta vs tors. theta energy: -6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -43.269475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.269475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.269475 (E_RNA)
where:
Base-Base interactions energy: -22.055
where: short stacking energy: -17.499
Base-Backbone interact. energy: -0.021
local terms energy: -21.193474
where:
bonds (distance) C4'-P energy: -4.143
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.383
flat angles P-C4'-P energy: -2.877
tors. eta vs tors. theta energy: -0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -39.972605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.972605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.972605 (E_RNA)
where:
Base-Base interactions energy: -17.209
where: short stacking energy: -7.232
Base-Backbone interact. energy: -0.004
local terms energy: -22.759195
where:
bonds (distance) C4'-P energy: -3.627
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -6.151
flat angles P-C4'-P energy: -3.116
tors. eta vs tors. theta energy: -2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -44.645207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.645207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.645207 (E_RNA)
where:
Base-Base interactions energy: -19.811
where: short stacking energy: -19.811
Base-Backbone interact. energy: -0.029
local terms energy: -24.805308
where:
bonds (distance) C4'-P energy: -3.725
bonds (distance) P-C4' energy: -5.445
flat angles C4'-P-C4' energy: -6.520
flat angles P-C4'-P energy: -4.124
tors. eta vs tors. theta energy: -4.991
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: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -34.956188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.956188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.956188 (E_RNA)
where:
Base-Base interactions energy: -11.705
where: short stacking energy: -11.705
Base-Backbone interact. energy: -0.003
local terms energy: -23.247890
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.887
flat angles P-C4'-P energy: -2.651
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -39.218225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.218225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.218225 (E_RNA)
where:
Base-Base interactions energy: -13.084
where: short stacking energy: -11.051
Base-Backbone interact. energy: -0.000
local terms energy: -26.134070
where:
bonds (distance) C4'-P energy: -5.306
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -3.859
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -4.857
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: 7, replica: 8
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -42.125879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.125879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.125879 (E_RNA)
where:
Base-Base interactions energy: -17.376
where: short stacking energy: -17.376
Base-Backbone interact. energy: -0.000
local terms energy: -24.749818
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -3.236
flat angles P-C4'-P energy: -5.236
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: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -33.410400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.410400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.410400 (E_RNA)
where:
Base-Base interactions energy: -11.024
where: short stacking energy: -11.024
Base-Backbone interact. energy: -0.000
local terms energy: -22.385931
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -5.918
flat angles P-C4'-P energy: -2.048
tors. eta vs tors. theta energy: -2.120
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: 9, replica: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -28.725161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.725161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.725161 (E_RNA)
where:
Base-Base interactions energy: -6.801
where: short stacking energy: -4.495
Base-Backbone interact. energy: -0.124
local terms energy: -21.800572
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.998
flat angles P-C4'-P energy: -3.012
tors. eta vs tors. theta energy: -0.785
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: 10, replica: 3
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -30.939496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.939496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.939496 (E_RNA)
where:
Base-Base interactions energy: -9.682
where: short stacking energy: -9.682
Base-Backbone interact. energy: -0.002
local terms energy: -21.255594
where:
bonds (distance) C4'-P energy: -5.037
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.429
flat angles P-C4'-P energy: -4.957
tors. eta vs tors. theta energy: 0.620
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: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -44.909780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.909780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.909780 (E_RNA)
where:
Base-Base interactions energy: -20.924
where: short stacking energy: -20.924
Base-Backbone interact. energy: -0.018
local terms energy: -23.967755
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -6.290
flat angles P-C4'-P energy: -2.473
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -40.811215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.811215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.811215 (E_RNA)
where:
Base-Base interactions energy: -18.818
where: short stacking energy: -18.818
Base-Backbone interact. energy: -0.012
local terms energy: -21.980760
where:
bonds (distance) C4'-P energy: -3.654
bonds (distance) P-C4' energy: -4.761
flat angles C4'-P-C4' energy: -4.735
flat angles P-C4'-P energy: -4.976
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: 3, replica: 1
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -47.208761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.208761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.208761 (E_RNA)
where:
Base-Base interactions energy: -22.217
where: short stacking energy: -22.217
Base-Backbone interact. energy: -0.000
local terms energy: -24.992074
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -5.541
flat angles C4'-P-C4' energy: -5.324
flat angles P-C4'-P energy: -4.207
tors. eta vs tors. theta energy: -4.830
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: 106
Temperature: 1.050000
Total energy: -48.153706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.153706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.153706 (E_RNA)
where:
Base-Base interactions energy: -18.899
where: short stacking energy: -18.899
Base-Backbone interact. energy: -0.000
local terms energy: -29.254772
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -5.677
flat angles C4'-P-C4' energy: -6.534
flat angles P-C4'-P energy: -4.872
tors. eta vs tors. theta energy: -5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -42.739946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.739946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.739946 (E_RNA)
where:
Base-Base interactions energy: -16.266
where: short stacking energy: -16.266
Base-Backbone interact. energy: -0.000
local terms energy: -26.474002
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.591
flat angles P-C4'-P energy: -3.829
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -34.819095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.819095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.819095 (E_RNA)
where:
Base-Base interactions energy: -11.384
where: short stacking energy: -11.384
Base-Backbone interact. energy: -0.002
local terms energy: -23.433272
where:
bonds (distance) C4'-P energy: -5.252
bonds (distance) P-C4' energy: -5.931
flat angles C4'-P-C4' energy: -5.959
flat angles P-C4'-P energy: -3.690
tors. eta vs tors. theta energy: -2.601
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: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -39.100159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.100159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.100159 (E_RNA)
where:
Base-Base interactions energy: -17.378
where: short stacking energy: -17.378
Base-Backbone interact. energy: -0.003
local terms energy: -21.719405
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -4.933
flat angles P-C4'-P energy: -1.458
tors. eta vs tors. theta energy: -2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -32.830518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.830518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.830518 (E_RNA)
where:
Base-Base interactions energy: -11.512
where: short stacking energy: -11.512
Base-Backbone interact. energy: -0.075
local terms energy: -21.243838
where:
bonds (distance) C4'-P energy: -4.330
bonds (distance) P-C4' energy: -4.137
flat angles C4'-P-C4' energy: -6.186
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -1.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -46.666502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.666502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.666502 (E_RNA)
where:
Base-Base interactions energy: -21.382
where: short stacking energy: -21.382
Base-Backbone interact. energy: -0.000
local terms energy: -25.283970
where:
bonds (distance) C4'-P energy: -5.233
bonds (distance) P-C4' energy: -5.585
flat angles C4'-P-C4' energy: -5.868
flat angles P-C4'-P energy: -3.541
tors. eta vs tors. theta energy: -5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -36.284950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.284950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.284950 (E_RNA)
where:
Base-Base interactions energy: -14.914
where: short stacking energy: -14.914
Base-Backbone interact. energy: -0.000
local terms energy: -21.371147
where:
bonds (distance) C4'-P energy: -3.680
bonds (distance) P-C4' energy: -5.298
flat angles C4'-P-C4' energy: -4.925
flat angles P-C4'-P energy: -3.472
tors. eta vs tors. theta energy: -3.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -44.486559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.486559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.486559 (E_RNA)
where:
Base-Base interactions energy: -21.032
where: short stacking energy: -21.032
Base-Backbone interact. energy: -0.001
local terms energy: -23.453866
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.918
flat angles P-C4'-P energy: -2.227
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: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -39.567679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.567679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.567679 (E_RNA)
where:
Base-Base interactions energy: -15.657
where: short stacking energy: -15.657
Base-Backbone interact. energy: -0.089
local terms energy: -23.822239
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -5.668
flat angles C4'-P-C4' energy: -6.190
flat angles P-C4'-P energy: -1.955
tors. eta vs tors. theta energy: -4.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -42.295973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.295973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.295973 (E_RNA)
where:
Base-Base interactions energy: -18.370
where: short stacking energy: -18.370
Base-Backbone interact. energy: -0.069
local terms energy: -23.856743
where:
bonds (distance) C4'-P energy: -2.847
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -6.087
flat angles P-C4'-P energy: -4.830
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: 4, replica: 6
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -40.630283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.630283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.630283 (E_RNA)
where:
Base-Base interactions energy: -16.146
where: short stacking energy: -16.146
Base-Backbone interact. energy: -0.000
local terms energy: -24.483856
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -6.235
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -40.643402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.643402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.643402 (E_RNA)
where:
Base-Base interactions energy: -20.709
where: short stacking energy: -12.910
Base-Backbone interact. energy: -0.331
local terms energy: -19.602472
where:
bonds (distance) C4'-P energy: -5.716
bonds (distance) P-C4' energy: -6.128
flat angles C4'-P-C4' energy: -3.071
flat angles P-C4'-P energy: -2.302
tors. eta vs tors. theta energy: -2.386
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: 6, replica: 9
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -47.569920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.569920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.569920 (E_RNA)
where:
Base-Base interactions energy: -20.571
where: short stacking energy: -20.571
Base-Backbone interact. energy: -0.000
local terms energy: -26.999145
where:
bonds (distance) C4'-P energy: -5.435
bonds (distance) P-C4' energy: -5.826
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -2.739
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: 7, replica: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -37.446570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.446570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.446570 (E_RNA)
where:
Base-Base interactions energy: -14.033
where: short stacking energy: -11.840
Base-Backbone interact. energy: -0.000
local terms energy: -23.413885
where:
bonds (distance) C4'-P energy: -5.047
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -6.099
flat angles P-C4'-P energy: -2.423
tors. eta vs tors. theta energy: -3.628
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: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -32.951056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.951056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.951056 (E_RNA)
where:
Base-Base interactions energy: -11.342
where: short stacking energy: -11.342
Base-Backbone interact. energy: -0.013
local terms energy: -21.595922
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.810
flat angles P-C4'-P energy: -0.250
tors. eta vs tors. theta energy: -3.356
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: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -35.222357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.222357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.222357 (E_RNA)
where:
Base-Base interactions energy: -11.335
where: short stacking energy: -7.930
Base-Backbone interact. energy: -0.057
local terms energy: -23.830643
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.474
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -32.963825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.963825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.963825 (E_RNA)
where:
Base-Base interactions energy: -12.314
where: short stacking energy: -12.314
Base-Backbone interact. energy: -0.044
local terms energy: -20.605173
where:
bonds (distance) C4'-P energy: -3.427
bonds (distance) P-C4' energy: -5.767
flat angles C4'-P-C4' energy: -5.715
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -46.768050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.768050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.768050 (E_RNA)
where:
Base-Base interactions energy: -19.534
where: short stacking energy: -19.534
Base-Backbone interact. energy: -0.000
local terms energy: -27.234137
where:
bonds (distance) C4'-P energy: -4.603
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.517
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: -7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -46.259134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.259134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.259134 (E_RNA)
where:
Base-Base interactions energy: -20.660
where: short stacking energy: -20.660
Base-Backbone interact. energy: -0.000
local terms energy: -25.598620
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.695
flat angles P-C4'-P energy: -2.918
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: 3, replica: 6
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -44.404588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.404588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.404588 (E_RNA)
where:
Base-Base interactions energy: -21.013
where: short stacking energy: -21.013
Base-Backbone interact. energy: -0.000
local terms energy: -23.391499
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -6.573
flat angles P-C4'-P energy: -1.670
tors. eta vs tors. theta energy: -3.191
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: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -43.013129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.013129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.013129 (E_RNA)
where:
Base-Base interactions energy: -16.612
where: short stacking energy: -16.612
Base-Backbone interact. energy: -0.001
local terms energy: -26.399709
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.547
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -41.795409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.795409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.795409 (E_RNA)
where:
Base-Base interactions energy: -16.829
where: short stacking energy: -16.829
Base-Backbone interact. energy: -0.559
local terms energy: -24.406690
where:
bonds (distance) C4'-P energy: -5.953
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -5.935
flat angles P-C4'-P energy: -2.842
tors. eta vs tors. theta energy: -4.144
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: 9
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -32.494593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.494593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.494593 (E_RNA)
where:
Base-Base interactions energy: -12.629
where: short stacking energy: -12.629
Base-Backbone interact. energy: -0.000
local terms energy: -19.865908
where:
bonds (distance) C4'-P energy: -1.481
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -4.172
flat angles P-C4'-P energy: -4.454
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -32.728417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.728417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.728417 (E_RNA)
where:
Base-Base interactions energy: -15.110
where: short stacking energy: -11.337
Base-Backbone interact. energy: -0.001
local terms energy: -17.617510
where:
bonds (distance) C4'-P energy: -2.968
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.510
flat angles P-C4'-P energy: -3.962
tors. eta vs tors. theta energy: -0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -34.455820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.455820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.455820 (E_RNA)
where:
Base-Base interactions energy: -15.724
where: short stacking energy: -15.724
Base-Backbone interact. energy: -0.000
local terms energy: -18.731237
where:
bonds (distance) C4'-P energy: -4.871
bonds (distance) P-C4' energy: -4.466
flat angles C4'-P-C4' energy: -3.847
flat angles P-C4'-P energy: -3.235
tors. eta vs tors. theta energy: -2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -33.035596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.035596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.035596 (E_RNA)
where:
Base-Base interactions energy: -12.838
where: short stacking energy: -12.938
Base-Backbone interact. energy: -1.747
local terms energy: -18.450208
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -3.626
flat angles C4'-P-C4' energy: -4.788
flat angles P-C4'-P energy: -3.961
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: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -32.630791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.630791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.630791 (E_RNA)
where:
Base-Base interactions energy: -13.234
where: short stacking energy: -10.387
Base-Backbone interact. energy: 1.079
local terms energy: -20.475540
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -4.677
flat angles C4'-P-C4' energy: -5.727
flat angles P-C4'-P energy: -1.891
tors. eta vs tors. theta energy: -2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -43.649313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.649313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.649313 (E_RNA)
where:
Base-Base interactions energy: -17.358
where: short stacking energy: -17.358
Base-Backbone interact. energy: -0.047
local terms energy: -26.244137
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -6.311
flat angles P-C4'-P energy: -4.941
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -48.344389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.344389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.344389 (E_RNA)
where:
Base-Base interactions energy: -25.906
where: short stacking energy: -13.618
Base-Backbone interact. energy: -0.027
local terms energy: -22.411595
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -4.143
flat angles P-C4'-P energy: -2.971
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -42.792981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.792981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.792981 (E_RNA)
where:
Base-Base interactions energy: -19.283
where: short stacking energy: -19.283
Base-Backbone interact. energy: -0.000
local terms energy: -23.509971
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -4.203
flat angles C4'-P-C4' energy: -4.380
flat angles P-C4'-P energy: -3.813
tors. eta vs tors. theta energy: -5.729
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: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -42.513457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.513457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.513457 (E_RNA)
where:
Base-Base interactions energy: -15.446
where: short stacking energy: -15.446
Base-Backbone interact. energy: -0.001
local terms energy: -27.067160
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.624
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -39.043878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.043878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.043878 (E_RNA)
where:
Base-Base interactions energy: -18.065
where: short stacking energy: -16.016
Base-Backbone interact. energy: -0.017
local terms energy: -20.961716
where:
bonds (distance) C4'-P energy: -3.671
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.026
flat angles P-C4'-P energy: -3.460
tors. eta vs tors. theta energy: -2.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -37.776898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.776898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.776898 (E_RNA)
where:
Base-Base interactions energy: -16.799
where: short stacking energy: -16.799
Base-Backbone interact. energy: -0.000
local terms energy: -20.977174
where:
bonds (distance) C4'-P energy: -3.369
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -3.823
flat angles P-C4'-P energy: -4.157
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -39.245709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.245709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.245709 (E_RNA)
where:
Base-Base interactions energy: -21.087
where: short stacking energy: -15.755
Base-Backbone interact. energy: -0.003
local terms energy: -18.156338
where:
bonds (distance) C4'-P energy: -3.477
bonds (distance) P-C4' energy: -5.177
flat angles C4'-P-C4' energy: -3.472
flat angles P-C4'-P energy: -3.885
tors. eta vs tors. theta energy: -2.145
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: 109
Temperature: 1.250000
Total energy: -40.701695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.701695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.701695 (E_RNA)
where:
Base-Base interactions energy: -17.220
where: short stacking energy: -17.220
Base-Backbone interact. energy: -0.000
local terms energy: -23.481949
where:
bonds (distance) C4'-P energy: -5.340
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.196
flat angles P-C4'-P energy: -3.382
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -29.886770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.886770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.886770 (E_RNA)
where:
Base-Base interactions energy: -12.562
where: short stacking energy: -12.562
Base-Backbone interact. energy: -0.000
local terms energy: -17.324212
where:
bonds (distance) C4'-P energy: -3.928
bonds (distance) P-C4' energy: -5.638
flat angles C4'-P-C4' energy: -5.132
flat angles P-C4'-P energy: -0.410
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -32.185660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.185660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.185660 (E_RNA)
where:
Base-Base interactions energy: -11.390
where: short stacking energy: -11.390
Base-Backbone interact. energy: -0.001
local terms energy: -20.794866
where:
bonds (distance) C4'-P energy: -4.380
bonds (distance) P-C4' energy: -5.298
flat angles C4'-P-C4' energy: -6.445
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -0.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -56.395381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.395381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.395381 (E_RNA)
where:
Base-Base interactions energy: -28.651
where: short stacking energy: -21.770
Base-Backbone interact. energy: -0.054
local terms energy: -27.689852
where:
bonds (distance) C4'-P energy: -3.813
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.416
flat angles P-C4'-P energy: -4.927
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: 2, replica: 6
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -49.103184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.103184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.103184 (E_RNA)
where:
Base-Base interactions energy: -21.635
where: short stacking energy: -21.635
Base-Backbone interact. energy: -0.000
local terms energy: -27.467928
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -4.162
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -7.225
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: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -42.388256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.388256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.388256 (E_RNA)
where:
Base-Base interactions energy: -17.285
where: short stacking energy: -17.285
Base-Backbone interact. energy: -0.000
local terms energy: -25.103223
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.822
flat angles P-C4'-P energy: -3.355
tors. eta vs tors. theta energy: -3.335
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: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -42.586083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.586083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.586083 (E_RNA)
where:
Base-Base interactions energy: -18.463
where: short stacking energy: -18.463
Base-Backbone interact. energy: -0.002
local terms energy: -24.120430
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -1.733
flat angles C4'-P-C4' energy: -5.917
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -6.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -48.757960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.757960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.757960 (E_RNA)
where:
Base-Base interactions energy: -21.183
where: short stacking energy: -21.183
Base-Backbone interact. energy: -0.000
local terms energy: -27.575367
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.014
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -40.898786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.898786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.898786 (E_RNA)
where:
Base-Base interactions energy: -22.168
where: short stacking energy: -11.073
Base-Backbone interact. energy: -0.748
local terms energy: -17.982909
where:
bonds (distance) C4'-P energy: -4.451
bonds (distance) P-C4' energy: -4.374
flat angles C4'-P-C4' energy: -5.420
flat angles P-C4'-P energy: -1.646
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: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -36.803513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.803513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.803513 (E_RNA)
where:
Base-Base interactions energy: -14.538
where: short stacking energy: -13.294
Base-Backbone interact. energy: -0.019
local terms energy: -22.245948
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -4.101
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -33.640822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.640822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.640822 (E_RNA)
where:
Base-Base interactions energy: -10.524
where: short stacking energy: -10.524
Base-Backbone interact. energy: -0.000
local terms energy: -23.116276
where:
bonds (distance) C4'-P energy: -3.796
bonds (distance) P-C4' energy: -4.346
flat angles C4'-P-C4' energy: -6.151
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -4.537
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: 9, replica: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -39.241744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.241744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.241744 (E_RNA)
where:
Base-Base interactions energy: -17.077
where: short stacking energy: -13.291
Base-Backbone interact. energy: -0.111
local terms energy: -22.053380
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.355
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -38.575518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.575518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.575518 (E_RNA)
where:
Base-Base interactions energy: -15.243
where: short stacking energy: -15.243
Base-Backbone interact. energy: -0.000
local terms energy: -23.332893
where:
bonds (distance) C4'-P energy: -3.299
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.264
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -49.033035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.033035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.033035 (E_RNA)
where:
Base-Base interactions energy: -22.208
where: short stacking energy: -22.208
Base-Backbone interact. energy: -0.000
local terms energy: -26.825126
where:
bonds (distance) C4'-P energy: -4.176
bonds (distance) P-C4' energy: -5.071
flat angles C4'-P-C4' energy: -6.386
flat angles P-C4'-P energy: -4.223
tors. eta vs tors. theta energy: -6.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -45.728917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.728917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.728917 (E_RNA)
where:
Base-Base interactions energy: -22.939
where: short stacking energy: -10.201
Base-Backbone interact. energy: -0.448
local terms energy: -22.341841
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.460
flat angles C4'-P-C4' energy: -5.559
flat angles P-C4'-P energy: -3.605
tors. eta vs tors. theta energy: -1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -45.909709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.909709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.909709 (E_RNA)
where:
Base-Base interactions energy: -20.212
where: short stacking energy: -20.212
Base-Backbone interact. energy: -0.000
local terms energy: -25.697298
where:
bonds (distance) C4'-P energy: -3.663
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.957
flat angles P-C4'-P energy: -4.313
tors. eta vs tors. theta energy: -4.631
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: 8
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -47.946042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.946042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.946042 (E_RNA)
where:
Base-Base interactions energy: -21.177
where: short stacking energy: -21.177
Base-Backbone interact. energy: -0.000
local terms energy: -26.768601
where:
bonds (distance) C4'-P energy: -3.928
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -6.740
flat angles P-C4'-P energy: -4.327
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: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -41.882849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.882849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.882849 (E_RNA)
where:
Base-Base interactions energy: -14.545
where: short stacking energy: -14.545
Base-Backbone interact. energy: -0.000
local terms energy: -27.338241
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.699
flat angles P-C4'-P energy: -4.542
tors. eta vs tors. theta energy: -4.088
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: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -45.986562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.986562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.986562 (E_RNA)
where:
Base-Base interactions energy: -17.981
where: short stacking energy: -17.981
Base-Backbone interact. energy: -0.000
local terms energy: -28.005153
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.522
flat angles C4'-P-C4' energy: -6.260
flat angles P-C4'-P energy: -4.255
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -37.167264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.167264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.167264 (E_RNA)
where:
Base-Base interactions energy: -18.259
where: short stacking energy: -12.607
Base-Backbone interact. energy: -0.369
local terms energy: -18.539429
where:
bonds (distance) C4'-P energy: -4.859
bonds (distance) P-C4' energy: -5.494
flat angles C4'-P-C4' energy: -4.835
flat angles P-C4'-P energy: -2.071
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -34.901514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.901514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.901514 (E_RNA)
where:
Base-Base interactions energy: -14.606
where: short stacking energy: -14.606
Base-Backbone interact. energy: -0.000
local terms energy: -20.295915
where:
bonds (distance) C4'-P energy: -2.909
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -5.017
flat angles P-C4'-P energy: -4.795
tors. eta vs tors. theta energy: -1.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -39.700534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.700534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.700534 (E_RNA)
where:
Base-Base interactions energy: -17.990
where: short stacking energy: -17.990
Base-Backbone interact. energy: -0.003
local terms energy: -21.707964
where:
bonds (distance) C4'-P energy: -3.262
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -4.738
flat angles P-C4'-P energy: -3.344
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -35.643603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.643603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.643603 (E_RNA)
where:
Base-Base interactions energy: -12.657
where: short stacking energy: -12.657
Base-Backbone interact. energy: -0.000
local terms energy: -22.986463
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -5.774
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -2.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -50.480842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.480842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.480842 (E_RNA)
where:
Base-Base interactions energy: -20.951
where: short stacking energy: -20.951
Base-Backbone interact. energy: -0.000
local terms energy: -29.529390
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -5.226
flat angles P-C4'-P energy: -4.942
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: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -45.596120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.596120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.596120 (E_RNA)
where:
Base-Base interactions energy: -23.176
where: short stacking energy: -17.724
Base-Backbone interact. energy: -0.000
local terms energy: -22.419965
where:
bonds (distance) C4'-P energy: -4.346
bonds (distance) P-C4' energy: -6.100
flat angles C4'-P-C4' energy: -3.920
flat angles P-C4'-P energy: -3.853
tors. eta vs tors. theta energy: -4.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -54.125651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.125651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.125651 (E_RNA)
where:
Base-Base interactions energy: -28.636
where: short stacking energy: -15.350
Base-Backbone interact. energy: -1.765
local terms energy: -23.724304
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -4.875
flat angles P-C4'-P energy: -5.241
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -44.817677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.817677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.817677 (E_RNA)
where:
Base-Base interactions energy: -20.493
where: short stacking energy: -20.493
Base-Backbone interact. energy: -0.000
local terms energy: -24.324176
where:
bonds (distance) C4'-P energy: -1.157
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.974
flat angles P-C4'-P energy: -4.223
tors. eta vs tors. theta energy: -6.327
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: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -40.985486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.985486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.985486 (E_RNA)
where:
Base-Base interactions energy: -17.377
where: short stacking energy: -17.377
Base-Backbone interact. energy: -0.000
local terms energy: -23.607949
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -2.963
flat angles C4'-P-C4' energy: -4.851
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -5.928
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: 6, replica: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -39.392336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.392336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.392336 (E_RNA)
where:
Base-Base interactions energy: -14.503
where: short stacking energy: -14.503
Base-Backbone interact. energy: -0.000
local terms energy: -24.889297
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -6.341
flat angles P-C4'-P energy: -4.191
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: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -44.009404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.009404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.009404 (E_RNA)
where:
Base-Base interactions energy: -16.625
where: short stacking energy: -16.625
Base-Backbone interact. energy: 0.015
local terms energy: -27.399041
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -6.233
flat angles P-C4'-P energy: -3.113
tors. eta vs tors. theta energy: -5.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -37.093192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.093192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.093192 (E_RNA)
where:
Base-Base interactions energy: -14.327
where: short stacking energy: -14.327
Base-Backbone interact. energy: -0.000
local terms energy: -22.765888
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -4.103
flat angles C4'-P-C4' energy: -5.868
flat angles P-C4'-P energy: -3.134
tors. eta vs tors. theta energy: -4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -35.114528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.114528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.114528 (E_RNA)
where:
Base-Base interactions energy: -14.453
where: short stacking energy: -14.453
Base-Backbone interact. energy: -0.005
local terms energy: -20.656782
where:
bonds (distance) C4'-P energy: -5.025
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.216
flat angles P-C4'-P energy: -2.023
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: 3
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -33.957451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.957451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.957451 (E_RNA)
where:
Base-Base interactions energy: -17.162
where: short stacking energy: -7.003
Base-Backbone interact. energy: -0.003
local terms energy: -16.792602
where:
bonds (distance) C4'-P energy: -3.705
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -5.320
flat angles P-C4'-P energy: -2.569
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: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -49.263888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.263888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.263888 (E_RNA)
where:
Base-Base interactions energy: -19.633
where: short stacking energy: -19.633
Base-Backbone interact. energy: -0.000
local terms energy: -29.630752
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -6.328
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: -5.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -47.295220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.295220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.295220 (E_RNA)
where:
Base-Base interactions energy: -20.160
where: short stacking energy: -20.160
Base-Backbone interact. energy: -0.000
local terms energy: -27.135028
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -5.582
flat angles C4'-P-C4' energy: -6.420
flat angles P-C4'-P energy: -4.775
tors. eta vs tors. theta energy: -4.886
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: 113
Temperature: 1.000000
Total energy: -47.181715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.181715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.181715 (E_RNA)
where:
Base-Base interactions energy: -20.495
where: short stacking energy: -20.495
Base-Backbone interact. energy: -0.000
local terms energy: -26.686350
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.126
flat angles P-C4'-P energy: -4.083
tors. eta vs tors. theta energy: -6.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -39.470847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.470847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.470847 (E_RNA)
where:
Base-Base interactions energy: -17.798
where: short stacking energy: -17.798
Base-Backbone interact. energy: -0.000
local terms energy: -21.672243
where:
bonds (distance) C4'-P energy: -5.705
bonds (distance) P-C4' energy: -3.324
flat angles C4'-P-C4' energy: -4.724
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -39.561401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.561401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.561401 (E_RNA)
where:
Base-Base interactions energy: -13.803
where: short stacking energy: -13.803
Base-Backbone interact. energy: -0.002
local terms energy: -25.755923
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -6.317
flat angles P-C4'-P energy: -3.620
tors. eta vs tors. theta energy: -3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -41.460863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.460863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.460863 (E_RNA)
where:
Base-Base interactions energy: -18.641
where: short stacking energy: -14.244
Base-Backbone interact. energy: -0.002
local terms energy: -22.817250
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -6.622
flat angles P-C4'-P energy: -2.461
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: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -40.324506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.324506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.324506 (E_RNA)
where:
Base-Base interactions energy: -18.465
where: short stacking energy: -18.465
Base-Backbone interact. energy: -0.003
local terms energy: -21.855592
where:
bonds (distance) C4'-P energy: -4.921
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -4.107
flat angles P-C4'-P energy: -3.311
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -37.527607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.527607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.527607 (E_RNA)
where:
Base-Base interactions energy: -14.137
where: short stacking energy: -14.137
Base-Backbone interact. energy: -0.000
local terms energy: -23.390760
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -5.273
flat angles C4'-P-C4' energy: -4.336
flat angles P-C4'-P energy: -2.499
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -32.350957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.350957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.350957 (E_RNA)
where:
Base-Base interactions energy: -13.887
where: short stacking energy: -13.615
Base-Backbone interact. energy: -0.213
local terms energy: -18.250907
where:
bonds (distance) C4'-P energy: -1.689
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -6.730
flat angles P-C4'-P energy: -3.965
tors. eta vs tors. theta energy: 0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -30.727320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.727320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.727320 (E_RNA)
where:
Base-Base interactions energy: -11.679
where: short stacking energy: -11.679
Base-Backbone interact. energy: -0.065
local terms energy: -18.983759
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -3.649
flat angles P-C4'-P energy: -1.936
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -49.195870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.195870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.195870 (E_RNA)
where:
Base-Base interactions energy: -21.637
where: short stacking energy: -21.637
Base-Backbone interact. energy: -0.000
local terms energy: -27.558983
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.352
flat angles P-C4'-P energy: -3.327
tors. eta vs tors. theta energy: -6.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -46.350121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.350121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.350121 (E_RNA)
where:
Base-Base interactions energy: -19.459
where: short stacking energy: -19.459
Base-Backbone interact. energy: -0.000
local terms energy: -26.891002
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.992
flat angles P-C4'-P energy: -3.179
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: 3, replica: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -48.906721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.906721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.906721 (E_RNA)
where:
Base-Base interactions energy: -23.808
where: short stacking energy: -23.808
Base-Backbone interact. energy: -0.000
local terms energy: -25.098400
where:
bonds (distance) C4'-P energy: -3.440
bonds (distance) P-C4' energy: -4.910
flat angles C4'-P-C4' energy: -5.776
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -6.809
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: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -38.459980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.459980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.459980 (E_RNA)
where:
Base-Base interactions energy: -12.629
where: short stacking energy: -12.629
Base-Backbone interact. energy: -0.000
local terms energy: -25.830936
where:
bonds (distance) C4'-P energy: -6.168
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.171
flat angles P-C4'-P energy: -4.043
tors. eta vs tors. theta energy: -2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -43.644328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.644328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.644328 (E_RNA)
where:
Base-Base interactions energy: -17.696
where: short stacking energy: -17.696
Base-Backbone interact. energy: -0.000
local terms energy: -25.948267
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -6.128
flat angles P-C4'-P energy: -3.638
tors. eta vs tors. theta energy: -5.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -37.966884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.966884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.966884 (E_RNA)
where:
Base-Base interactions energy: -15.816
where: short stacking energy: -16.371
Base-Backbone interact. energy: -0.003
local terms energy: -22.148045
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.533
flat angles P-C4'-P energy: -2.555
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: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -37.525570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.525570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.525570 (E_RNA)
where:
Base-Base interactions energy: -13.814
where: short stacking energy: -12.457
Base-Backbone interact. energy: -0.002
local terms energy: -23.708813
where:
bonds (distance) C4'-P energy: -3.138
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -5.970
flat angles P-C4'-P energy: -4.164
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: 8, replica: 5
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -35.384015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.384015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.384015 (E_RNA)
where:
Base-Base interactions energy: -17.798
where: short stacking energy: -12.716
Base-Backbone interact. energy: -0.049
local terms energy: -17.536812
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -4.181
flat angles C4'-P-C4' energy: -3.182
flat angles P-C4'-P energy: -1.738
tors. eta vs tors. theta energy: -2.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -40.306277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.306277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.306277 (E_RNA)
where:
Base-Base interactions energy: -19.984
where: short stacking energy: -19.984
Base-Backbone interact. energy: -0.000
local terms energy: -20.321780
where:
bonds (distance) C4'-P energy: -4.773
bonds (distance) P-C4' energy: -4.195
flat angles C4'-P-C4' energy: -3.993
flat angles P-C4'-P energy: -3.017
tors. eta vs tors. theta energy: -4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -32.798936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.798936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.798936 (E_RNA)
where:
Base-Base interactions energy: -12.345
where: short stacking energy: -12.177
Base-Backbone interact. energy: -0.000
local terms energy: -20.453400
where:
bonds (distance) C4'-P energy: -3.928
bonds (distance) P-C4' energy: -4.168
flat angles C4'-P-C4' energy: -4.406
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: -3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -48.874054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.874054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.874054 (E_RNA)
where:
Base-Base interactions energy: -22.081
where: short stacking energy: -22.081
Base-Backbone interact. energy: -0.000
local terms energy: -26.793238
where:
bonds (distance) C4'-P energy: -4.913
bonds (distance) P-C4' energy: -5.146
flat angles C4'-P-C4' energy: -5.497
flat angles P-C4'-P energy: -3.034
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -48.276850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.276850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.276850 (E_RNA)
where:
Base-Base interactions energy: -20.533
where: short stacking energy: -20.533
Base-Backbone interact. energy: -0.000
local terms energy: -27.743549
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.815
flat angles P-C4'-P energy: -4.200
tors. eta vs tors. theta energy: -5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -46.755430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.755430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.755430 (E_RNA)
where:
Base-Base interactions energy: -22.472
where: short stacking energy: -22.472
Base-Backbone interact. energy: -0.000
local terms energy: -24.283771
where:
bonds (distance) C4'-P energy: -3.928
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.480
flat angles P-C4'-P energy: -4.362
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: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -42.671586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.671586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.671586 (E_RNA)
where:
Base-Base interactions energy: -19.440
where: short stacking energy: -19.440
Base-Backbone interact. energy: -0.000
local terms energy: -23.232028
where:
bonds (distance) C4'-P energy: -4.807
bonds (distance) P-C4' energy: -3.839
flat angles C4'-P-C4' energy: -5.323
flat angles P-C4'-P energy: -4.478
tors. eta vs tors. theta energy: -4.785
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: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -42.220721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.220721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.220721 (E_RNA)
where:
Base-Base interactions energy: -18.949
where: short stacking energy: -18.949
Base-Backbone interact. energy: -0.000
local terms energy: -23.271549
where:
bonds (distance) C4'-P energy: -5.153
bonds (distance) P-C4' energy: -3.221
flat angles C4'-P-C4' energy: -5.232
flat angles P-C4'-P energy: -3.483
tors. eta vs tors. theta energy: -6.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -47.844648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.844648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.844648 (E_RNA)
where:
Base-Base interactions energy: -17.945
where: short stacking energy: -17.945
Base-Backbone interact. energy: -0.000
local terms energy: -29.899804
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.466
flat angles P-C4'-P energy: -5.057
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: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -44.258253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.258253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.258253 (E_RNA)
where:
Base-Base interactions energy: -19.634
where: short stacking energy: -19.634
Base-Backbone interact. energy: -0.000
local terms energy: -24.623899
where:
bonds (distance) C4'-P energy: -3.866
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -4.694
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -35.833052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.833052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.833052 (E_RNA)
where:
Base-Base interactions energy: -12.875
where: short stacking energy: -12.875
Base-Backbone interact. energy: -0.000
local terms energy: -22.957795
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -3.498
flat angles C4'-P-C4' energy: -3.369
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -5.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -32.724034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.724034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.724034 (E_RNA)
where:
Base-Base interactions energy: -12.264
where: short stacking energy: -12.264
Base-Backbone interact. energy: -0.019
local terms energy: -20.440472
where:
bonds (distance) C4'-P energy: -4.913
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -5.649
flat angles P-C4'-P energy: -3.470
tors. eta vs tors. theta energy: -0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -37.606269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.606269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.606269 (E_RNA)
where:
Base-Base interactions energy: -15.085
where: short stacking energy: -15.085
Base-Backbone interact. energy: 0.790
local terms energy: -23.311277
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -4.807
flat angles C4'-P-C4' energy: -6.677
flat angles P-C4'-P energy: -3.837
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: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -39.999016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.999016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.999016 (E_RNA)
where:
Base-Base interactions energy: -18.847
where: short stacking energy: -14.913
Base-Backbone interact. energy: -0.000
local terms energy: -21.151879
where:
bonds (distance) C4'-P energy: -4.430
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -5.142
flat angles P-C4'-P energy: -3.794
tors. eta vs tors. theta energy: -1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -41.836603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.836603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.836603 (E_RNA)
where:
Base-Base interactions energy: -19.933
where: short stacking energy: -17.244
Base-Backbone interact. energy: -0.033
local terms energy: -21.870131
where:
bonds (distance) C4'-P energy: -4.789
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.468
flat angles P-C4'-P energy: -2.239
tors. eta vs tors. theta energy: -2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -41.588759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.588759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.588759 (E_RNA)
where:
Base-Base interactions energy: -16.154
where: short stacking energy: -16.154
Base-Backbone interact. energy: -0.000
local terms energy: -25.435057
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -5.695
flat angles P-C4'-P energy: -3.536
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -42.003902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.003902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.003902 (E_RNA)
where:
Base-Base interactions energy: -19.982
where: short stacking energy: -19.982
Base-Backbone interact. energy: -0.000
local terms energy: -22.022360
where:
bonds (distance) C4'-P energy: -3.087
bonds (distance) P-C4' energy: -5.920
flat angles C4'-P-C4' energy: -6.521
flat angles P-C4'-P energy: -1.103
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: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -38.677364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.677364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.677364 (E_RNA)
where:
Base-Base interactions energy: -14.287
where: short stacking energy: -14.287
Base-Backbone interact. energy: -0.000
local terms energy: -24.390589
where:
bonds (distance) C4'-P energy: -4.587
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.833
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -38.588638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.588638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.588638 (E_RNA)
where:
Base-Base interactions energy: -16.464
where: short stacking energy: -14.497
Base-Backbone interact. energy: -0.003
local terms energy: -22.122249
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -2.807
flat angles P-C4'-P energy: -3.162
tors. eta vs tors. theta energy: -4.432
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: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -42.623355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.623355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.623355 (E_RNA)
where:
Base-Base interactions energy: -20.539
where: short stacking energy: -20.192
Base-Backbone interact. energy: -0.000
local terms energy: -22.083917
where:
bonds (distance) C4'-P energy: -3.841
bonds (distance) P-C4' energy: -4.643
flat angles C4'-P-C4' energy: -5.785
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: -4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -34.492157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.492157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.492157 (E_RNA)
where:
Base-Base interactions energy: -10.486
where: short stacking energy: -10.486
Base-Backbone interact. energy: -0.001
local terms energy: -24.005560
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.321
flat angles P-C4'-P energy: -4.413
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: 9, replica: 2
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -35.570990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.570990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.570990 (E_RNA)
where:
Base-Base interactions energy: -15.315
where: short stacking energy: -15.315
Base-Backbone interact. energy: -0.002
local terms energy: -20.253977
where:
bonds (distance) C4'-P energy: -3.680
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -2.318
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -30.989325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.989325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.989325 (E_RNA)
where:
Base-Base interactions energy: -12.688
where: short stacking energy: -6.337
Base-Backbone interact. energy: -0.033
local terms energy: -18.267847
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -3.799
flat angles P-C4'-P energy: -1.178
tors. eta vs tors. theta energy: -1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -48.313300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.313300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.313300 (E_RNA)
where:
Base-Base interactions energy: -19.141
where: short stacking energy: -19.141
Base-Backbone interact. energy: -0.000
local terms energy: -29.171805
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -5.217
flat angles P-C4'-P energy: -4.508
tors. eta vs tors. theta energy: -6.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -49.608554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.608554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.608554 (E_RNA)
where:
Base-Base interactions energy: -29.172
where: short stacking energy: -18.049
Base-Backbone interact. energy: -0.002
local terms energy: -20.434691
where:
bonds (distance) C4'-P energy: -5.431
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.252
flat angles P-C4'-P energy: -1.589
tors. eta vs tors. theta energy: -1.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -48.063960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.063960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.063960 (E_RNA)
where:
Base-Base interactions energy: -27.494
where: short stacking energy: -12.882
Base-Backbone interact. energy: -0.001
local terms energy: -20.568884
where:
bonds (distance) C4'-P energy: -3.571
bonds (distance) P-C4' energy: -6.678
flat angles C4'-P-C4' energy: -5.745
flat angles P-C4'-P energy: -3.063
tors. eta vs tors. theta energy: -1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -41.279492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.279492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.279492 (E_RNA)
where:
Base-Base interactions energy: -16.676
where: short stacking energy: -16.676
Base-Backbone interact. energy: -0.000
local terms energy: -24.602888
where:
bonds (distance) C4'-P energy: -4.851
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.605
flat angles P-C4'-P energy: -3.938
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: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -35.649651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.649651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.649651 (E_RNA)
where:
Base-Base interactions energy: -12.492
where: short stacking energy: -12.492
Base-Backbone interact. energy: -0.000
local terms energy: -23.157852
where:
bonds (distance) C4'-P energy: -4.151
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.672
flat angles P-C4'-P energy: -3.753
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: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -37.636616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.636616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.636616 (E_RNA)
where:
Base-Base interactions energy: -15.245
where: short stacking energy: -15.245
Base-Backbone interact. energy: -0.045
local terms energy: -22.346671
where:
bonds (distance) C4'-P energy: -3.378
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.059
flat angles P-C4'-P energy: -2.558
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: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -34.603460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.603460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.603460 (E_RNA)
where:
Base-Base interactions energy: -15.465
where: short stacking energy: -15.000
Base-Backbone interact. energy: -0.119
local terms energy: -19.019447
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -4.392
flat angles C4'-P-C4' energy: -4.436
flat angles P-C4'-P energy: -2.339
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: 8, replica: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -35.732318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.732318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.732318 (E_RNA)
where:
Base-Base interactions energy: -13.676
where: short stacking energy: -13.676
Base-Backbone interact. energy: -0.000
local terms energy: -22.056637
where:
bonds (distance) C4'-P energy: -5.055
bonds (distance) P-C4' energy: -5.748
flat angles C4'-P-C4' energy: -5.852
flat angles P-C4'-P energy: -0.643
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: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -34.371736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.371736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.371736 (E_RNA)
where:
Base-Base interactions energy: -13.651
where: short stacking energy: -9.268
Base-Backbone interact. energy: -0.002
local terms energy: -20.718626
where:
bonds (distance) C4'-P energy: -4.748
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -5.211
flat angles P-C4'-P energy: -2.096
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: 10, replica: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -36.599270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.599270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.599270 (E_RNA)
where:
Base-Base interactions energy: -13.286
where: short stacking energy: -11.273
Base-Backbone interact. energy: -0.171
local terms energy: -23.142736
where:
bonds (distance) C4'-P energy: -5.349
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -5.550
flat angles P-C4'-P energy: -5.000
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: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -49.077322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.077322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.077322 (E_RNA)
where:
Base-Base interactions energy: -21.725
where: short stacking energy: -21.696
Base-Backbone interact. energy: -0.000
local terms energy: -27.352415
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -5.881
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -45.304081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.304081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.304081 (E_RNA)
where:
Base-Base interactions energy: -21.472
where: short stacking energy: -21.472
Base-Backbone interact. energy: -0.008
local terms energy: -23.823893
where:
bonds (distance) C4'-P energy: -4.993
bonds (distance) P-C4' energy: -4.910
flat angles C4'-P-C4' energy: -6.010
flat angles P-C4'-P energy: -2.837
tors. eta vs tors. theta energy: -5.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -40.231978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.231978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.231978 (E_RNA)
where:
Base-Base interactions energy: -17.176
where: short stacking energy: -17.176
Base-Backbone interact. energy: -0.000
local terms energy: -23.056111
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.150
flat angles P-C4'-P energy: -0.104
tors. eta vs tors. theta energy: -6.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -34.023679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.023679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.023679 (E_RNA)
where:
Base-Base interactions energy: -12.459
where: short stacking energy: -12.459
Base-Backbone interact. energy: -0.125
local terms energy: -21.439837
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.767
flat angles C4'-P-C4' energy: -5.363
flat angles P-C4'-P energy: -2.414
tors. eta vs tors. theta energy: -1.667
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: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -36.957806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.957806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.957806 (E_RNA)
where:
Base-Base interactions energy: -12.288
where: short stacking energy: -12.288
Base-Backbone interact. energy: -0.000
local terms energy: -24.669778
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -3.399
flat angles P-C4'-P energy: -3.833
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -41.800412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.800412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.800412 (E_RNA)
where:
Base-Base interactions energy: -20.449
where: short stacking energy: -20.449
Base-Backbone interact. energy: -0.000
local terms energy: -21.351312
where:
bonds (distance) C4'-P energy: -4.479
bonds (distance) P-C4' energy: -4.681
flat angles C4'-P-C4' energy: -3.999
flat angles P-C4'-P energy: -2.627
tors. eta vs tors. theta energy: -5.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -47.806760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.806760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.806760 (E_RNA)
where:
Base-Base interactions energy: -20.299
where: short stacking energy: -20.299
Base-Backbone interact. energy: -0.000
local terms energy: -27.508053
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -5.952
flat angles P-C4'-P energy: -4.537
tors. eta vs tors. theta energy: -4.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -33.929956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.929956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.929956 (E_RNA)
where:
Base-Base interactions energy: -15.421
where: short stacking energy: -11.225
Base-Backbone interact. energy: -0.010
local terms energy: -18.498813
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -0.934
flat angles P-C4'-P energy: -3.491
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -30.452427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.452427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.452427 (E_RNA)
where:
Base-Base interactions energy: -13.733
where: short stacking energy: -13.733
Base-Backbone interact. energy: -0.160
local terms energy: -16.559825
where:
bonds (distance) C4'-P energy: -6.139
bonds (distance) P-C4' energy: -3.926
flat angles C4'-P-C4' energy: -2.230
flat angles P-C4'-P energy: -1.715
tors. eta vs tors. theta energy: -2.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -34.998210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.998210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.998210 (E_RNA)
where:
Base-Base interactions energy: -15.155
where: short stacking energy: -15.155
Base-Backbone interact. energy: -0.002
local terms energy: -19.841663
where:
bonds (distance) C4'-P energy: -1.706
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.211
flat angles P-C4'-P energy: -3.170
tors. eta vs tors. theta energy: -1.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -55.436349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.436349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.436349 (E_RNA)
where:
Base-Base interactions energy: -31.379
where: short stacking energy: -17.702
Base-Backbone interact. energy: -0.003
local terms energy: -24.054477
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -5.585
flat angles P-C4'-P energy: -3.075
tors. eta vs tors. theta energy: -3.322
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: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -41.193322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.193322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.193322 (E_RNA)
where:
Base-Base interactions energy: -18.393
where: short stacking energy: -18.393
Base-Backbone interact. energy: -0.000
local terms energy: -22.799607
where:
bonds (distance) C4'-P energy: -4.122
bonds (distance) P-C4' energy: -5.153
flat angles C4'-P-C4' energy: -4.800
flat angles P-C4'-P energy: -2.319
tors. eta vs tors. theta energy: -6.406
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: 6
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -40.751079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.751079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.751079 (E_RNA)
where:
Base-Base interactions energy: -14.985
where: short stacking energy: -14.985
Base-Backbone interact. energy: -0.000
local terms energy: -25.766348
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -5.961
flat angles P-C4'-P energy: -3.515
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -42.789495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.789495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.789495 (E_RNA)
where:
Base-Base interactions energy: -17.558
where: short stacking energy: -17.558
Base-Backbone interact. energy: -0.001
local terms energy: -25.230648
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -4.341
flat angles P-C4'-P energy: -3.974
tors. eta vs tors. theta energy: -5.184
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: 8
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -37.705062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.705062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.705062 (E_RNA)
where:
Base-Base interactions energy: -15.693
where: short stacking energy: -11.786
Base-Backbone interact. energy: -0.026
local terms energy: -21.985858
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -3.734
flat angles C4'-P-C4' energy: -5.042
flat angles P-C4'-P energy: -4.856
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -32.938182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.938182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.938182 (E_RNA)
where:
Base-Base interactions energy: -13.788
where: short stacking energy: -13.788
Base-Backbone interact. energy: -0.001
local terms energy: -19.150113
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.521
flat angles P-C4'-P energy: -3.128
tors. eta vs tors. theta energy: -0.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -44.556775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.556775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.556775 (E_RNA)
where:
Base-Base interactions energy: -18.123
where: short stacking energy: -18.123
Base-Backbone interact. energy: -0.000
local terms energy: -26.433755
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -5.734
flat angles C4'-P-C4' energy: -5.727
flat angles P-C4'-P energy: -4.727
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: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -31.742355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.742355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.742355 (E_RNA)
where:
Base-Base interactions energy: -12.266
where: short stacking energy: -8.196
Base-Backbone interact. energy: -0.068
local terms energy: -19.407650
where:
bonds (distance) C4'-P energy: -5.651
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -1.543
flat angles P-C4'-P energy: -2.992
tors. eta vs tors. theta energy: -2.088
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: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -34.416629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.416629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.416629 (E_RNA)
where:
Base-Base interactions energy: -19.744
where: short stacking energy: -11.461
Base-Backbone interact. energy: -0.092
local terms energy: -14.580652
where:
bonds (distance) C4'-P energy: -3.539
bonds (distance) P-C4' energy: -2.422
flat angles C4'-P-C4' energy: -4.775
flat angles P-C4'-P energy: -1.539
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -34.197389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.197389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.197389 (E_RNA)
where:
Base-Base interactions energy: -13.427
where: short stacking energy: -13.427
Base-Backbone interact. energy: -0.001
local terms energy: -20.770145
where:
bonds (distance) C4'-P energy: -4.797
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -3.731
flat angles P-C4'-P energy: -0.387
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -44.901566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.901566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.901566 (E_RNA)
where:
Base-Base interactions energy: -19.059
where: short stacking energy: -19.059
Base-Backbone interact. energy: -0.000
local terms energy: -25.842572
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -6.329
flat angles P-C4'-P energy: -1.495
tors. eta vs tors. theta energy: -5.469
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: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -48.387712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.387712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.387712 (E_RNA)
where:
Base-Base interactions energy: -25.168
where: short stacking energy: -10.472
Base-Backbone interact. energy: -0.086
local terms energy: -23.134261
where:
bonds (distance) C4'-P energy: -4.309
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -5.550
flat angles P-C4'-P energy: -3.446
tors. eta vs tors. theta energy: -2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -43.472150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.472150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.472150 (E_RNA)
where:
Base-Base interactions energy: -20.762
where: short stacking energy: -18.599
Base-Backbone interact. energy: -0.000
local terms energy: -22.710263
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -4.585
flat angles C4'-P-C4' energy: -5.196
flat angles P-C4'-P energy: -1.227
tors. eta vs tors. theta energy: -5.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -39.043549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.043549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.043549 (E_RNA)
where:
Base-Base interactions energy: -16.926
where: short stacking energy: -16.926
Base-Backbone interact. energy: -0.007
local terms energy: -22.110145
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -4.184
flat angles C4'-P-C4' energy: -6.622
flat angles P-C4'-P energy: -4.302
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: 5, replica: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -42.296168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.296168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.296168 (E_RNA)
where:
Base-Base interactions energy: -15.586
where: short stacking energy: -14.816
Base-Backbone interact. energy: -0.029
local terms energy: -26.681462
where:
bonds (distance) C4'-P energy: -4.479
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -5.880
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -5.092
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: 8
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -39.757004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.757004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.757004 (E_RNA)
where:
Base-Base interactions energy: -14.680
where: short stacking energy: -14.680
Base-Backbone interact. energy: -0.023
local terms energy: -25.054006
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -5.644
flat angles P-C4'-P energy: -3.711
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: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -33.971072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.971072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.971072 (E_RNA)
where:
Base-Base interactions energy: -14.559
where: short stacking energy: -13.176
Base-Backbone interact. energy: -0.237
local terms energy: -19.174794
where:
bonds (distance) C4'-P energy: -1.200
bonds (distance) P-C4' energy: -3.745
flat angles C4'-P-C4' energy: -6.780
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -33.011455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.011455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.011455 (E_RNA)
where:
Base-Base interactions energy: -10.678
where: short stacking energy: -10.678
Base-Backbone interact. energy: -0.775
local terms energy: -21.557709
where:
bonds (distance) C4'-P energy: -3.998
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -4.718
flat angles P-C4'-P energy: -3.886
tors. eta vs tors. theta energy: -2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -32.989427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.989427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.989427 (E_RNA)
where:
Base-Base interactions energy: -11.523
where: short stacking energy: -11.523
Base-Backbone interact. energy: -0.018
local terms energy: -21.448653
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.393
flat angles P-C4'-P energy: -2.676
tors. eta vs tors. theta energy: -2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -40.500414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.500414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.500414 (E_RNA)
where:
Base-Base interactions energy: -18.225
where: short stacking energy: -18.225
Base-Backbone interact. energy: -0.000
local terms energy: -22.275872
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -5.444
flat angles C4'-P-C4' energy: -3.258
flat angles P-C4'-P energy: -1.824
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -49.127310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.127310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.127310 (E_RNA)
where:
Base-Base interactions energy: -21.592
where: short stacking energy: -21.592
Base-Backbone interact. energy: -0.000
local terms energy: -27.535168
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -4.917
flat angles C4'-P-C4' energy: -5.412
flat angles P-C4'-P energy: -4.464
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: 2, replica: 6
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -43.173081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.173081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.173081 (E_RNA)
where:
Base-Base interactions energy: -18.714
where: short stacking energy: -18.714
Base-Backbone interact. energy: -0.018
local terms energy: -24.440904
where:
bonds (distance) C4'-P energy: -4.686
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.469
flat angles P-C4'-P energy: -4.586
tors. eta vs tors. theta energy: -3.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -45.963568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.963568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.963568 (E_RNA)
where:
Base-Base interactions energy: -22.394
where: short stacking energy: -22.394
Base-Backbone interact. energy: -0.421
local terms energy: -23.148982
where:
bonds (distance) C4'-P energy: -3.423
bonds (distance) P-C4' energy: -3.496
flat angles C4'-P-C4' energy: -6.118
flat angles P-C4'-P energy: -4.719
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: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -42.749504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.749504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.749504 (E_RNA)
where:
Base-Base interactions energy: -20.403
where: short stacking energy: -20.403
Base-Backbone interact. energy: -0.000
local terms energy: -22.346804
where:
bonds (distance) C4'-P energy: -2.293
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -6.761
flat angles P-C4'-P energy: -2.160
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -36.685254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.685254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.685254 (E_RNA)
where:
Base-Base interactions energy: -17.295
where: short stacking energy: -8.124
Base-Backbone interact. energy: -0.053
local terms energy: -19.336962
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -4.354
flat angles P-C4'-P energy: -2.749
tors. eta vs tors. theta energy: 0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -40.040256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.040256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.040256 (E_RNA)
where:
Base-Base interactions energy: -14.352
where: short stacking energy: -14.352
Base-Backbone interact. energy: -0.000
local terms energy: -25.688332
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -4.075
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -4.432
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: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -40.875287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.875287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.875287 (E_RNA)
where:
Base-Base interactions energy: -15.011
where: short stacking energy: -15.011
Base-Backbone interact. energy: -0.000
local terms energy: -25.863859
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -6.324
flat angles P-C4'-P energy: -2.873
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -36.470447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.470447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.470447 (E_RNA)
where:
Base-Base interactions energy: -15.879
where: short stacking energy: -11.020
Base-Backbone interact. energy: -0.008
local terms energy: -20.583766
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -5.746
flat angles P-C4'-P energy: -1.139
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -42.363952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.363952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.363952 (E_RNA)
where:
Base-Base interactions energy: -17.248
where: short stacking energy: -17.248
Base-Backbone interact. energy: -0.000
local terms energy: -25.115929
where:
bonds (distance) C4'-P energy: -3.680
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -4.722
flat angles P-C4'-P energy: -5.062
tors. eta vs tors. theta energy: -4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -32.128823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.128823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.128823 (E_RNA)
where:
Base-Base interactions energy: -13.171
where: short stacking energy: -13.171
Base-Backbone interact. energy: -0.000
local terms energy: -18.957498
where:
bonds (distance) C4'-P energy: -6.023
bonds (distance) P-C4' energy: -4.582
flat angles C4'-P-C4' energy: -4.102
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: 0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -54.692083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.692083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.692083 (E_RNA)
where:
Base-Base interactions energy: -24.688
where: short stacking energy: -24.688
Base-Backbone interact. energy: -0.000
local terms energy: -30.003960
where:
bonds (distance) C4'-P energy: -6.160
bonds (distance) P-C4' energy: -5.995
flat angles C4'-P-C4' energy: -6.637
flat angles P-C4'-P energy: -3.038
tors. eta vs tors. theta energy: -8.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -46.846293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.846293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.846293 (E_RNA)
where:
Base-Base interactions energy: -21.670
where: short stacking energy: -14.325
Base-Backbone interact. energy: -0.001
local terms energy: -25.175196
where:
bonds (distance) C4'-P energy: -5.650
bonds (distance) P-C4' energy: -5.336
flat angles C4'-P-C4' energy: -3.827
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -52.943271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.943271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.943271 (E_RNA)
where:
Base-Base interactions energy: -30.922
where: short stacking energy: -18.774
Base-Backbone interact. energy: -0.017
local terms energy: -22.004257
where:
bonds (distance) C4'-P energy: -4.797
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -6.303
flat angles P-C4'-P energy: -3.266
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: 4, replica: 7
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -44.160023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.160023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.160023 (E_RNA)
where:
Base-Base interactions energy: -21.677
where: short stacking energy: -21.111
Base-Backbone interact. energy: -0.000
local terms energy: -22.482895
where:
bonds (distance) C4'-P energy: -2.847
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -4.583
flat angles P-C4'-P energy: -3.526
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: 5, replica: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -40.441769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.441769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.441769 (E_RNA)
where:
Base-Base interactions energy: -16.205
where: short stacking energy: -16.205
Base-Backbone interact. energy: -0.000
local terms energy: -24.236929
where:
bonds (distance) C4'-P energy: -3.138
bonds (distance) P-C4' energy: -6.118
flat angles C4'-P-C4' energy: -6.276
flat angles P-C4'-P energy: -3.361
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -36.921103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.921103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.921103 (E_RNA)
where:
Base-Base interactions energy: -18.555
where: short stacking energy: -18.555
Base-Backbone interact. energy: -0.008
local terms energy: -18.358349
where:
bonds (distance) C4'-P energy: -4.358
bonds (distance) P-C4' energy: -2.569
flat angles C4'-P-C4' energy: -6.185
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: -1.602
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: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -37.661970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.661970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.661970 (E_RNA)
where:
Base-Base interactions energy: -14.932
where: short stacking energy: -14.431
Base-Backbone interact. energy: -0.002
local terms energy: -22.728041
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -5.576
flat angles C4'-P-C4' energy: -5.442
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: -2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -34.147267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.147267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.147267 (E_RNA)
where:
Base-Base interactions energy: -12.072
where: short stacking energy: -12.072
Base-Backbone interact. energy: -0.000
local terms energy: -22.074970
where:
bonds (distance) C4'-P energy: -4.587
bonds (distance) P-C4' energy: -5.671
flat angles C4'-P-C4' energy: -3.667
flat angles P-C4'-P energy: -1.764
tors. eta vs tors. theta energy: -6.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -34.392042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.392042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.392042 (E_RNA)
where:
Base-Base interactions energy: -15.046
where: short stacking energy: -4.647
Base-Backbone interact. energy: -0.038
local terms energy: -19.308204
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.043
flat angles C4'-P-C4' energy: -5.960
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: 2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -32.579930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.579930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.579930 (E_RNA)
where:
Base-Base interactions energy: -12.901
where: short stacking energy: -12.901
Base-Backbone interact. energy: -0.000
local terms energy: -19.678728
where:
bonds (distance) C4'-P energy: -4.214
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -2.999
flat angles P-C4'-P energy: -3.354
tors. eta vs tors. theta energy: -2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -55.033321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.033321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.033321 (E_RNA)
where:
Base-Base interactions energy: -26.806
where: short stacking energy: -26.806
Base-Backbone interact. energy: -0.000
local terms energy: -28.227591
where:
bonds (distance) C4'-P energy: -3.277
bonds (distance) P-C4' energy: -6.653
flat angles C4'-P-C4' energy: -5.499
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -7.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -53.625883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.625883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.625883 (E_RNA)
where:
Base-Base interactions energy: -30.052
where: short stacking energy: -19.248
Base-Backbone interact. energy: -0.005
local terms energy: -23.568261
where:
bonds (distance) C4'-P energy: -5.125
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -4.303
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -47.255036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.255036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.255036 (E_RNA)
where:
Base-Base interactions energy: -25.008
where: short stacking energy: -21.298
Base-Backbone interact. energy: -0.000
local terms energy: -22.247512
where:
bonds (distance) C4'-P energy: -4.438
bonds (distance) P-C4' energy: -4.920
flat angles C4'-P-C4' energy: -6.053
flat angles P-C4'-P energy: -1.383
tors. eta vs tors. theta energy: -5.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -36.322291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.322291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.322291 (E_RNA)
where:
Base-Base interactions energy: -16.964
where: short stacking energy: -16.964
Base-Backbone interact. energy: -0.003
local terms energy: -19.355261
where:
bonds (distance) C4'-P energy: -3.730
bonds (distance) P-C4' energy: -4.902
flat angles C4'-P-C4' energy: -4.382
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: -2.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -40.251309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.251309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.251309 (E_RNA)
where:
Base-Base interactions energy: -16.232
where: short stacking energy: -16.232
Base-Backbone interact. energy: -0.008
local terms energy: -24.011787
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -4.509
flat angles P-C4'-P energy: -3.722
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: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -39.947999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.947999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.947999 (E_RNA)
where:
Base-Base interactions energy: -18.770
where: short stacking energy: -18.770
Base-Backbone interact. energy: -0.000
local terms energy: -21.178031
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -2.594
flat angles P-C4'-P energy: -2.423
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: 7, replica: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -41.154281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.154281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.154281 (E_RNA)
where:
Base-Base interactions energy: -18.644
where: short stacking energy: -18.644
Base-Backbone interact. energy: -0.007
local terms energy: -22.504083
where:
bonds (distance) C4'-P energy: -2.910
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.051
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: -3.486
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: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -44.477747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.477747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.477747 (E_RNA)
where:
Base-Base interactions energy: -21.671
where: short stacking energy: -21.671
Base-Backbone interact. energy: -0.000
local terms energy: -22.807111
where:
bonds (distance) C4'-P energy: -0.847
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.967
flat angles P-C4'-P energy: -2.739
tors. eta vs tors. theta energy: -6.611
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: 123
Temperature: 1.300000
Total energy: -38.733612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.733612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.733612 (E_RNA)
where:
Base-Base interactions energy: -15.901
where: short stacking energy: -15.901
Base-Backbone interact. energy: -0.000
local terms energy: -22.832399
where:
bonds (distance) C4'-P energy: -4.035
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -5.464
flat angles P-C4'-P energy: -5.127
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -33.523266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.523266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.523266 (E_RNA)
where:
Base-Base interactions energy: -11.947
where: short stacking energy: -10.433
Base-Backbone interact. energy: -0.065
local terms energy: -21.511061
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -4.815
flat angles C4'-P-C4' energy: -4.735
flat angles P-C4'-P energy: -3.026
tors. eta vs tors. theta energy: -4.030
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: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -45.165313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.165313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.165313 (E_RNA)
where:
Base-Base interactions energy: -19.939
where: short stacking energy: -18.059
Base-Backbone interact. energy: -0.828
local terms energy: -24.397654
where:
bonds (distance) C4'-P energy: -4.673
bonds (distance) P-C4' energy: -4.227
flat angles C4'-P-C4' energy: -5.695
flat angles P-C4'-P energy: -4.494
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: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -40.065254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.065254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.065254 (E_RNA)
where:
Base-Base interactions energy: -16.039
where: short stacking energy: -16.039
Base-Backbone interact. energy: -0.000
local terms energy: -24.025901
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.071
flat angles P-C4'-P energy: -2.651
tors. eta vs tors. theta energy: -4.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -47.811216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.811216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.811216 (E_RNA)
where:
Base-Base interactions energy: -20.014
where: short stacking energy: -20.014
Base-Backbone interact. energy: -0.002
local terms energy: -27.795445
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.326
flat angles P-C4'-P energy: -3.257
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -43.482022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.482022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.482022 (E_RNA)
where:
Base-Base interactions energy: -17.000
where: short stacking energy: -17.000
Base-Backbone interact. energy: -0.011
local terms energy: -26.471026
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -4.818
flat angles P-C4'-P energy: -3.796
tors. eta vs tors. theta energy: -5.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -46.029110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.029110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.029110 (E_RNA)
where:
Base-Base interactions energy: -20.417
where: short stacking energy: -20.301
Base-Backbone interact. energy: -0.000
local terms energy: -25.612141
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -5.113
flat angles C4'-P-C4' energy: -4.389
flat angles P-C4'-P energy: -2.669
tors. eta vs tors. theta energy: -8.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -36.157116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.157116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.157116 (E_RNA)
where:
Base-Base interactions energy: -14.810
where: short stacking energy: -14.810
Base-Backbone interact. energy: -0.000
local terms energy: -21.346701
where:
bonds (distance) C4'-P energy: -3.014
bonds (distance) P-C4' energy: -3.482
flat angles C4'-P-C4' energy: -6.187
flat angles P-C4'-P energy: -5.010
tors. eta vs tors. theta energy: -3.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -38.313538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.313538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.313538 (E_RNA)
where:
Base-Base interactions energy: -16.898
where: short stacking energy: -16.898
Base-Backbone interact. energy: -0.045
local terms energy: -21.371094
where:
bonds (distance) C4'-P energy: -5.128
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.008
flat angles P-C4'-P energy: -2.701
tors. eta vs tors. theta energy: -0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -38.150025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.150025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.150025 (E_RNA)
where:
Base-Base interactions energy: -18.416
where: short stacking energy: -18.416
Base-Backbone interact. energy: -0.000
local terms energy: -19.734017
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -1.835
flat angles C4'-P-C4' energy: -5.358
flat angles P-C4'-P energy: -1.853
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -36.375377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.375377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.375377 (E_RNA)
where:
Base-Base interactions energy: -19.645
where: short stacking energy: -9.363
Base-Backbone interact. energy: -0.001
local terms energy: -16.729348
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.533
flat angles P-C4'-P energy: -0.208
tors. eta vs tors. theta energy: 1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -32.409751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.409751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.409751 (E_RNA)
where:
Base-Base interactions energy: -11.255
where: short stacking energy: -11.255
Base-Backbone interact. energy: -0.036
local terms energy: -21.118956
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -5.296
flat angles P-C4'-P energy: -3.704
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: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -53.195982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.195982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.195982 (E_RNA)
where:
Base-Base interactions energy: -23.867
where: short stacking energy: -23.867
Base-Backbone interact. energy: -0.000
local terms energy: -29.329252
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -5.135
flat angles C4'-P-C4' energy: -5.603
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -7.628
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: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -43.302282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.302282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.302282 (E_RNA)
where:
Base-Base interactions energy: -18.773
where: short stacking energy: -18.773
Base-Backbone interact. energy: -0.000
local terms energy: -24.529607
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -5.915
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: -1.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -39.216049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.216049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.216049 (E_RNA)
where:
Base-Base interactions energy: -19.412
where: short stacking energy: -13.393
Base-Backbone interact. energy: 0.471
local terms energy: -20.275494
where:
bonds (distance) C4'-P energy: -5.349
bonds (distance) P-C4' energy: -5.864
flat angles C4'-P-C4' energy: -5.450
flat angles P-C4'-P energy: -3.226
tors. eta vs tors. theta energy: -0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -49.085382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.085382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.085382 (E_RNA)
where:
Base-Base interactions energy: -27.313
where: short stacking energy: -14.340
Base-Backbone interact. energy: -0.001
local terms energy: -21.771868
where:
bonds (distance) C4'-P energy: -4.479
bonds (distance) P-C4' energy: -5.413
flat angles C4'-P-C4' energy: -4.594
flat angles P-C4'-P energy: -4.645
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: 5, replica: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -40.436173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.436173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.436173 (E_RNA)
where:
Base-Base interactions energy: -16.550
where: short stacking energy: -16.550
Base-Backbone interact. energy: -0.005
local terms energy: -23.880650
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -5.773
flat angles C4'-P-C4' energy: -6.530
flat angles P-C4'-P energy: -1.132
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -40.242551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.242551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.242551 (E_RNA)
where:
Base-Base interactions energy: -22.393
where: short stacking energy: -11.551
Base-Backbone interact. energy: -0.019
local terms energy: -17.830940
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -2.861
flat angles C4'-P-C4' energy: -5.599
flat angles P-C4'-P energy: -4.019
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: 7, replica: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -40.225155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.225155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.225155 (E_RNA)
where:
Base-Base interactions energy: -15.681
where: short stacking energy: -15.681
Base-Backbone interact. energy: -0.000
local terms energy: -24.544560
where:
bonds (distance) C4'-P energy: -3.261
bonds (distance) P-C4' energy: -4.617
flat angles C4'-P-C4' energy: -5.926
flat angles P-C4'-P energy: -4.121
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: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -37.790819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.790819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.790819 (E_RNA)
where:
Base-Base interactions energy: -18.390
where: short stacking energy: -18.390
Base-Backbone interact. energy: -0.003
local terms energy: -19.397039
where:
bonds (distance) C4'-P energy: -3.199
bonds (distance) P-C4' energy: -2.175
flat angles C4'-P-C4' energy: -4.569
flat angles P-C4'-P energy: -4.213
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: 3
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -32.326699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.326699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.326699 (E_RNA)
where:
Base-Base interactions energy: -13.899
where: short stacking energy: -13.899
Base-Backbone interact. energy: -0.016
local terms energy: -18.411732
where:
bonds (distance) C4'-P energy: -4.698
bonds (distance) P-C4' energy: -5.826
flat angles C4'-P-C4' energy: -4.905
flat angles P-C4'-P energy: -2.485
tors. eta vs tors. theta energy: -0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -34.071731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.071731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.071731 (E_RNA)
where:
Base-Base interactions energy: -15.696
where: short stacking energy: -15.696
Base-Backbone interact. energy: -0.003
local terms energy: -18.372785
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -4.484
flat angles C4'-P-C4' energy: -3.109
flat angles P-C4'-P energy: -3.678
tors. eta vs tors. theta energy: -1.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -51.698861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.698861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.698861 (E_RNA)
where:
Base-Base interactions energy: -22.657
where: short stacking energy: -22.657
Base-Backbone interact. energy: -0.000
local terms energy: -29.041604
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.361
flat angles C4'-P-C4' energy: -6.180
flat angles P-C4'-P energy: -4.108
tors. eta vs tors. theta energy: -6.056
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: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -44.828587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.828587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.828587 (E_RNA)
where:
Base-Base interactions energy: -18.530
where: short stacking energy: -18.530
Base-Backbone interact. energy: -0.001
local terms energy: -26.298456
where:
bonds (distance) C4'-P energy: -4.036
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.292
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -49.050453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.050453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.050453 (E_RNA)
where:
Base-Base interactions energy: -22.334
where: short stacking energy: -22.334
Base-Backbone interact. energy: -0.000
local terms energy: -26.716312
where:
bonds (distance) C4'-P energy: -2.889
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.921
flat angles P-C4'-P energy: -4.537
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: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -44.220033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.220033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.220033 (E_RNA)
where:
Base-Base interactions energy: -17.964
where: short stacking energy: -17.964
Base-Backbone interact. energy: -0.013
local terms energy: -26.243728
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -5.604
flat angles C4'-P-C4' energy: -5.502
flat angles P-C4'-P energy: -4.454
tors. eta vs tors. theta energy: -4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -38.159570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.159570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.159570 (E_RNA)
where:
Base-Base interactions energy: -14.661
where: short stacking energy: -14.661
Base-Backbone interact. energy: -0.000
local terms energy: -23.498621
where:
bonds (distance) C4'-P energy: -4.318
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -4.198
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -3.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -40.885559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.885559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.885559 (E_RNA)
where:
Base-Base interactions energy: -15.887
where: short stacking energy: -15.887
Base-Backbone interact. energy: -0.001
local terms energy: -24.997101
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -5.408
flat angles P-C4'-P energy: -5.333
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: 1
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -33.585078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.585078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.585078 (E_RNA)
where:
Base-Base interactions energy: -12.322
where: short stacking energy: -12.322
Base-Backbone interact. energy: -0.076
local terms energy: -21.187629
where:
bonds (distance) C4'-P energy: -5.393
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -3.926
flat angles P-C4'-P energy: -3.053
tors. eta vs tors. theta energy: -2.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -37.563062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.563062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.563062 (E_RNA)
where:
Base-Base interactions energy: -15.760
where: short stacking energy: -15.760
Base-Backbone interact. energy: -0.000
local terms energy: -21.803162
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -5.628
flat angles C4'-P-C4' energy: -4.207
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -1.205
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: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -38.691520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.691520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.691520 (E_RNA)
where:
Base-Base interactions energy: -20.140
where: short stacking energy: -20.140
Base-Backbone interact. energy: -0.000
local terms energy: -18.551074
where:
bonds (distance) C4'-P energy: -1.142
bonds (distance) P-C4' energy: -4.027
flat angles C4'-P-C4' energy: -4.649
flat angles P-C4'-P energy: -3.229
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: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -35.477392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.477392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.477392 (E_RNA)
where:
Base-Base interactions energy: -15.770
where: short stacking energy: -13.686
Base-Backbone interact. energy: -0.001
local terms energy: -19.706260
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -3.041
flat angles P-C4'-P energy: -3.519
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: 1, replica: 8
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -46.603319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.603319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.603319 (E_RNA)
where:
Base-Base interactions energy: -21.420
where: short stacking energy: -21.420
Base-Backbone interact. energy: -0.059
local terms energy: -25.124618
where:
bonds (distance) C4'-P energy: -4.425
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -6.470
flat angles P-C4'-P energy: -4.099
tors. eta vs tors. theta energy: -3.673
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: 2, replica: 5
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -47.571154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.571154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.571154 (E_RNA)
where:
Base-Base interactions energy: -20.081
where: short stacking energy: -14.926
Base-Backbone interact. energy: -0.082
local terms energy: -27.408482
where:
bonds (distance) C4'-P energy: -5.253
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.390
flat angles P-C4'-P energy: -3.701
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -48.271044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.271044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.271044 (E_RNA)
where:
Base-Base interactions energy: -19.925
where: short stacking energy: -19.925
Base-Backbone interact. energy: -0.000
local terms energy: -28.345898
where:
bonds (distance) C4'-P energy: -5.340
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.356
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -5.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -46.396015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.396015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.396015 (E_RNA)
where:
Base-Base interactions energy: -20.893
where: short stacking energy: -20.813
Base-Backbone interact. energy: -0.000
local terms energy: -25.502890
where:
bonds (distance) C4'-P energy: -6.060
bonds (distance) P-C4' energy: -5.923
flat angles C4'-P-C4' energy: -5.652
flat angles P-C4'-P energy: -2.052
tors. eta vs tors. theta energy: -5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -41.171792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.171792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.171792 (E_RNA)
where:
Base-Base interactions energy: -18.050
where: short stacking energy: -18.050
Base-Backbone interact. energy: -0.000
local terms energy: -23.121841
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -0.142
flat angles C4'-P-C4' energy: -5.538
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -44.039669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.039669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.039669 (E_RNA)
where:
Base-Base interactions energy: -20.588
where: short stacking energy: -12.923
Base-Backbone interact. energy: -1.053
local terms energy: -22.398814
where:
bonds (distance) C4'-P energy: -5.982
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.424
flat angles P-C4'-P energy: -3.916
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: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -45.947842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.947842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.947842 (E_RNA)
where:
Base-Base interactions energy: -19.701
where: short stacking energy: -19.701
Base-Backbone interact. energy: -0.001
local terms energy: -26.246170
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -4.460
flat angles P-C4'-P energy: -3.198
tors. eta vs tors. theta energy: -6.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -46.386060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.386060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.386060 (E_RNA)
where:
Base-Base interactions energy: -23.842
where: short stacking energy: -14.745
Base-Backbone interact. energy: -0.000
local terms energy: -22.543733
where:
bonds (distance) C4'-P energy: -5.287
bonds (distance) P-C4' energy: -5.826
flat angles C4'-P-C4' energy: -4.474
flat angles P-C4'-P energy: -3.757
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: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -34.090050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.090050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.090050 (E_RNA)
where:
Base-Base interactions energy: -12.463
where: short stacking energy: -12.463
Base-Backbone interact. energy: -0.000
local terms energy: -21.627403
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.558
flat angles P-C4'-P energy: -0.856
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: 10, replica: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -34.943545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.943545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.943545 (E_RNA)
where:
Base-Base interactions energy: -10.023
where: short stacking energy: -10.023
Base-Backbone interact. energy: -0.069
local terms energy: -24.851673
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -4.663
flat angles C4'-P-C4' energy: -5.991
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -47.197638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.197638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.197638 (E_RNA)
where:
Base-Base interactions energy: -20.141
where: short stacking energy: -15.783
Base-Backbone interact. energy: -0.020
local terms energy: -27.036904
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -6.290
flat angles P-C4'-P energy: -3.881
tors. eta vs tors. theta energy: -4.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -43.468328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.468328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.468328 (E_RNA)
where:
Base-Base interactions energy: -17.197
where: short stacking energy: -17.197
Base-Backbone interact. energy: -0.014
local terms energy: -26.257197
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -6.205
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -50.118070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.118070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.118070 (E_RNA)
where:
Base-Base interactions energy: -24.962
where: short stacking energy: -24.962
Base-Backbone interact. energy: -0.000
local terms energy: -25.155598
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.152
flat angles C4'-P-C4' energy: -5.259
flat angles P-C4'-P energy: -2.509
tors. eta vs tors. theta energy: -6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -38.646245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.646245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.646245 (E_RNA)
where:
Base-Base interactions energy: -15.546
where: short stacking energy: -15.546
Base-Backbone interact. energy: -0.014
local terms energy: -23.086373
where:
bonds (distance) C4'-P energy: -3.564
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.277
flat angles P-C4'-P energy: -3.966
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: 5, replica: 1
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -36.778832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.778832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.778832 (E_RNA)
where:
Base-Base interactions energy: -13.011
where: short stacking energy: -13.011
Base-Backbone interact. energy: -0.023
local terms energy: -23.745002
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.283
flat angles P-C4'-P energy: -2.845
tors. eta vs tors. theta energy: -3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -34.885797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.885797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.885797 (E_RNA)
where:
Base-Base interactions energy: -15.027
where: short stacking energy: -15.027
Base-Backbone interact. energy: -0.004
local terms energy: -19.854269
where:
bonds (distance) C4'-P energy: -2.003
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.495
flat angles P-C4'-P energy: -3.385
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: 7, replica: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -32.980611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.980611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.980611 (E_RNA)
where:
Base-Base interactions energy: -12.829
where: short stacking energy: -11.028
Base-Backbone interact. energy: -1.136
local terms energy: -19.015445
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -4.038
flat angles P-C4'-P energy: -3.110
tors. eta vs tors. theta energy: -0.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -35.606703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.606703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.606703 (E_RNA)
where:
Base-Base interactions energy: -14.534
where: short stacking energy: -14.534
Base-Backbone interact. energy: -0.000
local terms energy: -21.072412
where:
bonds (distance) C4'-P energy: -4.078
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -4.366
flat angles P-C4'-P energy: -3.741
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -40.705540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.705540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.705540 (E_RNA)
where:
Base-Base interactions energy: -15.644
where: short stacking energy: -15.644
Base-Backbone interact. energy: -0.000
local terms energy: -25.061954
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -5.374
flat angles C4'-P-C4' energy: -5.623
flat angles P-C4'-P energy: -4.407
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: 10, replica: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -33.345022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.345022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.345022 (E_RNA)
where:
Base-Base interactions energy: -13.755
where: short stacking energy: -11.434
Base-Backbone interact. energy: -0.037
local terms energy: -19.552684
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -3.760
flat angles C4'-P-C4' energy: -4.758
flat angles P-C4'-P energy: -3.854
tors. eta vs tors. theta energy: -1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -51.200411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.200411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.200411 (E_RNA)
where:
Base-Base interactions energy: -22.191
where: short stacking energy: -22.191
Base-Backbone interact. energy: -0.000
local terms energy: -29.009133
where:
bonds (distance) C4'-P energy: -5.543
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.064
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -43.835053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.835053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.835053 (E_RNA)
where:
Base-Base interactions energy: -17.829
where: short stacking energy: -17.829
Base-Backbone interact. energy: -0.100
local terms energy: -25.906130
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.930
flat angles P-C4'-P energy: -4.396
tors. eta vs tors. theta energy: -3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -43.277239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.277239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.277239 (E_RNA)
where:
Base-Base interactions energy: -17.783
where: short stacking energy: -17.783
Base-Backbone interact. energy: -0.009
local terms energy: -25.485230
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -5.737
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -1.960
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: 1
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -42.914040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.914040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.914040 (E_RNA)
where:
Base-Base interactions energy: -20.048
where: short stacking energy: -20.048
Base-Backbone interact. energy: -0.000
local terms energy: -22.866405
where:
bonds (distance) C4'-P energy: -4.499
bonds (distance) P-C4' energy: -5.315
flat angles C4'-P-C4' energy: -5.301
flat angles P-C4'-P energy: -2.946
tors. eta vs tors. theta energy: -4.805
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: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -43.793857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.793857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.793857 (E_RNA)
where:
Base-Base interactions energy: -20.171
where: short stacking energy: -20.171
Base-Backbone interact. energy: -0.000
local terms energy: -23.622568
where:
bonds (distance) C4'-P energy: -4.515
bonds (distance) P-C4' energy: -5.104
flat angles C4'-P-C4' energy: -5.059
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -42.830259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.830259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.830259 (E_RNA)
where:
Base-Base interactions energy: -20.730
where: short stacking energy: -12.528
Base-Backbone interact. energy: -0.025
local terms energy: -22.075981
where:
bonds (distance) C4'-P energy: -4.392
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -5.561
flat angles P-C4'-P energy: -2.740
tors. eta vs tors. theta energy: -2.501
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: 6
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -33.880655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.880655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.880655 (E_RNA)
where:
Base-Base interactions energy: -14.561
where: short stacking energy: -14.561
Base-Backbone interact. energy: -0.000
local terms energy: -19.319547
where:
bonds (distance) C4'-P energy: -5.125
bonds (distance) P-C4' energy: -4.246
flat angles C4'-P-C4' energy: -6.591
flat angles P-C4'-P energy: -2.376
tors. eta vs tors. theta energy: -0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -34.215821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.215821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.215821 (E_RNA)
where:
Base-Base interactions energy: -12.890
where: short stacking energy: -13.548
Base-Backbone interact. energy: -0.002
local terms energy: -21.324458
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -2.810
flat angles P-C4'-P energy: -2.377
tors. eta vs tors. theta energy: -3.465
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: 129
Temperature: 1.300000
Total energy: -45.782114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.782114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.782114 (E_RNA)
where:
Base-Base interactions energy: -19.105
where: short stacking energy: -19.105
Base-Backbone interact. energy: -0.000
local terms energy: -26.676586
where:
bonds (distance) C4'-P energy: -4.615
bonds (distance) P-C4' energy: -6.653
flat angles C4'-P-C4' energy: -6.465
flat angles P-C4'-P energy: -3.275
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -34.942085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.942085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.942085 (E_RNA)
where:
Base-Base interactions energy: -17.507
where: short stacking energy: -12.101
Base-Backbone interact. energy: -0.005
local terms energy: -17.430217
where:
bonds (distance) C4'-P energy: -1.514
bonds (distance) P-C4' energy: -5.566
flat angles C4'-P-C4' energy: -4.985
flat angles P-C4'-P energy: -3.048
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: 1, replica: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -51.603063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.603063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.603063 (E_RNA)
where:
Base-Base interactions energy: -21.262
where: short stacking energy: -21.262
Base-Backbone interact. energy: -0.000
local terms energy: -30.340791
where:
bonds (distance) C4'-P energy: -5.063
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -5.991
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -6.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -48.048587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.048587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.048587 (E_RNA)
where:
Base-Base interactions energy: -22.088
where: short stacking energy: -22.088
Base-Backbone interact. energy: -0.000
local terms energy: -25.960989
where:
bonds (distance) C4'-P energy: -4.624
bonds (distance) P-C4' energy: -5.680
flat angles C4'-P-C4' energy: -6.247
flat angles P-C4'-P energy: -3.610
tors. eta vs tors. theta energy: -5.800
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: 3, replica: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -41.344434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.344434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.344434 (E_RNA)
where:
Base-Base interactions energy: -17.116
where: short stacking energy: -15.366
Base-Backbone interact. energy: -0.379
local terms energy: -23.849394
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -4.438
flat angles C4'-P-C4' energy: -5.338
flat angles P-C4'-P energy: -4.693
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -40.936454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.936454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.936454 (E_RNA)
where:
Base-Base interactions energy: -22.931
where: short stacking energy: -13.408
Base-Backbone interact. energy: -0.007
local terms energy: -17.998673
where:
bonds (distance) C4'-P energy: -5.054
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -0.660
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: -1.814
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: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -41.657283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.657283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.657283 (E_RNA)
where:
Base-Base interactions energy: -18.251
where: short stacking energy: -18.251
Base-Backbone interact. energy: -0.000
local terms energy: -23.406022
where:
bonds (distance) C4'-P energy: -4.123
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -5.271
flat angles P-C4'-P energy: -3.370
tors. eta vs tors. theta energy: -5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -38.620922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.620922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.620922 (E_RNA)
where:
Base-Base interactions energy: -15.541
where: short stacking energy: -15.541
Base-Backbone interact. energy: -0.000
local terms energy: -23.080069
where:
bonds (distance) C4'-P energy: -5.055
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.083
flat angles P-C4'-P energy: -3.266
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: 7, replica: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -33.074489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.074489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.074489 (E_RNA)
where:
Base-Base interactions energy: -12.862
where: short stacking energy: -11.166
Base-Backbone interact. energy: -0.072
local terms energy: -20.141115
where:
bonds (distance) C4'-P energy: -4.383
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.680
flat angles P-C4'-P energy: -3.399
tors. eta vs tors. theta energy: -0.007
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: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -37.200003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.200003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.200003 (E_RNA)
where:
Base-Base interactions energy: -14.119
where: short stacking energy: -14.119
Base-Backbone interact. energy: -0.000
local terms energy: -23.080335
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.091
flat angles P-C4'-P energy: -3.171
tors. eta vs tors. theta energy: -3.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -33.147284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.147284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.147284 (E_RNA)
where:
Base-Base interactions energy: -8.890
where: short stacking energy: -8.890
Base-Backbone interact. energy: -0.047
local terms energy: -24.209938
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -5.857
flat angles P-C4'-P energy: -3.949
tors. eta vs tors. theta energy: -1.842
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: 3
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -34.919040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.919040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.919040 (E_RNA)
where:
Base-Base interactions energy: -16.134
where: short stacking energy: -16.134
Base-Backbone interact. energy: -0.072
local terms energy: -18.712837
where:
bonds (distance) C4'-P energy: -1.568
bonds (distance) P-C4' energy: -5.892
flat angles C4'-P-C4' energy: -5.816
flat angles P-C4'-P energy: -2.237
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -45.061861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.061861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.061861 (E_RNA)
where:
Base-Base interactions energy: -15.723
where: short stacking energy: -15.723
Base-Backbone interact. energy: -0.001
local terms energy: -29.337885
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.292
flat angles P-C4'-P energy: -4.024
tors. eta vs tors. theta energy: -5.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -49.745549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.745549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.745549 (E_RNA)
where:
Base-Base interactions energy: -21.350
where: short stacking energy: -19.425
Base-Backbone interact. energy: -2.278
local terms energy: -26.117194
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -6.094
flat angles P-C4'-P energy: -3.057
tors. eta vs tors. theta energy: -5.369
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: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -47.875062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.875062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.875062 (E_RNA)
where:
Base-Base interactions energy: -24.975
where: short stacking energy: -18.305
Base-Backbone interact. energy: -0.005
local terms energy: -22.894593
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -4.870
flat angles C4'-P-C4' energy: -6.264
flat angles P-C4'-P energy: -1.573
tors. eta vs tors. theta energy: -3.966
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: 131
Temperature: 1.050000
Total energy: -44.522948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.522948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.522948 (E_RNA)
where:
Base-Base interactions energy: -17.016
where: short stacking energy: -17.016
Base-Backbone interact. energy: -0.001
local terms energy: -27.506728
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.826
flat angles C4'-P-C4' energy: -5.318
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: -5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -37.685375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.685375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.685375 (E_RNA)
where:
Base-Base interactions energy: -13.910
where: short stacking energy: -13.910
Base-Backbone interact. energy: -0.000
local terms energy: -23.775736
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -5.494
flat angles C4'-P-C4' energy: -5.274
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: -2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -41.109696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.109696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.109696 (E_RNA)
where:
Base-Base interactions energy: -16.561
where: short stacking energy: -16.561
Base-Backbone interact. energy: -0.037
local terms energy: -24.511179
where:
bonds (distance) C4'-P energy: -4.843
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.401
flat angles P-C4'-P energy: -2.506
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -36.154589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.154589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.154589 (E_RNA)
where:
Base-Base interactions energy: -17.446
where: short stacking energy: -17.446
Base-Backbone interact. energy: -0.001
local terms energy: -18.707701
where:
bonds (distance) C4'-P energy: -3.646
bonds (distance) P-C4' energy: -4.466
flat angles C4'-P-C4' energy: -1.072
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: -5.088
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: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -47.516458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.516458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.516458 (E_RNA)
where:
Base-Base interactions energy: -22.577
where: short stacking energy: -15.343
Base-Backbone interact. energy: -0.047
local terms energy: -24.892450
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -5.762
flat angles P-C4'-P energy: -3.532
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: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -38.734805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.734805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.734805 (E_RNA)
where:
Base-Base interactions energy: -15.644
where: short stacking energy: -15.644
Base-Backbone interact. energy: -0.000
local terms energy: -23.090842
where:
bonds (distance) C4'-P energy: -4.923
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.503
flat angles P-C4'-P energy: -3.635
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -37.551622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.551622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.551622 (E_RNA)
where:
Base-Base interactions energy: -14.137
where: short stacking energy: -14.137
Base-Backbone interact. energy: -0.000
local terms energy: -23.414384
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -2.963
flat angles C4'-P-C4' energy: -6.785
flat angles P-C4'-P energy: -4.460
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: 1, replica: 8
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -58.361812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.361812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.361812 (E_RNA)
where:
Base-Base interactions energy: -31.992
where: short stacking energy: -19.759
Base-Backbone interact. energy: -0.378
local terms energy: -25.991882
where:
bonds (distance) C4'-P energy: -4.815
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -6.449
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: -4.423
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: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -40.662754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.662754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.662754 (E_RNA)
where:
Base-Base interactions energy: -16.460
where: short stacking energy: -9.118
Base-Backbone interact. energy: -0.044
local terms energy: -24.159466
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -6.460
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -0.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -44.838436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.838436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.838436 (E_RNA)
where:
Base-Base interactions energy: -22.189
where: short stacking energy: -13.981
Base-Backbone interact. energy: -0.003
local terms energy: -22.646392
where:
bonds (distance) C4'-P energy: -3.902
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -6.273
flat angles P-C4'-P energy: -1.946
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -46.014259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.014259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.014259 (E_RNA)
where:
Base-Base interactions energy: -20.499
where: short stacking energy: -20.499
Base-Backbone interact. energy: -0.000
local terms energy: -25.514847
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -4.028
flat angles P-C4'-P energy: -4.277
tors. eta vs tors. theta energy: -4.943
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: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -41.521201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.521201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.521201 (E_RNA)
where:
Base-Base interactions energy: -15.645
where: short stacking energy: -15.577
Base-Backbone interact. energy: -0.014
local terms energy: -25.862149
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.607
flat angles P-C4'-P energy: -4.786
tors. eta vs tors. theta energy: -2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -35.863349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.863349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.863349 (E_RNA)
where:
Base-Base interactions energy: -14.261
where: short stacking energy: -14.261
Base-Backbone interact. energy: -0.001
local terms energy: -21.602123
where:
bonds (distance) C4'-P energy: -5.104
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -5.611
flat angles P-C4'-P energy: -3.540
tors. eta vs tors. theta energy: -1.366
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: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -39.744419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.744419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.744419 (E_RNA)
where:
Base-Base interactions energy: -15.087
where: short stacking energy: -15.087
Base-Backbone interact. energy: -0.000
local terms energy: -24.657243
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -5.143
flat angles C4'-P-C4' energy: -6.451
flat angles P-C4'-P energy: -3.648
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: 8, replica: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -33.148037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.148037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.148037 (E_RNA)
where:
Base-Base interactions energy: -13.002
where: short stacking energy: -13.002
Base-Backbone interact. energy: -0.004
local terms energy: -20.141709
where:
bonds (distance) C4'-P energy: -4.380
bonds (distance) P-C4' energy: -3.843
flat angles C4'-P-C4' energy: -5.314
flat angles P-C4'-P energy: -3.266
tors. eta vs tors. theta energy: -3.340
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: 3
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -33.349626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.349626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.349626 (E_RNA)
where:
Base-Base interactions energy: -13.337
where: short stacking energy: -13.337
Base-Backbone interact. energy: -0.000
local terms energy: -20.012738
where:
bonds (distance) C4'-P energy: -4.346
bonds (distance) P-C4' energy: -5.705
flat angles C4'-P-C4' energy: -4.873
flat angles P-C4'-P energy: -2.388
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: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -34.258128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.258128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.258128 (E_RNA)
where:
Base-Base interactions energy: -12.777
where: short stacking energy: -12.777
Base-Backbone interact. energy: -0.000
local terms energy: -21.480997
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -5.711
flat angles P-C4'-P energy: -5.049
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: 8
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -52.757277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.757277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.757277 (E_RNA)
where:
Base-Base interactions energy: -24.138
where: short stacking energy: -14.735
Base-Backbone interact. energy: -1.391
local terms energy: -27.228461
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -5.377
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -44.638670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.638670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.638670 (E_RNA)
where:
Base-Base interactions energy: -23.644
where: short stacking energy: -23.644
Base-Backbone interact. energy: -0.000
local terms energy: -20.994662
where:
bonds (distance) C4'-P energy: -3.034
bonds (distance) P-C4' energy: -4.448
flat angles C4'-P-C4' energy: -5.923
flat angles P-C4'-P energy: -3.285
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -46.178314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.178314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.178314 (E_RNA)
where:
Base-Base interactions energy: -21.142
where: short stacking energy: -21.142
Base-Backbone interact. energy: -0.000
local terms energy: -25.035635
where:
bonds (distance) C4'-P energy: -4.367
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -4.323
flat angles P-C4'-P energy: -4.405
tors. eta vs tors. theta energy: -5.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -35.965314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.965314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.965314 (E_RNA)
where:
Base-Base interactions energy: -13.970
where: short stacking energy: -13.970
Base-Backbone interact. energy: -0.191
local terms energy: -21.804314
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -5.756
flat angles P-C4'-P energy: -2.803
tors. eta vs tors. theta energy: -1.534
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: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -34.865404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.865404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.865404 (E_RNA)
where:
Base-Base interactions energy: -13.682
where: short stacking energy: -9.325
Base-Backbone interact. energy: -0.710
local terms energy: -20.473485
where:
bonds (distance) C4'-P energy: -4.052
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.970
flat angles P-C4'-P energy: -1.871
tors. eta vs tors. theta energy: -1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -38.518471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.518471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.518471 (E_RNA)
where:
Base-Base interactions energy: -16.512
where: short stacking energy: -16.512
Base-Backbone interact. energy: -0.005
local terms energy: -22.001757
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -5.945
flat angles C4'-P-C4' energy: -2.681
flat angles P-C4'-P energy: -4.097
tors. eta vs tors. theta energy: -3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -40.322968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.322968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.322968 (E_RNA)
where:
Base-Base interactions energy: -21.466
where: short stacking energy: -7.156
Base-Backbone interact. energy: -0.000
local terms energy: -18.856629
where:
bonds (distance) C4'-P energy: -4.346
bonds (distance) P-C4' energy: -5.641
flat angles C4'-P-C4' energy: -4.393
flat angles P-C4'-P energy: -2.664
tors. eta vs tors. theta energy: -1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -36.666424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.666424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.666424 (E_RNA)
where:
Base-Base interactions energy: -14.975
where: short stacking energy: -12.313
Base-Backbone interact. energy: -0.000
local terms energy: -21.690929
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -6.263
flat angles P-C4'-P energy: -3.241
tors. eta vs tors. theta energy: -0.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -35.226520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.226520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.226520 (E_RNA)
where:
Base-Base interactions energy: -11.999
where: short stacking energy: -11.999
Base-Backbone interact. energy: -0.000
local terms energy: -23.227817
where:
bonds (distance) C4'-P energy: -5.845
bonds (distance) P-C4' energy: -4.910
flat angles C4'-P-C4' energy: -5.823
flat angles P-C4'-P energy: -3.278
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -37.541689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.541689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.541689 (E_RNA)
where:
Base-Base interactions energy: -16.560
where: short stacking energy: -16.560
Base-Backbone interact. energy: -0.022
local terms energy: -20.958956
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -3.839
flat angles C4'-P-C4' energy: -3.109
flat angles P-C4'-P energy: -4.933
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: 134
Temperature: 0.900000
Total energy: -49.404205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.404205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.404205 (E_RNA)
where:
Base-Base interactions energy: -21.090
where: short stacking energy: -21.090
Base-Backbone interact. energy: -0.000
local terms energy: -28.314632
where:
bonds (distance) C4'-P energy: -6.139
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -5.749
flat angles P-C4'-P energy: -3.323
tors. eta vs tors. theta energy: -6.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -45.934004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.934004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.934004 (E_RNA)
where:
Base-Base interactions energy: -21.549
where: short stacking energy: -15.294
Base-Backbone interact. energy: -0.011
local terms energy: -24.373974
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.460
flat angles C4'-P-C4' energy: -4.542
flat angles P-C4'-P energy: -3.997
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -48.682871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.682871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.682871 (E_RNA)
where:
Base-Base interactions energy: -23.001
where: short stacking energy: -23.001
Base-Backbone interact. energy: -0.000
local terms energy: -25.681668
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -4.533
flat angles C4'-P-C4' energy: -5.396
flat angles P-C4'-P energy: -3.045
tors. eta vs tors. theta energy: -6.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -47.172805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.172805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.172805 (E_RNA)
where:
Base-Base interactions energy: -22.674
where: short stacking energy: -22.674
Base-Backbone interact. energy: -0.000
local terms energy: -24.498303
where:
bonds (distance) C4'-P energy: -1.726
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.049
flat angles P-C4'-P energy: -3.562
tors. eta vs tors. theta energy: -7.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -36.752055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.752055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.752055 (E_RNA)
where:
Base-Base interactions energy: -13.717
where: short stacking energy: -13.717
Base-Backbone interact. energy: -0.039
local terms energy: -22.995670
where:
bonds (distance) C4'-P energy: -3.849
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -5.304
flat angles P-C4'-P energy: -5.019
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: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -38.415237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.415237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.415237 (E_RNA)
where:
Base-Base interactions energy: -15.568
where: short stacking energy: -15.568
Base-Backbone interact. energy: -0.074
local terms energy: -22.773147
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.081
flat angles P-C4'-P energy: -3.281
tors. eta vs tors. theta energy: -2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -35.189854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.189854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.189854 (E_RNA)
where:
Base-Base interactions energy: -12.995
where: short stacking energy: -12.995
Base-Backbone interact. energy: -0.111
local terms energy: -22.083700
where:
bonds (distance) C4'-P energy: -4.719
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.438
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -1.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -31.950915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.950915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.950915 (E_RNA)
where:
Base-Base interactions energy: -10.980
where: short stacking energy: -10.980
Base-Backbone interact. energy: -0.006
local terms energy: -20.964619
where:
bonds (distance) C4'-P energy: -5.241
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.172
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: -0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -38.169953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.169953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.169953 (E_RNA)
where:
Base-Base interactions energy: -17.684
where: short stacking energy: -17.684
Base-Backbone interact. energy: 1.957
local terms energy: -22.443069
where:
bonds (distance) C4'-P energy: -5.096
bonds (distance) P-C4' energy: -3.795
flat angles C4'-P-C4' energy: -4.168
flat angles P-C4'-P energy: -2.700
tors. eta vs tors. theta energy: -6.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -37.384882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.384882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.384882 (E_RNA)
where:
Base-Base interactions energy: -16.202
where: short stacking energy: -16.202
Base-Backbone interact. energy: -0.000
local terms energy: -21.182624
where:
bonds (distance) C4'-P energy: -5.225
bonds (distance) P-C4' energy: -3.349
flat angles C4'-P-C4' energy: -6.081
flat angles P-C4'-P energy: -3.290
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -54.284067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.284067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.284067 (E_RNA)
where:
Base-Base interactions energy: -25.895
where: short stacking energy: -16.757
Base-Backbone interact. energy: -0.000
local terms energy: -28.388864
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.093
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -5.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -49.136157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.136157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.136157 (E_RNA)
where:
Base-Base interactions energy: -21.556
where: short stacking energy: -21.556
Base-Backbone interact. energy: -0.000
local terms energy: -27.579835
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -6.574
flat angles P-C4'-P energy: -3.273
tors. eta vs tors. theta energy: -5.666
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: 135
Temperature: 1.000000
Total energy: -49.986595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.986595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.986595 (E_RNA)
where:
Base-Base interactions energy: -24.145
where: short stacking energy: -17.829
Base-Backbone interact. energy: -0.684
local terms energy: -25.156938
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -4.075
flat angles P-C4'-P energy: -3.482
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: 4, replica: 9
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -42.247603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.247603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.247603 (E_RNA)
where:
Base-Base interactions energy: -23.419
where: short stacking energy: -11.648
Base-Backbone interact. energy: -0.006
local terms energy: -18.822157
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.168
flat angles C4'-P-C4' energy: -3.946
flat angles P-C4'-P energy: -0.612
tors. eta vs tors. theta energy: -3.161
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: 1
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -40.048349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.048349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.048349 (E_RNA)
where:
Base-Base interactions energy: -19.213
where: short stacking energy: -18.771
Base-Backbone interact. energy: -0.000
local terms energy: -20.835085
where:
bonds (distance) C4'-P energy: -5.688
bonds (distance) P-C4' energy: -6.361
flat angles C4'-P-C4' energy: -2.139
flat angles P-C4'-P energy: -1.322
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: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -40.055149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.055149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.055149 (E_RNA)
where:
Base-Base interactions energy: -14.465
where: short stacking energy: -11.983
Base-Backbone interact. energy: -0.090
local terms energy: -25.500046
where:
bonds (distance) C4'-P energy: -4.036
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.971
flat angles P-C4'-P energy: -4.281
tors. eta vs tors. theta energy: -4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -37.880410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.880410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.880410 (E_RNA)
where:
Base-Base interactions energy: -15.112
where: short stacking energy: -15.112
Base-Backbone interact. energy: -0.000
local terms energy: -22.768373
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -5.576
flat angles P-C4'-P energy: -2.902
tors. eta vs tors. theta energy: -1.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -46.276865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.276865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.276865 (E_RNA)
where:
Base-Base interactions energy: -16.645
where: short stacking energy: -16.645
Base-Backbone interact. energy: -0.000
local terms energy: -29.631861
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.169
flat angles P-C4'-P energy: -5.194
tors. eta vs tors. theta energy: -6.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -31.151399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.151399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.151399 (E_RNA)
where:
Base-Base interactions energy: -8.429
where: short stacking energy: -8.429
Base-Backbone interact. energy: -0.000
local terms energy: -22.722384
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.668
flat angles C4'-P-C4' energy: -5.638
flat angles P-C4'-P energy: -3.608
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: 10, replica: 2
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -31.207067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.207067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.207067 (E_RNA)
where:
Base-Base interactions energy: -11.186
where: short stacking energy: -11.186
Base-Backbone interact. energy: -0.001
local terms energy: -20.020319
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -5.284
flat angles P-C4'-P energy: 0.564
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: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -53.555707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.555707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.555707 (E_RNA)
where:
Base-Base interactions energy: -25.196
where: short stacking energy: -25.196
Base-Backbone interact. energy: -0.000
local terms energy: -28.359962
where:
bonds (distance) C4'-P energy: -4.471
bonds (distance) P-C4' energy: -5.660
flat angles C4'-P-C4' energy: -6.242
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -6.869
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: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -51.665265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.665265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.665265 (E_RNA)
where:
Base-Base interactions energy: -27.755
where: short stacking energy: -20.713
Base-Backbone interact. energy: -0.003
local terms energy: -23.907208
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.431
flat angles P-C4'-P energy: -2.364
tors. eta vs tors. theta energy: -5.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -48.132199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.132199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.132199 (E_RNA)
where:
Base-Base interactions energy: -25.544
where: short stacking energy: -18.469
Base-Backbone interact. energy: -0.000
local terms energy: -22.588345
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -6.309
flat angles P-C4'-P energy: -0.814
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: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -44.987454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.987454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.987454 (E_RNA)
where:
Base-Base interactions energy: -20.985
where: short stacking energy: -20.901
Base-Backbone interact. energy: -0.002
local terms energy: -24.000977
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -3.967
flat angles C4'-P-C4' energy: -4.169
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: -5.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -42.945815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.945815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.945815 (E_RNA)
where:
Base-Base interactions energy: -21.452
where: short stacking energy: -21.452
Base-Backbone interact. energy: -0.000
local terms energy: -21.493647
where:
bonds (distance) C4'-P energy: -3.440
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.373
flat angles P-C4'-P energy: -1.872
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -45.213182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.213182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.213182 (E_RNA)
where:
Base-Base interactions energy: -22.814
where: short stacking energy: -22.814
Base-Backbone interact. energy: -0.000
local terms energy: -22.398751
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -4.165
flat angles C4'-P-C4' energy: -4.992
flat angles P-C4'-P energy: -2.175
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: 7, replica: 6
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -40.966063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.966063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.966063 (E_RNA)
where:
Base-Base interactions energy: -17.871
where: short stacking energy: -17.871
Base-Backbone interact. energy: -0.000
local terms energy: -23.095046
where:
bonds (distance) C4'-P energy: -1.499
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -4.451
flat angles P-C4'-P energy: -3.894
tors. eta vs tors. theta energy: -6.114
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: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -37.112068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.112068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.112068 (E_RNA)
where:
Base-Base interactions energy: -15.142
where: short stacking energy: -15.142
Base-Backbone interact. energy: -0.001
local terms energy: -21.969420
where:
bonds (distance) C4'-P energy: -4.993
bonds (distance) P-C4' energy: -5.146
flat angles C4'-P-C4' energy: -3.302
flat angles P-C4'-P energy: -4.961
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: 2
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -34.723179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.723179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.723179 (E_RNA)
where:
Base-Base interactions energy: -15.877
where: short stacking energy: -15.877
Base-Backbone interact. energy: -0.006
local terms energy: -18.840175
where:
bonds (distance) C4'-P energy: -4.296
bonds (distance) P-C4' energy: -5.537
flat angles C4'-P-C4' energy: -4.562
flat angles P-C4'-P energy: -2.377
tors. eta vs tors. theta energy: -2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -34.136472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.136472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.136472 (E_RNA)
where:
Base-Base interactions energy: -22.880
where: short stacking energy: -9.606
Base-Backbone interact. energy: -0.096
local terms energy: -11.160668
where:
bonds (distance) C4'-P energy: -0.005
bonds (distance) P-C4' energy: -4.585
flat angles C4'-P-C4' energy: -4.864
flat angles P-C4'-P energy: -1.344
tors. eta vs tors. theta energy: -0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -55.091058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.091058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.091058 (E_RNA)
where:
Base-Base interactions energy: -28.799
where: short stacking energy: -9.768
Base-Backbone interact. energy: -0.071
local terms energy: -26.221491
where:
bonds (distance) C4'-P energy: -5.145
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -5.826
flat angles P-C4'-P energy: -4.213
tors. eta vs tors. theta energy: -4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -54.073789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.073789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.073789 (E_RNA)
where:
Base-Base interactions energy: -28.484
where: short stacking energy: -17.257
Base-Backbone interact. energy: -0.220
local terms energy: -25.370320
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.642
flat angles P-C4'-P energy: -3.227
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: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -48.255294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.255294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.255294 (E_RNA)
where:
Base-Base interactions energy: -22.931
where: short stacking energy: -22.117
Base-Backbone interact. energy: -0.000
local terms energy: -25.324107
where:
bonds (distance) C4'-P energy: -4.284
bonds (distance) P-C4' energy: -3.997
flat angles C4'-P-C4' energy: -6.181
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -42.137903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.137903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.137903 (E_RNA)
where:
Base-Base interactions energy: -20.561
where: short stacking energy: -20.561
Base-Backbone interact. energy: -0.000
local terms energy: -21.576647
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -5.086
flat angles C4'-P-C4' energy: -5.366
flat angles P-C4'-P energy: -1.718
tors. eta vs tors. theta energy: -4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -41.988801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.988801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.988801 (E_RNA)
where:
Base-Base interactions energy: -17.663
where: short stacking energy: -17.663
Base-Backbone interact. energy: -0.058
local terms energy: -24.268406
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.506
flat angles C4'-P-C4' energy: -6.376
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: -1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -39.859193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.859193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.859193 (E_RNA)
where:
Base-Base interactions energy: -16.003
where: short stacking energy: -16.003
Base-Backbone interact. energy: -0.000
local terms energy: -23.855551
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.047
flat angles C4'-P-C4' energy: -5.464
flat angles P-C4'-P energy: -3.195
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -34.817171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.817171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.817171 (E_RNA)
where:
Base-Base interactions energy: -12.473
where: short stacking energy: -12.473
Base-Backbone interact. energy: -0.003
local terms energy: -22.341204
where:
bonds (distance) C4'-P energy: -4.248
bonds (distance) P-C4' energy: -5.466
flat angles C4'-P-C4' energy: -6.799
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -37.957260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.957260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.957260 (E_RNA)
where:
Base-Base interactions energy: -14.821
where: short stacking energy: -14.821
Base-Backbone interact. energy: -0.006
local terms energy: -23.129758
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.466
flat angles C4'-P-C4' energy: -6.171
flat angles P-C4'-P energy: -3.839
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: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -37.829074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.829074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.829074 (E_RNA)
where:
Base-Base interactions energy: -15.217
where: short stacking energy: -15.217
Base-Backbone interact. energy: -0.000
local terms energy: -22.612368
where:
bonds (distance) C4'-P energy: -4.951
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -4.084
flat angles P-C4'-P energy: -3.038
tors. eta vs tors. theta energy: -4.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -32.279063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.279063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.279063 (E_RNA)
where:
Base-Base interactions energy: -13.502
where: short stacking energy: -13.502
Base-Backbone interact. energy: -0.010
local terms energy: -18.766241
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -4.812
flat angles C4'-P-C4' energy: -3.815
flat angles P-C4'-P energy: -1.847
tors. eta vs tors. theta energy: -2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -54.140513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.140513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.140513 (E_RNA)
where:
Base-Base interactions energy: -30.743
where: short stacking energy: -17.116
Base-Backbone interact. energy: -0.000
local terms energy: -23.397744
where:
bonds (distance) C4'-P energy: -3.468
bonds (distance) P-C4' energy: -5.861
flat angles C4'-P-C4' energy: -5.854
flat angles P-C4'-P energy: -3.032
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: 2, replica: 5
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -48.646152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.646152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.646152 (E_RNA)
where:
Base-Base interactions energy: -29.468
where: short stacking energy: -8.417
Base-Backbone interact. energy: -0.902
local terms energy: -18.276384
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -5.079
flat angles C4'-P-C4' energy: -5.792
flat angles P-C4'-P energy: 1.254
tors. eta vs tors. theta energy: -2.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -49.228337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.228337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.228337 (E_RNA)
where:
Base-Base interactions energy: -20.866
where: short stacking energy: -20.866
Base-Backbone interact. energy: -0.000
local terms energy: -28.362265
where:
bonds (distance) C4'-P energy: -5.178
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.448
flat angles P-C4'-P energy: -3.570
tors. eta vs tors. theta energy: -8.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -40.436553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.436553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.436553 (E_RNA)
where:
Base-Base interactions energy: -17.892
where: short stacking energy: -17.892
Base-Backbone interact. energy: -0.100
local terms energy: -22.444481
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -5.261
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -39.162693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.162693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.162693 (E_RNA)
where:
Base-Base interactions energy: -15.960
where: short stacking energy: -15.960
Base-Backbone interact. energy: -0.003
local terms energy: -23.199763
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -6.064
flat angles P-C4'-P energy: -4.004
tors. eta vs tors. theta energy: -1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -38.818542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.818542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.818542 (E_RNA)
where:
Base-Base interactions energy: -15.426
where: short stacking energy: -15.426
Base-Backbone interact. energy: -0.003
local terms energy: -23.389874
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -3.968
flat angles P-C4'-P energy: -3.389
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -42.089388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.089388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.089388 (E_RNA)
where:
Base-Base interactions energy: -20.394
where: short stacking energy: -20.394
Base-Backbone interact. energy: -0.002
local terms energy: -21.693823
where:
bonds (distance) C4'-P energy: -2.474
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.287
flat angles P-C4'-P energy: -3.179
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -34.497758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.497758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.497758 (E_RNA)
where:
Base-Base interactions energy: -15.351
where: short stacking energy: -15.351
Base-Backbone interact. energy: -0.119
local terms energy: -19.028639
where:
bonds (distance) C4'-P energy: -3.671
bonds (distance) P-C4' energy: -6.392
flat angles C4'-P-C4' energy: -2.656
flat angles P-C4'-P energy: -3.504
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -38.729283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.729283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.729283 (E_RNA)
where:
Base-Base interactions energy: -16.986
where: short stacking energy: -16.628
Base-Backbone interact. energy: -0.000
local terms energy: -21.742828
where:
bonds (distance) C4'-P energy: -3.974
bonds (distance) P-C4' energy: -4.523
flat angles C4'-P-C4' energy: -4.649
flat angles P-C4'-P energy: -4.227
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -39.814776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.814776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.814776 (E_RNA)
where:
Base-Base interactions energy: -13.494
where: short stacking energy: -13.494
Base-Backbone interact. energy: -0.000
local terms energy: -26.321186
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.666
flat angles P-C4'-P energy: -4.347
tors. eta vs tors. theta energy: -4.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -58.933107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.933107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.933107 (E_RNA)
where:
Base-Base interactions energy: -32.641
where: short stacking energy: -19.348
Base-Backbone interact. energy: -0.003
local terms energy: -26.289542
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.458
flat angles P-C4'-P energy: -4.425
tors. eta vs tors. theta energy: -4.350
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: 2, replica: 5
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -46.158346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.158346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.158346 (E_RNA)
where:
Base-Base interactions energy: -19.730
where: short stacking energy: -19.730
Base-Backbone interact. energy: -0.000
local terms energy: -26.428672
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -4.230
flat angles C4'-P-C4' energy: -5.793
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -5.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -51.183731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.183731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.183731 (E_RNA)
where:
Base-Base interactions energy: -25.977
where: short stacking energy: -25.977
Base-Backbone interact. energy: -0.000
local terms energy: -25.207166
where:
bonds (distance) C4'-P energy: -4.135
bonds (distance) P-C4' energy: -4.847
flat angles C4'-P-C4' energy: -5.336
flat angles P-C4'-P energy: -4.177
tors. eta vs tors. theta energy: -6.713
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: 4, replica: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -38.801660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.801660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.801660 (E_RNA)
where:
Base-Base interactions energy: -13.721
where: short stacking energy: -12.965
Base-Backbone interact. energy: -0.122
local terms energy: -24.959144
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.038
flat angles P-C4'-P energy: -3.874
tors. eta vs tors. theta energy: -3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -36.666844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.666844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.666844 (E_RNA)
where:
Base-Base interactions energy: -13.210
where: short stacking energy: -13.210
Base-Backbone interact. energy: -0.003
local terms energy: -23.454192
where:
bonds (distance) C4'-P energy: -5.517
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.947
flat angles P-C4'-P energy: -3.542
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -35.565767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.565767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.565767 (E_RNA)
where:
Base-Base interactions energy: -15.750
where: short stacking energy: -9.836
Base-Backbone interact. energy: -0.002
local terms energy: -19.813058
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -4.199
flat angles P-C4'-P energy: -2.110
tors. eta vs tors. theta energy: -1.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -35.160726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.160726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.160726 (E_RNA)
where:
Base-Base interactions energy: -14.715
where: short stacking energy: -14.715
Base-Backbone interact. energy: -0.005
local terms energy: -20.440767
where:
bonds (distance) C4'-P energy: -4.532
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -3.767
flat angles P-C4'-P energy: -2.931
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -39.797831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.797831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.797831 (E_RNA)
where:
Base-Base interactions energy: -14.383
where: short stacking energy: -14.383
Base-Backbone interact. energy: -0.014
local terms energy: -25.401525
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.837
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -33.182558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.182558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.182558 (E_RNA)
where:
Base-Base interactions energy: -11.355
where: short stacking energy: -11.355
Base-Backbone interact. energy: -0.000
local terms energy: -21.827332
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -6.283
flat angles P-C4'-P energy: -2.257
tors. eta vs tors. theta energy: -1.625
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: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -30.663502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.663502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.663502 (E_RNA)
where:
Base-Base interactions energy: -9.820
where: short stacking energy: -9.065
Base-Backbone interact. energy: -0.057
local terms energy: -20.786497
where:
bonds (distance) C4'-P energy: -4.098
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -5.427
flat angles P-C4'-P energy: -4.174
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -48.751395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.751395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.751395 (E_RNA)
where:
Base-Base interactions energy: -19.617
where: short stacking energy: -19.617
Base-Backbone interact. energy: -0.000
local terms energy: -29.134193
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.130
flat angles P-C4'-P energy: -4.573
tors. eta vs tors. theta energy: -6.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -52.063102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.063102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.063102 (E_RNA)
where:
Base-Base interactions energy: -25.468
where: short stacking energy: -25.468
Base-Backbone interact. energy: -0.000
local terms energy: -26.594826
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.925
flat angles P-C4'-P energy: -4.230
tors. eta vs tors. theta energy: -5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -40.984672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.984672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.984672 (E_RNA)
where:
Base-Base interactions energy: -17.401
where: short stacking energy: -17.401
Base-Backbone interact. energy: -0.094
local terms energy: -23.489781
where:
bonds (distance) C4'-P energy: -4.388
bonds (distance) P-C4' energy: -6.122
flat angles C4'-P-C4' energy: -5.887
flat angles P-C4'-P energy: -3.131
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -45.641604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.641604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.641604 (E_RNA)
where:
Base-Base interactions energy: -19.161
where: short stacking energy: -19.161
Base-Backbone interact. energy: -0.000
local terms energy: -26.480897
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -6.557
flat angles P-C4'-P energy: -0.896
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -38.564253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.564253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.564253 (E_RNA)
where:
Base-Base interactions energy: -15.467
where: short stacking energy: -15.467
Base-Backbone interact. energy: -0.000
local terms energy: -23.097006
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.006
flat angles P-C4'-P energy: -2.589
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: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -36.838858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.838858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.838858 (E_RNA)
where:
Base-Base interactions energy: -15.370
where: short stacking energy: -15.370
Base-Backbone interact. energy: -0.031
local terms energy: -21.438218
where:
bonds (distance) C4'-P energy: -4.231
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -3.450
flat angles P-C4'-P energy: -5.222
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -34.969523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.969523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.969523 (E_RNA)
where:
Base-Base interactions energy: -13.274
where: short stacking energy: -13.274
Base-Backbone interact. energy: -0.000
local terms energy: -21.695442
where:
bonds (distance) C4'-P energy: -4.044
bonds (distance) P-C4' energy: -2.477
flat angles C4'-P-C4' energy: -6.005
flat angles P-C4'-P energy: -4.710
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -30.394320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.394320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.394320 (E_RNA)
where:
Base-Base interactions energy: -11.268
where: short stacking energy: -11.268
Base-Backbone interact. energy: -0.001
local terms energy: -19.125107
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -2.821
flat angles C4'-P-C4' energy: -4.960
flat angles P-C4'-P energy: -3.429
tors. eta vs tors. theta energy: -2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -31.867766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.867766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.867766 (E_RNA)
where:
Base-Base interactions energy: -12.262
where: short stacking energy: -12.262
Base-Backbone interact. energy: -0.006
local terms energy: -19.599713
where:
bonds (distance) C4'-P energy: -3.311
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -2.993
flat angles P-C4'-P energy: -2.973
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: 10, replica: 3
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -31.969612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.969612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.969612 (E_RNA)
where:
Base-Base interactions energy: -10.303
where: short stacking energy: -10.303
Base-Backbone interact. energy: -0.529
local terms energy: -21.137365
where:
bonds (distance) C4'-P energy: -4.868
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -6.340
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: 0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -43.075608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.075608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.075608 (E_RNA)
where:
Base-Base interactions energy: -18.903
where: short stacking energy: -18.903
Base-Backbone interact. energy: -0.008
local terms energy: -24.164251
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -6.024
flat angles P-C4'-P energy: -3.986
tors. eta vs tors. theta energy: -1.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -50.488180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.488180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.488180 (E_RNA)
where:
Base-Base interactions energy: -22.965
where: short stacking energy: -22.965
Base-Backbone interact. energy: -0.000
local terms energy: -27.523360
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -5.840
flat angles C4'-P-C4' energy: -5.428
flat angles P-C4'-P energy: -4.706
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: 3, replica: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -49.082614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.082614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.082614 (E_RNA)
where:
Base-Base interactions energy: -29.114
where: short stacking energy: -14.454
Base-Backbone interact. energy: -0.100
local terms energy: -19.868838
where:
bonds (distance) C4'-P energy: -3.593
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.107
flat angles P-C4'-P energy: -4.059
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: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -37.862381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.862381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.862381 (E_RNA)
where:
Base-Base interactions energy: -13.999
where: short stacking energy: -13.999
Base-Backbone interact. energy: -0.040
local terms energy: -23.823011
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.864
flat angles C4'-P-C4' energy: -6.695
flat angles P-C4'-P energy: -3.041
tors. eta vs tors. theta energy: -2.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -41.198424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.198424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.198424 (E_RNA)
where:
Base-Base interactions energy: -20.081
where: short stacking energy: -20.081
Base-Backbone interact. energy: -0.004
local terms energy: -21.113278
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -4.293
flat angles C4'-P-C4' energy: -5.956
flat angles P-C4'-P energy: -1.089
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: 6, replica: 1
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -50.164142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.164142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.164142 (E_RNA)
where:
Base-Base interactions energy: -22.594
where: short stacking energy: -22.594
Base-Backbone interact. energy: -0.000
local terms energy: -27.570132
where:
bonds (distance) C4'-P energy: -4.731
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -5.252
flat angles P-C4'-P energy: -4.000
tors. eta vs tors. theta energy: -8.054
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: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -39.075086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.075086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.075086 (E_RNA)
where:
Base-Base interactions energy: -13.727
where: short stacking energy: -13.727
Base-Backbone interact. energy: -0.000
local terms energy: -25.347739
where:
bonds (distance) C4'-P energy: -5.481
bonds (distance) P-C4' energy: -5.864
flat angles C4'-P-C4' energy: -6.376
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -44.609217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.609217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.609217 (E_RNA)
where:
Base-Base interactions energy: -19.232
where: short stacking energy: -19.232
Base-Backbone interact. energy: -0.000
local terms energy: -25.377545
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.442
flat angles C4'-P-C4' energy: -6.082
flat angles P-C4'-P energy: -2.576
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -33.138443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.138443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.138443 (E_RNA)
where:
Base-Base interactions energy: -11.196
where: short stacking energy: -11.196
Base-Backbone interact. energy: -0.000
local terms energy: -21.941982
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -5.576
flat angles C4'-P-C4' energy: -4.311
flat angles P-C4'-P energy: -3.597
tors. eta vs tors. theta energy: -2.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -40.596354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.596354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.596354 (E_RNA)
where:
Base-Base interactions energy: -15.717
where: short stacking energy: -12.474
Base-Backbone interact. energy: -0.000
local terms energy: -24.878989
where:
bonds (distance) C4'-P energy: -4.392
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -4.894
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: 10
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -41.461037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.461037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.461037 (E_RNA)
where:
Base-Base interactions energy: -18.832
where: short stacking energy: -18.832
Base-Backbone interact. energy: -0.001
local terms energy: -22.628624
where:
bonds (distance) C4'-P energy: -5.142
bonds (distance) P-C4' energy: -5.699
flat angles C4'-P-C4' energy: -5.936
flat angles P-C4'-P energy: -3.269
tors. eta vs tors. theta energy: -2.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -46.464717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.464717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.464717 (E_RNA)
where:
Base-Base interactions energy: -19.477
where: short stacking energy: -19.477
Base-Backbone interact. energy: -0.000
local terms energy: -26.987830
where:
bonds (distance) C4'-P energy: -4.913
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -6.070
flat angles P-C4'-P energy: -4.779
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: 3, replica: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -45.257278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.257278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.257278 (E_RNA)
where:
Base-Base interactions energy: -20.107
where: short stacking energy: -20.107
Base-Backbone interact. energy: -0.000
local terms energy: -25.150234
where:
bonds (distance) C4'-P energy: -5.117
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.769
flat angles P-C4'-P energy: -2.196
tors. eta vs tors. theta energy: -5.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -46.973316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.973316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.973316 (E_RNA)
where:
Base-Base interactions energy: -25.152
where: short stacking energy: -12.569
Base-Backbone interact. energy: -0.294
local terms energy: -21.527962
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.650
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: -0.560
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: 1
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -47.759009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.759009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.759009 (E_RNA)
where:
Base-Base interactions energy: -19.470
where: short stacking energy: -19.470
Base-Backbone interact. energy: -0.026
local terms energy: -28.263267
where:
bonds (distance) C4'-P energy: -4.206
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -5.746
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -36.027308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.027308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.027308 (E_RNA)
where:
Base-Base interactions energy: -13.445
where: short stacking energy: -12.596
Base-Backbone interact. energy: -0.009
local terms energy: -22.572493
where:
bonds (distance) C4'-P energy: -5.306
bonds (distance) P-C4' energy: -6.153
flat angles C4'-P-C4' energy: -5.507
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -1.101
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: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -32.801458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.801458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.801458 (E_RNA)
where:
Base-Base interactions energy: -17.568
where: short stacking energy: -17.568
Base-Backbone interact. energy: -0.000
local terms energy: -15.233364
where:
bonds (distance) C4'-P energy: -2.678
bonds (distance) P-C4' energy: -5.103
flat angles C4'-P-C4' energy: -3.807
flat angles P-C4'-P energy: -1.874
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: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -32.897576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.897576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.897576 (E_RNA)
where:
Base-Base interactions energy: -10.358
where: short stacking energy: -10.358
Base-Backbone interact. energy: -0.017
local terms energy: -22.522249
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -4.625
flat angles P-C4'-P energy: -4.158
tors. eta vs tors. theta energy: -1.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -36.283629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.283629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.283629 (E_RNA)
where:
Base-Base interactions energy: -14.257
where: short stacking energy: -14.257
Base-Backbone interact. energy: -0.000
local terms energy: -22.026544
where:
bonds (distance) C4'-P energy: -3.539
bonds (distance) P-C4' energy: -5.763
flat angles C4'-P-C4' energy: -3.837
flat angles P-C4'-P energy: -3.789
tors. eta vs tors. theta energy: -5.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -32.324802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.324802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.324802 (E_RNA)
where:
Base-Base interactions energy: -10.936
where: short stacking energy: -10.936
Base-Backbone interact. energy: -0.090
local terms energy: -21.298915
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -5.491
flat angles C4'-P-C4' energy: -5.505
flat angles P-C4'-P energy: -3.334
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -42.924997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.924997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.924997 (E_RNA)
where:
Base-Base interactions energy: -18.576
where: short stacking energy: -18.576
Base-Backbone interact. energy: -0.005
local terms energy: -24.343701
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.771
flat angles P-C4'-P energy: -3.764
tors. eta vs tors. theta energy: -1.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -42.565202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.565202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.565202 (E_RNA)
where:
Base-Base interactions energy: -25.354
where: short stacking energy: -13.305
Base-Backbone interact. energy: 2.894
local terms energy: -20.104449
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -4.540
flat angles P-C4'-P energy: -0.678
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -43.185906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.185906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.185906 (E_RNA)
where:
Base-Base interactions energy: -17.236
where: short stacking energy: -17.236
Base-Backbone interact. energy: -0.000
local terms energy: -25.949866
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.821
flat angles P-C4'-P energy: -2.407
tors. eta vs tors. theta energy: -5.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -44.522955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.522955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.522955 (E_RNA)
where:
Base-Base interactions energy: -24.953
where: short stacking energy: -16.730
Base-Backbone interact. energy: -0.009
local terms energy: -19.560391
where:
bonds (distance) C4'-P energy: -4.160
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -6.129
flat angles P-C4'-P energy: -0.985
tors. eta vs tors. theta energy: -2.689
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: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -43.602069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.602069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.602069 (E_RNA)
where:
Base-Base interactions energy: -24.761
where: short stacking energy: -12.882
Base-Backbone interact. energy: -0.056
local terms energy: -18.784842
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -5.991
flat angles C4'-P-C4' energy: -5.620
flat angles P-C4'-P energy: -1.331
tors. eta vs tors. theta energy: -0.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -37.654073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.654073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.654073 (E_RNA)
where:
Base-Base interactions energy: -15.172
where: short stacking energy: -15.172
Base-Backbone interact. energy: -0.000
local terms energy: -22.482347
where:
bonds (distance) C4'-P energy: -3.788
bonds (distance) P-C4' energy: -3.886
flat angles C4'-P-C4' energy: -5.616
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: -4.733
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: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -39.509895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.509895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.509895 (E_RNA)
where:
Base-Base interactions energy: -21.695
where: short stacking energy: -10.028
Base-Backbone interact. energy: -0.007
local terms energy: -17.807734
where:
bonds (distance) C4'-P energy: -4.337
bonds (distance) P-C4' energy: -5.671
flat angles C4'-P-C4' energy: -3.348
flat angles P-C4'-P energy: -3.535
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: 8, replica: 3
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -33.705955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.705955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.705955 (E_RNA)
where:
Base-Base interactions energy: -13.054
where: short stacking energy: -13.054
Base-Backbone interact. energy: -0.045
local terms energy: -20.606142
where:
bonds (distance) C4'-P energy: -4.260
bonds (distance) P-C4' energy: -5.497
flat angles C4'-P-C4' energy: -4.861
flat angles P-C4'-P energy: -1.862
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -33.191879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.191879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.191879 (E_RNA)
where:
Base-Base interactions energy: -17.163
where: short stacking energy: -7.808
Base-Backbone interact. energy: -0.001
local terms energy: -16.027494
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -2.890
flat angles P-C4'-P energy: -1.536
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: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -30.363237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.363237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.363237 (E_RNA)
where:
Base-Base interactions energy: -9.141
where: short stacking energy: -9.141
Base-Backbone interact. energy: -0.000
local terms energy: -21.222132
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.496
flat angles P-C4'-P energy: -0.506
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: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -48.306470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.306470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.306470 (E_RNA)
where:
Base-Base interactions energy: -22.700
where: short stacking energy: -22.700
Base-Backbone interact. energy: -0.000
local terms energy: -25.605986
where:
bonds (distance) C4'-P energy: -4.400
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -6.039
flat angles P-C4'-P energy: -3.352
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: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -41.713021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.713021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.713021 (E_RNA)
where:
Base-Base interactions energy: -18.498
where: short stacking energy: -18.498
Base-Backbone interact. energy: -0.000
local terms energy: -23.214591
where:
bonds (distance) C4'-P energy: -3.526
bonds (distance) P-C4' energy: -5.110
flat angles C4'-P-C4' energy: -5.852
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -43.925148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.925148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.925148 (E_RNA)
where:
Base-Base interactions energy: -19.908
where: short stacking energy: -19.220
Base-Backbone interact. energy: -0.002
local terms energy: -24.015025
where:
bonds (distance) C4'-P energy: -4.391
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -5.386
flat angles P-C4'-P energy: -4.180
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: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -51.729198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.729198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.729198 (E_RNA)
where:
Base-Base interactions energy: -28.437
where: short stacking energy: -17.422
Base-Backbone interact. energy: -0.413
local terms energy: -22.879334
where:
bonds (distance) C4'-P energy: -4.810
bonds (distance) P-C4' energy: -5.043
flat angles C4'-P-C4' energy: -5.925
flat angles P-C4'-P energy: -3.268
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: 5, replica: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -43.235263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.235263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.235263 (E_RNA)
where:
Base-Base interactions energy: -23.045
where: short stacking energy: -9.767
Base-Backbone interact. energy: -0.003
local terms energy: -20.187464
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -4.564
flat angles C4'-P-C4' energy: -6.714
flat angles P-C4'-P energy: -2.280
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: 6, replica: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -44.038601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.038601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.038601 (E_RNA)
where:
Base-Base interactions energy: -20.155
where: short stacking energy: -20.155
Base-Backbone interact. energy: -0.000
local terms energy: -23.883231
where:
bonds (distance) C4'-P energy: -5.287
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -4.570
flat angles P-C4'-P energy: -1.494
tors. eta vs tors. theta energy: -5.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -43.774320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.774320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.774320 (E_RNA)
where:
Base-Base interactions energy: -25.572
where: short stacking energy: -14.131
Base-Backbone interact. energy: -0.005
local terms energy: -18.197154
where:
bonds (distance) C4'-P energy: -3.654
bonds (distance) P-C4' energy: -5.578
flat angles C4'-P-C4' energy: -5.905
flat angles P-C4'-P energy: -3.442
tors. eta vs tors. theta energy: 0.383
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: 3
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -36.503844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.503844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.503844 (E_RNA)
where:
Base-Base interactions energy: -14.611
where: short stacking energy: -14.611
Base-Backbone interact. energy: -0.012
local terms energy: -21.881082
where:
bonds (distance) C4'-P energy: -4.913
bonds (distance) P-C4' energy: -5.931
flat angles C4'-P-C4' energy: -4.741
flat angles P-C4'-P energy: -3.810
tors. eta vs tors. theta energy: -2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -34.001838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.001838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.001838 (E_RNA)
where:
Base-Base interactions energy: -13.875
where: short stacking energy: -13.875
Base-Backbone interact. energy: -0.001
local terms energy: -20.126488
where:
bonds (distance) C4'-P energy: -4.346
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.774
flat angles P-C4'-P energy: -0.704
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: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -31.647704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.647704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.647704 (E_RNA)
where:
Base-Base interactions energy: -14.133
where: short stacking energy: -14.133
Base-Backbone interact. energy: -0.001
local terms energy: -17.514369
where:
bonds (distance) C4'-P energy: -1.871
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -5.762
flat angles P-C4'-P energy: -2.783
tors. eta vs tors. theta energy: -2.443
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: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -50.718627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.718627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.718627 (E_RNA)
where:
Base-Base interactions energy: -25.656
where: short stacking energy: -25.656
Base-Backbone interact. energy: -0.000
local terms energy: -25.062148
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -4.420
flat angles C4'-P-C4' energy: -4.678
flat angles P-C4'-P energy: -3.753
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: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -40.947730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.947730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.947730 (E_RNA)
where:
Base-Base interactions energy: -16.985
where: short stacking energy: -16.985
Base-Backbone interact. energy: -0.000
local terms energy: -23.962464
where:
bonds (distance) C4'-P energy: -3.468
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -5.237
flat angles P-C4'-P energy: -3.191
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: 3, replica: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -47.264065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.264065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.264065 (E_RNA)
where:
Base-Base interactions energy: -23.333
where: short stacking energy: -23.333
Base-Backbone interact. energy: -0.001
local terms energy: -23.930958
where:
bonds (distance) C4'-P energy: -4.570
bonds (distance) P-C4' energy: -4.917
flat angles C4'-P-C4' energy: -4.732
flat angles P-C4'-P energy: -2.248
tors. eta vs tors. theta energy: -7.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -42.760839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.760839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.760839 (E_RNA)
where:
Base-Base interactions energy: -16.305
where: short stacking energy: -16.305
Base-Backbone interact. energy: -0.030
local terms energy: -26.425950
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -4.455
flat angles P-C4'-P energy: -4.872
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -46.288421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.288421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.288421 (E_RNA)
where:
Base-Base interactions energy: -21.459
where: short stacking energy: -21.459
Base-Backbone interact. energy: -0.112
local terms energy: -24.717445
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -4.402
flat angles C4'-P-C4' energy: -5.475
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -4.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -38.993911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.993911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.993911 (E_RNA)
where:
Base-Base interactions energy: -16.488
where: short stacking energy: -16.488
Base-Backbone interact. energy: -0.003
local terms energy: -22.502674
where:
bonds (distance) C4'-P energy: -4.169
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -5.286
flat angles P-C4'-P energy: -4.281
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -33.890818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.890818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.890818 (E_RNA)
where:
Base-Base interactions energy: -12.663
where: short stacking energy: -12.663
Base-Backbone interact. energy: -0.005
local terms energy: -21.223376
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.413
flat angles P-C4'-P energy: -1.792
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: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -45.243369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.243369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.243369 (E_RNA)
where:
Base-Base interactions energy: -18.126
where: short stacking energy: -18.126
Base-Backbone interact. energy: -0.000
local terms energy: -27.117689
where:
bonds (distance) C4'-P energy: -5.004
bonds (distance) P-C4' energy: -5.594
flat angles C4'-P-C4' energy: -6.519
flat angles P-C4'-P energy: -4.614
tors. eta vs tors. theta energy: -5.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -28.785224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.785224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.785224 (E_RNA)
where:
Base-Base interactions energy: -7.437
where: short stacking energy: -7.437
Base-Backbone interact. energy: -0.012
local terms energy: -21.336089
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.869
flat angles P-C4'-P energy: -5.040
tors. eta vs tors. theta energy: 0.082
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: 145
Temperature: 1.350000
Total energy: -32.496209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.496209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.496209 (E_RNA)
where:
Base-Base interactions energy: -12.027
where: short stacking energy: -12.027
Base-Backbone interact. energy: 0.112
local terms energy: -20.581484
where:
bonds (distance) C4'-P energy: -5.042
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -6.220
flat angles P-C4'-P energy: -2.847
tors. eta vs tors. theta energy: -0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -44.546510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.546510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.546510 (E_RNA)
where:
Base-Base interactions energy: -20.564
where: short stacking energy: -15.958
Base-Backbone interact. energy: -0.003
local terms energy: -23.979258
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.391
flat angles P-C4'-P energy: -3.847
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -43.332803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.332803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.332803 (E_RNA)
where:
Base-Base interactions energy: -17.225
where: short stacking energy: -17.225
Base-Backbone interact. energy: -0.000
local terms energy: -26.107817
where:
bonds (distance) C4'-P energy: -3.415
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.625
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: -4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -37.959028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.959028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.959028 (E_RNA)
where:
Base-Base interactions energy: -16.323
where: short stacking energy: -16.323
Base-Backbone interact. energy: -0.002
local terms energy: -21.634504
where:
bonds (distance) C4'-P energy: -5.982
bonds (distance) P-C4' energy: -5.767
flat angles C4'-P-C4' energy: -5.466
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: -0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -46.045163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.045163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.045163 (E_RNA)
where:
Base-Base interactions energy: -17.813
where: short stacking energy: -17.813
Base-Backbone interact. energy: -0.000
local terms energy: -28.231630
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -5.691
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -5.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -38.129498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.129498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.129498 (E_RNA)
where:
Base-Base interactions energy: -14.345
where: short stacking energy: -14.345
Base-Backbone interact. energy: -0.002
local terms energy: -23.782858
where:
bonds (distance) C4'-P energy: -3.096
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.588
flat angles P-C4'-P energy: -4.418
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -35.183747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.183747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.183747 (E_RNA)
where:
Base-Base interactions energy: -14.369
where: short stacking energy: -14.369
Base-Backbone interact. energy: -0.029
local terms energy: -20.784858
where:
bonds (distance) C4'-P energy: -5.651
bonds (distance) P-C4' energy: -5.767
flat angles C4'-P-C4' energy: -6.583
flat angles P-C4'-P energy: -2.998
tors. eta vs tors. theta energy: 0.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -39.542303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.542303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.542303 (E_RNA)
where:
Base-Base interactions energy: -16.765
where: short stacking energy: -16.765
Base-Backbone interact. energy: -0.000
local terms energy: -22.777095
where:
bonds (distance) C4'-P energy: -5.099
bonds (distance) P-C4' energy: -3.607
flat angles C4'-P-C4' energy: -4.653
flat angles P-C4'-P energy: -4.971
tors. eta vs tors. theta energy: -4.447
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: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -32.826439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.826439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.826439 (E_RNA)
where:
Base-Base interactions energy: -14.155
where: short stacking energy: -14.155
Base-Backbone interact. energy: -0.000
local terms energy: -18.671282
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -6.914
flat angles C4'-P-C4' energy: -1.354
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: -1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -36.772517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.772517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.772517 (E_RNA)
where:
Base-Base interactions energy: -17.090
where: short stacking energy: -17.090
Base-Backbone interact. energy: -0.006
local terms energy: -19.676644
where:
bonds (distance) C4'-P energy: -2.376
bonds (distance) P-C4' energy: -5.065
flat angles C4'-P-C4' energy: -5.667
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: -3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -28.395302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.395302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.395302 (E_RNA)
where:
Base-Base interactions energy: -8.893
where: short stacking energy: -8.893
Base-Backbone interact. energy: -0.103
local terms energy: -19.398808
where:
bonds (distance) C4'-P energy: -4.835
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -6.216
flat angles P-C4'-P energy: -3.244
tors. eta vs tors. theta energy: 1.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -47.225588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.225588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.225588 (E_RNA)
where:
Base-Base interactions energy: -20.289
where: short stacking energy: -20.289
Base-Backbone interact. energy: -0.000
local terms energy: -26.936440
where:
bonds (distance) C4'-P energy: -4.619
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.620
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -5.957
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: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -45.259443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.259443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.259443 (E_RNA)
where:
Base-Base interactions energy: -19.216
where: short stacking energy: -19.216
Base-Backbone interact. energy: -0.000
local terms energy: -26.043634
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -5.096
flat angles P-C4'-P energy: -2.880
tors. eta vs tors. theta energy: -6.173
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: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -41.341587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.341587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.341587 (E_RNA)
where:
Base-Base interactions energy: -15.409
where: short stacking energy: -15.409
Base-Backbone interact. energy: -0.000
local terms energy: -25.931838
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -4.739
flat angles P-C4'-P energy: -4.209
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: 4, replica: 7
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -41.083014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.083014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.083014 (E_RNA)
where:
Base-Base interactions energy: -15.903
where: short stacking energy: -15.903
Base-Backbone interact. energy: -0.000
local terms energy: -25.179925
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.567
flat angles P-C4'-P energy: -3.015
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -39.407058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.407058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.407058 (E_RNA)
where:
Base-Base interactions energy: -16.441
where: short stacking energy: -16.441
Base-Backbone interact. energy: -0.000
local terms energy: -22.966034
where:
bonds (distance) C4'-P energy: -5.063
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -2.515
flat angles P-C4'-P energy: -4.189
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -41.341534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.341534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.341534 (E_RNA)
where:
Base-Base interactions energy: -17.743
where: short stacking energy: -17.743
Base-Backbone interact. energy: 0.060
local terms energy: -23.658738
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.699
flat angles C4'-P-C4' energy: -6.763
flat angles P-C4'-P energy: -3.094
tors. eta vs tors. theta energy: -2.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -35.783336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.783336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.783336 (E_RNA)
where:
Base-Base interactions energy: -11.192
where: short stacking energy: -11.192
Base-Backbone interact. energy: -0.008
local terms energy: -24.583442
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.798
flat angles P-C4'-P energy: -3.229
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: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -30.680883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.680883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.680883 (E_RNA)
where:
Base-Base interactions energy: -10.700
where: short stacking energy: -10.700
Base-Backbone interact. energy: -0.080
local terms energy: -19.901417
where:
bonds (distance) C4'-P energy: -5.295
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.076
flat angles P-C4'-P energy: -3.200
tors. eta vs tors. theta energy: -0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -31.234812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.234812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.234812 (E_RNA)
where:
Base-Base interactions energy: -12.285
where: short stacking energy: -12.285
Base-Backbone interact. energy: -0.152
local terms energy: -18.797722
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -5.048
flat angles C4'-P-C4' energy: -4.297
flat angles P-C4'-P energy: -2.946
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: 10, replica: 3
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -31.225172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.225172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.225172 (E_RNA)
where:
Base-Base interactions energy: -10.537
where: short stacking energy: -10.537
Base-Backbone interact. energy: -0.000
local terms energy: -20.687782
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -4.567
flat angles C4'-P-C4' energy: -4.473
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -0.656
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: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -52.688317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.688317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.688317 (E_RNA)
where:
Base-Base interactions energy: -25.019
where: short stacking energy: -25.019
Base-Backbone interact. energy: -0.000
local terms energy: -27.668849
where:
bonds (distance) C4'-P energy: -6.276
bonds (distance) P-C4' energy: -4.269
flat angles C4'-P-C4' energy: -6.078
flat angles P-C4'-P energy: -3.796
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -46.296274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.296274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.296274 (E_RNA)
where:
Base-Base interactions energy: -20.789
where: short stacking energy: -20.789
Base-Backbone interact. energy: -0.000
local terms energy: -25.506989
where:
bonds (distance) C4'-P energy: -4.682
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -5.228
flat angles P-C4'-P energy: -2.786
tors. eta vs tors. theta energy: -6.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -44.395931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.395931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.395931 (E_RNA)
where:
Base-Base interactions energy: -19.493
where: short stacking energy: -12.418
Base-Backbone interact. energy: -0.978
local terms energy: -23.925045
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -5.109
flat angles P-C4'-P energy: -4.801
tors. eta vs tors. theta energy: -1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -44.974058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.974058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.974058 (E_RNA)
where:
Base-Base interactions energy: -24.141
where: short stacking energy: -19.067
Base-Backbone interact. energy: -0.000
local terms energy: -20.832759
where:
bonds (distance) C4'-P energy: -3.353
bonds (distance) P-C4' energy: -5.868
flat angles C4'-P-C4' energy: -4.378
flat angles P-C4'-P energy: -2.448
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: 5, replica: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -37.332091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.332091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.332091 (E_RNA)
where:
Base-Base interactions energy: -14.940
where: short stacking energy: -14.940
Base-Backbone interact. energy: -0.000
local terms energy: -22.392430
where:
bonds (distance) C4'-P energy: -4.719
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -6.213
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -36.617915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.617915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.617915 (E_RNA)
where:
Base-Base interactions energy: -17.045
where: short stacking energy: -8.358
Base-Backbone interact. energy: -0.606
local terms energy: -18.967117
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -4.476
flat angles C4'-P-C4' energy: -3.730
flat angles P-C4'-P energy: -1.023
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: 7, replica: 9
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -39.616764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.616764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.616764 (E_RNA)
where:
Base-Base interactions energy: -15.749
where: short stacking energy: -9.921
Base-Backbone interact. energy: -0.015
local terms energy: -23.852744
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.040
flat angles P-C4'-P energy: -4.827
tors. eta vs tors. theta energy: -0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -31.058993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.058993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.058993 (E_RNA)
where:
Base-Base interactions energy: -16.395
where: short stacking energy: -12.379
Base-Backbone interact. energy: -0.008
local terms energy: -14.656261
where:
bonds (distance) C4'-P energy: -3.787
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -3.173
flat angles P-C4'-P energy: -1.285
tors. eta vs tors. theta energy: 0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -36.259994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.259994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.259994 (E_RNA)
where:
Base-Base interactions energy: -15.083
where: short stacking energy: -15.083
Base-Backbone interact. energy: -0.000
local terms energy: -21.177025
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -2.126
flat angles P-C4'-P energy: -3.547
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: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -29.858515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.858515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.858515 (E_RNA)
where:
Base-Base interactions energy: -9.865
where: short stacking energy: -9.865
Base-Backbone interact. energy: -0.009
local terms energy: -19.984570
where:
bonds (distance) C4'-P energy: -3.555
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -3.747
flat angles P-C4'-P energy: -4.567
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -56.310474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.310474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.310474 (E_RNA)
where:
Base-Base interactions energy: -25.673
where: short stacking energy: -25.673
Base-Backbone interact. energy: -0.000
local terms energy: -30.637302
where:
bonds (distance) C4'-P energy: -5.688
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.342
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -7.457
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: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -47.622918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.622918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.622918 (E_RNA)
where:
Base-Base interactions energy: -20.845
where: short stacking energy: -14.918
Base-Backbone interact. energy: -0.000
local terms energy: -26.777576
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -6.475
flat angles P-C4'-P energy: -2.989
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -43.159551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.159551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.159551 (E_RNA)
where:
Base-Base interactions energy: -17.836
where: short stacking energy: -17.836
Base-Backbone interact. energy: -0.000
local terms energy: -25.323442
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.273
flat angles P-C4'-P energy: -4.410
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -42.324027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.324027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.324027 (E_RNA)
where:
Base-Base interactions energy: -16.448
where: short stacking energy: -16.448
Base-Backbone interact. energy: -0.000
local terms energy: -25.875931
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.888
flat angles P-C4'-P energy: -1.733
tors. eta vs tors. theta energy: -6.863
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: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -40.620617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.620617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.620617 (E_RNA)
where:
Base-Base interactions energy: -16.756
where: short stacking energy: -16.756
Base-Backbone interact. energy: -0.000
local terms energy: -23.864227
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -4.793
flat angles C4'-P-C4' energy: -2.624
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -35.746483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.746483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.746483 (E_RNA)
where:
Base-Base interactions energy: -12.732
where: short stacking energy: -12.732
Base-Backbone interact. energy: -0.010
local terms energy: -23.003730
where:
bonds (distance) C4'-P energy: -4.292
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -3.271
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -46.176119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.176119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.176119 (E_RNA)
where:
Base-Base interactions energy: -25.714
where: short stacking energy: -16.392
Base-Backbone interact. energy: -1.535
local terms energy: -18.927239
where:
bonds (distance) C4'-P energy: -3.387
bonds (distance) P-C4' energy: -4.782
flat angles C4'-P-C4' energy: -5.463
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: -1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -34.311025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.311025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.311025 (E_RNA)
where:
Base-Base interactions energy: -12.920
where: short stacking energy: -12.499
Base-Backbone interact. energy: -0.000
local terms energy: -21.391088
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -4.258
flat angles P-C4'-P energy: -3.670
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: 9, replica: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -34.557341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.557341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.557341 (E_RNA)
where:
Base-Base interactions energy: -14.359
where: short stacking energy: -14.359
Base-Backbone interact. energy: -0.001
local terms energy: -20.196898
where:
bonds (distance) C4'-P energy: -4.859
bonds (distance) P-C4' energy: -5.767
flat angles C4'-P-C4' energy: -4.671
flat angles P-C4'-P energy: -3.047
tors. eta vs tors. theta energy: -1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -35.968829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.968829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.968829 (E_RNA)
where:
Base-Base interactions energy: -15.932
where: short stacking energy: -15.932
Base-Backbone interact. energy: -0.004
local terms energy: -20.033241
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -6.392
flat angles C4'-P-C4' energy: -3.481
flat angles P-C4'-P energy: -2.548
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: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -53.957891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.957891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.957891 (E_RNA)
where:
Base-Base interactions energy: -21.944
where: short stacking energy: -21.944
Base-Backbone interact. energy: -0.000
local terms energy: -32.013824
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.964
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -7.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -50.728790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.728790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.728790 (E_RNA)
where:
Base-Base interactions energy: -24.033
where: short stacking energy: -24.033
Base-Backbone interact. energy: -0.000
local terms energy: -26.695885
where:
bonds (distance) C4'-P energy: -4.135
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -3.294
flat angles P-C4'-P energy: -4.107
tors. eta vs tors. theta energy: -8.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -41.368419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.368419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.368419 (E_RNA)
where:
Base-Base interactions energy: -17.468
where: short stacking energy: -17.468
Base-Backbone interact. energy: -0.000
local terms energy: -23.900849
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.093
flat angles P-C4'-P energy: -2.389
tors. eta vs tors. theta energy: -4.194
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: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -46.212130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.212130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.212130 (E_RNA)
where:
Base-Base interactions energy: -22.219
where: short stacking energy: -11.840
Base-Backbone interact. energy: -0.001
local terms energy: -23.992523
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.741
flat angles P-C4'-P energy: -3.566
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -38.647858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.647858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.647858 (E_RNA)
where:
Base-Base interactions energy: -16.576
where: short stacking energy: -16.576
Base-Backbone interact. energy: -0.011
local terms energy: -22.061639
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -3.798
flat angles P-C4'-P energy: -2.470
tors. eta vs tors. theta energy: -3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -40.175550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.175550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.175550 (E_RNA)
where:
Base-Base interactions energy: -14.193
where: short stacking energy: -14.193
Base-Backbone interact. energy: -0.008
local terms energy: -25.974116
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -6.439
flat angles P-C4'-P energy: -4.602
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: 7, replica: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -38.967899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.967899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.967899 (E_RNA)
where:
Base-Base interactions energy: -14.936
where: short stacking energy: -14.936
Base-Backbone interact. energy: -0.015
local terms energy: -24.016590
where:
bonds (distance) C4'-P energy: -4.252
bonds (distance) P-C4' energy: -5.301
flat angles C4'-P-C4' energy: -6.221
flat angles P-C4'-P energy: -4.741
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: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -36.338025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.338025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.338025 (E_RNA)
where:
Base-Base interactions energy: -15.088
where: short stacking energy: -15.088
Base-Backbone interact. energy: -0.000
local terms energy: -21.249514
where:
bonds (distance) C4'-P energy: -2.118
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.532
flat angles P-C4'-P energy: -2.015
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -32.991391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.991391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.991391 (E_RNA)
where:
Base-Base interactions energy: -13.569
where: short stacking energy: -12.038
Base-Backbone interact. energy: -0.004
local terms energy: -19.418531
where:
bonds (distance) C4'-P energy: -4.690
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -5.304
flat angles P-C4'-P energy: -2.171
tors. eta vs tors. theta energy: -0.797
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: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -40.637972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.637972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.637972 (E_RNA)
where:
Base-Base interactions energy: -16.842
where: short stacking energy: -13.414
Base-Backbone interact. energy: -0.000
local terms energy: -23.795454
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -4.463
flat angles C4'-P-C4' energy: -4.874
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -44.613996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.613996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.613996 (E_RNA)
where:
Base-Base interactions energy: -19.675
where: short stacking energy: -19.675
Base-Backbone interact. energy: -0.002
local terms energy: -24.936810
where:
bonds (distance) C4'-P energy: -5.543
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.082
flat angles P-C4'-P energy: -3.725
tors. eta vs tors. theta energy: -2.940
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: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -44.051224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.051224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.051224 (E_RNA)
where:
Base-Base interactions energy: -22.435
where: short stacking energy: -22.435
Base-Backbone interact. energy: -0.000
local terms energy: -21.615838
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -5.570
flat angles P-C4'-P energy: -2.687
tors. eta vs tors. theta energy: -2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -52.778108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.778108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.778108 (E_RNA)
where:
Base-Base interactions energy: -29.155
where: short stacking energy: -17.890
Base-Backbone interact. energy: -0.399
local terms energy: -23.224681
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.651
flat angles P-C4'-P energy: -2.422
tors. eta vs tors. theta energy: -4.289
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: 9
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -43.428630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.428630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.428630 (E_RNA)
where:
Base-Base interactions energy: -17.939
where: short stacking energy: -17.939
Base-Backbone interact. energy: -0.000
local terms energy: -25.489776
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.337
flat angles P-C4'-P energy: -4.361
tors. eta vs tors. theta energy: -3.791
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: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -41.387264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.387264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.387264 (E_RNA)
where:
Base-Base interactions energy: -15.499
where: short stacking energy: -15.499
Base-Backbone interact. energy: -0.001
local terms energy: -25.887304
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -6.240
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -3.834
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: 6, replica: 3
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -37.373411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.373411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.373411 (E_RNA)
where:
Base-Base interactions energy: -14.723
where: short stacking energy: -8.393
Base-Backbone interact. energy: -0.088
local terms energy: -22.562750
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -5.119
flat angles P-C4'-P energy: -3.842
tors. eta vs tors. theta energy: -0.751
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: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -38.839539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.839539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.839539 (E_RNA)
where:
Base-Base interactions energy: -18.736
where: short stacking energy: -18.736
Base-Backbone interact. energy: -0.016
local terms energy: -20.087725
where:
bonds (distance) C4'-P energy: -2.048
bonds (distance) P-C4' energy: -5.516
flat angles C4'-P-C4' energy: -5.082
flat angles P-C4'-P energy: -3.304
tors. eta vs tors. theta energy: -4.138
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: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -33.911963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.911963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.911963 (E_RNA)
where:
Base-Base interactions energy: -12.934
where: short stacking energy: -12.934
Base-Backbone interact. energy: -0.001
local terms energy: -20.977436
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -2.666
flat angles P-C4'-P energy: -1.752
tors. eta vs tors. theta energy: -5.247
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: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -35.070863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.070863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.070863 (E_RNA)
where:
Base-Base interactions energy: -13.999
where: short stacking energy: -10.420
Base-Backbone interact. energy: -0.018
local terms energy: -21.053828
where:
bonds (distance) C4'-P energy: -3.087
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -5.086
flat angles P-C4'-P energy: -4.269
tors. eta vs tors. theta energy: -3.729
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: 10, replica: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -36.279105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.279105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.279105 (E_RNA)
where:
Base-Base interactions energy: -13.538
where: short stacking energy: -5.961
Base-Backbone interact. energy: -0.106
local terms energy: -22.634496
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.941
flat angles P-C4'-P energy: -3.012
tors. eta vs tors. theta energy: -1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -54.057371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.057371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.057371 (E_RNA)
where:
Base-Base interactions energy: -31.659
where: short stacking energy: -18.225
Base-Backbone interact. energy: -0.001
local terms energy: -22.397008
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -5.462
flat angles P-C4'-P energy: -3.151
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -48.433290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.433290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.433290 (E_RNA)
where:
Base-Base interactions energy: -20.631
where: short stacking energy: -20.631
Base-Backbone interact. energy: -0.000
local terms energy: -27.802352
where:
bonds (distance) C4'-P energy: -5.783
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -6.525
flat angles P-C4'-P energy: -4.793
tors. eta vs tors. theta energy: -4.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -43.600175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.600175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.600175 (E_RNA)
where:
Base-Base interactions energy: -19.837
where: short stacking energy: -19.837
Base-Backbone interact. energy: -0.000
local terms energy: -23.763113
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -5.648
flat angles P-C4'-P energy: -1.433
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -42.243366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.243366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.243366 (E_RNA)
where:
Base-Base interactions energy: -16.807
where: short stacking energy: -16.807
Base-Backbone interact. energy: -0.000
local terms energy: -25.435773
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -4.938
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -4.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -35.634760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.634760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.634760 (E_RNA)
where:
Base-Base interactions energy: -13.824
where: short stacking energy: -13.824
Base-Backbone interact. energy: -0.011
local terms energy: -21.799390
where:
bonds (distance) C4'-P energy: -4.631
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.449
flat angles P-C4'-P energy: -3.619
tors. eta vs tors. theta energy: -1.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -39.335950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.335950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.335950 (E_RNA)
where:
Base-Base interactions energy: -14.087
where: short stacking energy: -14.087
Base-Backbone interact. energy: -0.000
local terms energy: -25.249167
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -5.718
flat angles P-C4'-P energy: -3.397
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -39.945096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.945096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.945096 (E_RNA)
where:
Base-Base interactions energy: -13.839
where: short stacking energy: -13.839
Base-Backbone interact. energy: -0.000
local terms energy: -26.105933
where:
bonds (distance) C4'-P energy: -2.989
bonds (distance) P-C4' energy: -6.351
flat angles C4'-P-C4' energy: -6.027
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: -5.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -41.003394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.003394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.003394 (E_RNA)
where:
Base-Base interactions energy: -15.468
where: short stacking energy: -15.468
Base-Backbone interact. energy: -0.000
local terms energy: -25.534982
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -4.202
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -3.843
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: 152
Temperature: 1.300000
Total energy: -32.827901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.827901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.827901 (E_RNA)
where:
Base-Base interactions energy: -12.718
where: short stacking energy: -12.718
Base-Backbone interact. energy: -0.043
local terms energy: -20.066763
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -2.582
flat angles C4'-P-C4' energy: -6.523
flat angles P-C4'-P energy: -3.965
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: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -37.162667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.162667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.162667 (E_RNA)
where:
Base-Base interactions energy: -13.145
where: short stacking energy: -13.145
Base-Backbone interact. energy: -0.001
local terms energy: -24.017130
where:
bonds (distance) C4'-P energy: -4.242
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -5.812
flat angles P-C4'-P energy: -5.066
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: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -50.508481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.508481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.508481 (E_RNA)
where:
Base-Base interactions energy: -22.925
where: short stacking energy: -22.925
Base-Backbone interact. energy: -0.000
local terms energy: -27.583325
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -6.067
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -51.197939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.197939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.197939 (E_RNA)
where:
Base-Base interactions energy: -23.622
where: short stacking energy: -23.622
Base-Backbone interact. energy: -0.000
local terms energy: -27.575704
where:
bonds (distance) C4'-P energy: -4.794
bonds (distance) P-C4' energy: -6.156
flat angles C4'-P-C4' energy: -5.962
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -49.039477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.039477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.039477 (E_RNA)
where:
Base-Base interactions energy: -20.695
where: short stacking energy: -20.695
Base-Backbone interact. energy: -0.000
local terms energy: -28.344153
where:
bonds (distance) C4'-P energy: -4.541
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -5.586
flat angles P-C4'-P energy: -5.081
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -43.481092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.481092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.481092 (E_RNA)
where:
Base-Base interactions energy: -17.324
where: short stacking energy: -17.324
Base-Backbone interact. energy: -0.000
local terms energy: -26.157102
where:
bonds (distance) C4'-P energy: -4.665
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.376
flat angles P-C4'-P energy: -5.160
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -39.787476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.787476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.787476 (E_RNA)
where:
Base-Base interactions energy: -18.831
where: short stacking energy: -18.831
Base-Backbone interact. energy: -0.064
local terms energy: -20.892331
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -2.899
flat angles P-C4'-P energy: -3.658
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: 6, replica: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -41.412524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.412524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.412524 (E_RNA)
where:
Base-Base interactions energy: -17.143
where: short stacking energy: -17.143
Base-Backbone interact. energy: -0.000
local terms energy: -24.269151
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -5.760
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: -2.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -42.347712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.347712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.347712 (E_RNA)
where:
Base-Base interactions energy: -18.137
where: short stacking energy: -18.137
Base-Backbone interact. energy: -0.000
local terms energy: -24.210797
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -5.506
flat angles C4'-P-C4' energy: -5.372
flat angles P-C4'-P energy: -2.730
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: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -36.437700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.437700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.437700 (E_RNA)
where:
Base-Base interactions energy: -14.944
where: short stacking energy: -14.944
Base-Backbone interact. energy: -0.005
local terms energy: -21.489263
where:
bonds (distance) C4'-P energy: -5.650
bonds (distance) P-C4' energy: -3.352
flat angles C4'-P-C4' energy: -5.350
flat angles P-C4'-P energy: -2.443
tors. eta vs tors. theta energy: -4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -35.802772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.802772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.802772 (E_RNA)
where:
Base-Base interactions energy: -15.697
where: short stacking energy: -15.697
Base-Backbone interact. energy: -0.003
local terms energy: -20.102989
where:
bonds (distance) C4'-P energy: -4.222
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -4.487
flat angles P-C4'-P energy: -1.438
tors. eta vs tors. theta energy: -4.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -28.734814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.734814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.734814 (E_RNA)
where:
Base-Base interactions energy: -9.477
where: short stacking energy: -9.477
Base-Backbone interact. energy: 0.607
local terms energy: -19.865217
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -4.331
flat angles C4'-P-C4' energy: -5.681
flat angles P-C4'-P energy: -3.007
tors. eta vs tors. theta energy: -0.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -54.953684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.953684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.953684 (E_RNA)
where:
Base-Base interactions energy: -25.721
where: short stacking energy: -25.721
Base-Backbone interact. energy: -0.000
local terms energy: -29.232752
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.304
flat angles C4'-P-C4' energy: -6.259
flat angles P-C4'-P energy: -3.971
tors. eta vs tors. theta energy: -7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -43.544433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.544433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.544433 (E_RNA)
where:
Base-Base interactions energy: -18.416
where: short stacking energy: -18.416
Base-Backbone interact. energy: -0.002
local terms energy: -25.125821
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -5.371
flat angles C4'-P-C4' energy: -6.730
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -38.060518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.060518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.060518 (E_RNA)
where:
Base-Base interactions energy: -15.048
where: short stacking energy: -15.048
Base-Backbone interact. energy: -0.001
local terms energy: -23.011230
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.764
flat angles P-C4'-P energy: -3.072
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: 4, replica: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -42.890222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.890222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.890222 (E_RNA)
where:
Base-Base interactions energy: -17.636
where: short stacking energy: -17.636
Base-Backbone interact. energy: -0.000
local terms energy: -25.254221
where:
bonds (distance) C4'-P energy: -4.639
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -6.416
flat angles P-C4'-P energy: -2.958
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -41.910639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.910639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.910639 (E_RNA)
where:
Base-Base interactions energy: -16.886
where: short stacking energy: -16.886
Base-Backbone interact. energy: -0.000
local terms energy: -25.023913
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.306
flat angles P-C4'-P energy: -2.244
tors. eta vs tors. theta energy: -6.355
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: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -39.200366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.200366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.200366 (E_RNA)
where:
Base-Base interactions energy: -16.391
where: short stacking energy: -16.391
Base-Backbone interact. energy: -0.000
local terms energy: -22.809765
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -3.956
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: -3.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -41.150642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.150642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.150642 (E_RNA)
where:
Base-Base interactions energy: -15.273
where: short stacking energy: -15.273
Base-Backbone interact. energy: -0.000
local terms energy: -25.877749
where:
bonds (distance) C4'-P energy: -4.747
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -6.128
flat angles P-C4'-P energy: -3.431
tors. eta vs tors. theta energy: -4.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -33.267320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.267320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.267320 (E_RNA)
where:
Base-Base interactions energy: -12.653
where: short stacking energy: -12.653
Base-Backbone interact. energy: -0.000
local terms energy: -20.613988
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -3.788
flat angles P-C4'-P energy: -3.782
tors. eta vs tors. theta energy: -2.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -34.304350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.304350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.304350 (E_RNA)
where:
Base-Base interactions energy: -11.603
where: short stacking energy: -11.603
Base-Backbone interact. energy: -0.000
local terms energy: -22.701094
where:
bonds (distance) C4'-P energy: -5.278
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -3.738
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -1.635
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: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -35.005563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.005563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.005563 (E_RNA)
where:
Base-Base interactions energy: -12.156
where: short stacking energy: -12.156
Base-Backbone interact. energy: -0.019
local terms energy: -22.830797
where:
bonds (distance) C4'-P energy: -3.406
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -6.005
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -51.534975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.534975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.534975 (E_RNA)
where:
Base-Base interactions energy: -22.711
where: short stacking energy: -22.711
Base-Backbone interact. energy: -0.000
local terms energy: -28.823897
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.086
flat angles P-C4'-P energy: -5.341
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: 2, replica: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -39.920077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.920077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.920077 (E_RNA)
where:
Base-Base interactions energy: -15.725
where: short stacking energy: -15.725
Base-Backbone interact. energy: -0.000
local terms energy: -24.195458
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.908
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -4.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -47.994918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.994918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.994918 (E_RNA)
where:
Base-Base interactions energy: -25.195
where: short stacking energy: -9.054
Base-Backbone interact. energy: -0.109
local terms energy: -22.691593
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -5.636
flat angles P-C4'-P energy: -0.968
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -41.067589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.067589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.067589 (E_RNA)
where:
Base-Base interactions energy: -18.141
where: short stacking energy: -18.141
Base-Backbone interact. energy: -0.006
local terms energy: -22.920915
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -5.420
flat angles C4'-P-C4' energy: -5.130
flat angles P-C4'-P energy: -4.328
tors. eta vs tors. theta energy: -3.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -46.716799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.716799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.716799 (E_RNA)
where:
Base-Base interactions energy: -21.267
where: short stacking energy: -21.267
Base-Backbone interact. energy: -0.000
local terms energy: -25.449261
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -5.423
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -36.185194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.185194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.185194 (E_RNA)
where:
Base-Base interactions energy: -16.122
where: short stacking energy: -16.122
Base-Backbone interact. energy: -0.003
local terms energy: -20.060615
where:
bonds (distance) C4'-P energy: -3.012
bonds (distance) P-C4' energy: -4.920
flat angles C4'-P-C4' energy: -6.004
flat angles P-C4'-P energy: -0.714
tors. eta vs tors. theta energy: -5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -40.226769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.226769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.226769 (E_RNA)
where:
Base-Base interactions energy: -15.949
where: short stacking energy: -15.949
Base-Backbone interact. energy: 1.143
local terms energy: -25.421308
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.876
flat angles P-C4'-P energy: -3.870
tors. eta vs tors. theta energy: -4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -29.837611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.837611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.837611 (E_RNA)
where:
Base-Base interactions energy: -10.559
where: short stacking energy: -7.796
Base-Backbone interact. energy: -0.009
local terms energy: -19.270348
where:
bonds (distance) C4'-P energy: -2.934
bonds (distance) P-C4' energy: -5.423
flat angles C4'-P-C4' energy: -4.936
flat angles P-C4'-P energy: -3.921
tors. eta vs tors. theta energy: -2.056
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: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -33.676529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.676529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.676529 (E_RNA)
where:
Base-Base interactions energy: -22.105
where: short stacking energy: -9.251
Base-Backbone interact. energy: -0.100
local terms energy: -11.471352
where:
bonds (distance) C4'-P energy: -4.400
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.320
flat angles P-C4'-P energy: 2.033
tors. eta vs tors. theta energy: 2.412
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: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -37.857861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.857861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.857861 (E_RNA)
where:
Base-Base interactions energy: -16.733
where: short stacking energy: -12.345
Base-Backbone interact. energy: -0.004
local terms energy: -21.121180
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -3.738
flat angles C4'-P-C4' energy: -4.255
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: -2.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -46.824218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.824218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.824218 (E_RNA)
where:
Base-Base interactions energy: -18.303
where: short stacking energy: -18.303
Base-Backbone interact. energy: -0.000
local terms energy: -28.521368
where:
bonds (distance) C4'-P energy: -4.719
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.363
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: -6.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -51.397763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.397763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.397763 (E_RNA)
where:
Base-Base interactions energy: -27.034
where: short stacking energy: -22.660
Base-Backbone interact. energy: -0.002
local terms energy: -24.361849
where:
bonds (distance) C4'-P energy: -4.859
bonds (distance) P-C4' energy: -4.401
flat angles C4'-P-C4' energy: -6.132
flat angles P-C4'-P energy: -3.139
tors. eta vs tors. theta energy: -5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -43.606469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.606469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.606469 (E_RNA)
where:
Base-Base interactions energy: -19.397
where: short stacking energy: -19.397
Base-Backbone interact. energy: -0.010
local terms energy: -24.199029
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -4.484
flat angles C4'-P-C4' energy: -5.392
flat angles P-C4'-P energy: -4.872
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: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -42.506484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.506484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.506484 (E_RNA)
where:
Base-Base interactions energy: -22.006
where: short stacking energy: -12.451
Base-Backbone interact. energy: 0.865
local terms energy: -21.365527
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -4.696
flat angles P-C4'-P energy: -3.225
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: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -43.619029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.619029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.619029 (E_RNA)
where:
Base-Base interactions energy: -21.636
where: short stacking energy: -14.799
Base-Backbone interact. energy: -0.000
local terms energy: -21.983209
where:
bonds (distance) C4'-P energy: -4.321
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.818
flat angles P-C4'-P energy: -2.396
tors. eta vs tors. theta energy: -2.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -44.765052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.765052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.765052 (E_RNA)
where:
Base-Base interactions energy: -21.440
where: short stacking energy: -21.440
Base-Backbone interact. energy: -0.000
local terms energy: -23.324895
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -5.674
flat angles C4'-P-C4' energy: -6.225
flat angles P-C4'-P energy: -0.147
tors. eta vs tors. theta energy: -5.706
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: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -51.331815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.331815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.331815 (E_RNA)
where:
Base-Base interactions energy: -27.465
where: short stacking energy: -15.228
Base-Backbone interact. energy: -0.001
local terms energy: -23.865645
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -7.147
flat angles C4'-P-C4' energy: -6.340
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: -0.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -35.686441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.686441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.686441 (E_RNA)
where:
Base-Base interactions energy: -11.389
where: short stacking energy: -11.389
Base-Backbone interact. energy: -0.003
local terms energy: -24.294656
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -5.086
flat angles C4'-P-C4' energy: -4.962
flat angles P-C4'-P energy: -4.587
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: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -35.748068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.748068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.748068 (E_RNA)
where:
Base-Base interactions energy: -11.794
where: short stacking energy: -11.794
Base-Backbone interact. energy: -0.000
local terms energy: -23.954517
where:
bonds (distance) C4'-P energy: -4.523
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -1.980
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: 7
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -34.000782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.000782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.000782 (E_RNA)
where:
Base-Base interactions energy: -12.349
where: short stacking energy: -7.456
Base-Backbone interact. energy: -0.011
local terms energy: -21.640744
where:
bonds (distance) C4'-P energy: -4.694
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -4.062
flat angles P-C4'-P energy: -4.123
tors. eta vs tors. theta energy: -2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -47.565075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.565075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.565075 (E_RNA)
where:
Base-Base interactions energy: -22.898
where: short stacking energy: -20.819
Base-Backbone interact. energy: -0.000
local terms energy: -24.666766
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.291
flat angles P-C4'-P energy: -2.472
tors. eta vs tors. theta energy: -4.213
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: 6
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -54.061417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.061417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.061417 (E_RNA)
where:
Base-Base interactions energy: -25.905
where: short stacking energy: -25.905
Base-Backbone interact. energy: -0.000
local terms energy: -28.156111
where:
bonds (distance) C4'-P energy: -3.341
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.564
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: -7.471
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: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -42.378260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.378260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.378260 (E_RNA)
where:
Base-Base interactions energy: -18.510
where: short stacking energy: -13.620
Base-Backbone interact. energy: -0.194
local terms energy: -23.673652
where:
bonds (distance) C4'-P energy: -4.761
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.111
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -1.356
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: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -37.633540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.633540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.633540 (E_RNA)
where:
Base-Base interactions energy: -15.371
where: short stacking energy: -11.914
Base-Backbone interact. energy: -0.010
local terms energy: -22.252466
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -3.961
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -46.546103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.546103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.546103 (E_RNA)
where:
Base-Base interactions energy: -27.847
where: short stacking energy: -12.493
Base-Backbone interact. energy: -0.005
local terms energy: -18.694382
where:
bonds (distance) C4'-P energy: -2.330
bonds (distance) P-C4' energy: -5.157
flat angles C4'-P-C4' energy: -5.729
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: -1.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -36.952647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.952647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.952647 (E_RNA)
where:
Base-Base interactions energy: -15.155
where: short stacking energy: -10.670
Base-Backbone interact. energy: -0.000
local terms energy: -21.797968
where:
bonds (distance) C4'-P energy: -4.665
bonds (distance) P-C4' energy: -5.276
flat angles C4'-P-C4' energy: -4.706
flat angles P-C4'-P energy: -3.668
tors. eta vs tors. theta energy: -3.483
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: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -37.248594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.248594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.248594 (E_RNA)
where:
Base-Base interactions energy: -12.792
where: short stacking energy: -12.792
Base-Backbone interact. energy: -0.000
local terms energy: -24.456340
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -5.043
flat angles C4'-P-C4' energy: -4.339
flat angles P-C4'-P energy: -4.640
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: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -32.271415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.271415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.271415 (E_RNA)
where:
Base-Base interactions energy: -12.263
where: short stacking energy: -12.263
Base-Backbone interact. energy: -0.000
local terms energy: -20.008794
where:
bonds (distance) C4'-P energy: -4.789
bonds (distance) P-C4' energy: -3.588
flat angles C4'-P-C4' energy: -5.395
flat angles P-C4'-P energy: -2.651
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -35.573202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.573202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.573202 (E_RNA)
where:
Base-Base interactions energy: -12.267
where: short stacking energy: -12.267
Base-Backbone interact. energy: -0.000
local terms energy: -23.305785
where:
bonds (distance) C4'-P energy: -4.603
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -3.822
flat angles P-C4'-P energy: -4.795
tors. eta vs tors. theta energy: -3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -38.202777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.202777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.202777 (E_RNA)
where:
Base-Base interactions energy: -15.499
where: short stacking energy: -15.499
Base-Backbone interact. energy: -0.000
local terms energy: -22.703687
where:
bonds (distance) C4'-P energy: -3.617
bonds (distance) P-C4' energy: -4.144
flat angles C4'-P-C4' energy: -5.246
flat angles P-C4'-P energy: -2.926
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: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -53.283078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.283078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.283078 (E_RNA)
where:
Base-Base interactions energy: -24.581
where: short stacking energy: -24.581
Base-Backbone interact. energy: -0.000
local terms energy: -28.701647
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.959
flat angles P-C4'-P energy: -2.715
tors. eta vs tors. theta energy: -7.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -54.380202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.380202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.380202 (E_RNA)
where:
Base-Base interactions energy: -25.002
where: short stacking energy: -25.002
Base-Backbone interact. energy: -0.000
local terms energy: -29.377767
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.314
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -6.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -40.500649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.500649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.500649 (E_RNA)
where:
Base-Base interactions energy: -15.649
where: short stacking energy: -13.286
Base-Backbone interact. energy: -0.000
local terms energy: -24.851897
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -5.229
flat angles P-C4'-P energy: -5.132
tors. eta vs tors. theta energy: -3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -48.534559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.534559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.534559 (E_RNA)
where:
Base-Base interactions energy: -19.586
where: short stacking energy: -19.586
Base-Backbone interact. energy: -0.000
local terms energy: -28.948668
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.235
flat angles P-C4'-P energy: -3.695
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -37.150175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.150175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.150175 (E_RNA)
where:
Base-Base interactions energy: -13.044
where: short stacking energy: -13.044
Base-Backbone interact. energy: -0.000
local terms energy: -24.105824
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.614
flat angles C4'-P-C4' energy: -5.040
flat angles P-C4'-P energy: -1.774
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -43.396296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.396296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.396296 (E_RNA)
where:
Base-Base interactions energy: -19.654
where: short stacking energy: -19.654
Base-Backbone interact. energy: -0.003
local terms energy: -23.739478
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -5.413
flat angles C4'-P-C4' energy: -3.957
flat angles P-C4'-P energy: -4.671
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: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -37.432147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.432147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.432147 (E_RNA)
where:
Base-Base interactions energy: -12.984
where: short stacking energy: -12.984
Base-Backbone interact. energy: -0.011
local terms energy: -24.436780
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.998
flat angles P-C4'-P energy: -3.541
tors. eta vs tors. theta energy: -2.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -35.666580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.666580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.666580 (E_RNA)
where:
Base-Base interactions energy: -19.687
where: short stacking energy: -13.811
Base-Backbone interact. energy: -0.088
local terms energy: -15.891350
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -2.136
flat angles P-C4'-P energy: 1.868
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -42.371003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.371003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.371003 (E_RNA)
where:
Base-Base interactions energy: -18.265
where: short stacking energy: -18.265
Base-Backbone interact. energy: -0.000
local terms energy: -24.105929
where:
bonds (distance) C4'-P energy: -4.673
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.309
flat angles P-C4'-P energy: -3.404
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: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -30.967871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.967871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.967871 (E_RNA)
where:
Base-Base interactions energy: -9.101
where: short stacking energy: -9.101
Base-Backbone interact. energy: -0.018
local terms energy: -21.848944
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -3.189
flat angles P-C4'-P energy: -4.206
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: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -51.355664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.355664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.355664 (E_RNA)
where:
Base-Base interactions energy: -26.174
where: short stacking energy: -26.174
Base-Backbone interact. energy: -0.000
local terms energy: -25.182042
where:
bonds (distance) C4'-P energy: -3.431
bonds (distance) P-C4' energy: -5.678
flat angles C4'-P-C4' energy: -6.333
flat angles P-C4'-P energy: -4.100
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -46.053521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.053521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.053521 (E_RNA)
where:
Base-Base interactions energy: -18.215
where: short stacking energy: -18.215
Base-Backbone interact. energy: -0.000
local terms energy: -27.838803
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.610
flat angles P-C4'-P energy: -4.782
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: 3, replica: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -47.468462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.468462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.468462 (E_RNA)
where:
Base-Base interactions energy: -22.973
where: short stacking energy: -22.973
Base-Backbone interact. energy: -0.000
local terms energy: -24.495102
where:
bonds (distance) C4'-P energy: -3.849
bonds (distance) P-C4' energy: -4.681
flat angles C4'-P-C4' energy: -4.691
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -6.328
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: 3
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -42.741916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.741916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.741916 (E_RNA)
where:
Base-Base interactions energy: -15.425
where: short stacking energy: -15.425
Base-Backbone interact. energy: -0.000
local terms energy: -27.317006
where:
bonds (distance) C4'-P energy: -5.953
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -3.740
flat angles P-C4'-P energy: -5.091
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -33.402554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.402554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.402554 (E_RNA)
where:
Base-Base interactions energy: -12.017
where: short stacking energy: -12.017
Base-Backbone interact. energy: -0.009
local terms energy: -21.376252
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -3.808
flat angles P-C4'-P energy: -4.640
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: 6, replica: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -37.410695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.410695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.410695 (E_RNA)
where:
Base-Base interactions energy: -15.750
where: short stacking energy: -15.750
Base-Backbone interact. energy: -0.000
local terms energy: -21.660234
where:
bonds (distance) C4'-P energy: -4.673
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -4.635
flat angles P-C4'-P energy: -3.863
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: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -38.776949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.776949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.776949 (E_RNA)
where:
Base-Base interactions energy: -15.841
where: short stacking energy: -15.841
Base-Backbone interact. energy: -0.001
local terms energy: -22.935329
where:
bonds (distance) C4'-P energy: -4.691
bonds (distance) P-C4' energy: -5.594
flat angles C4'-P-C4' energy: -5.465
flat angles P-C4'-P energy: -4.328
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: 8, replica: 1
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -33.549307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.549307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.549307 (E_RNA)
where:
Base-Base interactions energy: -8.015
where: short stacking energy: -8.015
Base-Backbone interact. energy: -0.000
local terms energy: -25.534346
where:
bonds (distance) C4'-P energy: -4.665
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.619
flat angles P-C4'-P energy: -4.513
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: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -39.244700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.244700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.244700 (E_RNA)
where:
Base-Base interactions energy: -15.268
where: short stacking energy: -15.268
Base-Backbone interact. energy: -0.000
local terms energy: -23.976214
where:
bonds (distance) C4'-P energy: -4.508
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -5.122
flat angles P-C4'-P energy: -1.006
tors. eta vs tors. theta energy: -7.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -36.786372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.786372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.786372 (E_RNA)
where:
Base-Base interactions energy: -12.270
where: short stacking energy: -12.270
Base-Backbone interact. energy: -0.000
local terms energy: -24.516109
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -3.858
flat angles P-C4'-P energy: -3.004
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -46.532483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.532483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.532483 (E_RNA)
where:
Base-Base interactions energy: -20.358
where: short stacking energy: -20.358
Base-Backbone interact. energy: -0.000
local terms energy: -26.174525
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -6.080
flat angles P-C4'-P energy: -3.978
tors. eta vs tors. theta energy: -5.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -42.599592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.599592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.599592 (E_RNA)
where:
Base-Base interactions energy: -17.091
where: short stacking energy: -17.091
Base-Backbone interact. energy: -0.000
local terms energy: -25.508213
where:
bonds (distance) C4'-P energy: -5.626
bonds (distance) P-C4' energy: -6.681
flat angles C4'-P-C4' energy: -5.189
flat angles P-C4'-P energy: -4.361
tors. eta vs tors. theta energy: -3.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -39.046325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.046325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.046325 (E_RNA)
where:
Base-Base interactions energy: -14.183
where: short stacking energy: -14.183
Base-Backbone interact. energy: -0.000
local terms energy: -24.862636
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.995
flat angles P-C4'-P energy: -2.316
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: 4, replica: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -36.696901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.696901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.696901 (E_RNA)
where:
Base-Base interactions energy: -15.802
where: short stacking energy: -15.051
Base-Backbone interact. energy: -0.024
local terms energy: -20.871156
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.253
flat angles P-C4'-P energy: -2.452
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -41.165982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.165982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.165982 (E_RNA)
where:
Base-Base interactions energy: -20.615
where: short stacking energy: -12.567
Base-Backbone interact. energy: -0.104
local terms energy: -20.446617
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -4.466
flat angles C4'-P-C4' energy: -4.848
flat angles P-C4'-P energy: -3.646
tors. eta vs tors. theta energy: -1.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -40.461239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.461239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.461239 (E_RNA)
where:
Base-Base interactions energy: -14.213
where: short stacking energy: -14.213
Base-Backbone interact. energy: -0.000
local terms energy: -26.248360
where:
bonds (distance) C4'-P energy: -6.060
bonds (distance) P-C4' energy: -6.128
flat angles C4'-P-C4' energy: -5.919
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -36.486155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.486155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.486155 (E_RNA)
where:
Base-Base interactions energy: -13.723
where: short stacking energy: -13.723
Base-Backbone interact. energy: -0.001
local terms energy: -22.762327
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -4.666
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -3.369
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: 8, replica: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -35.287807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.287807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.287807 (E_RNA)
where:
Base-Base interactions energy: -16.415
where: short stacking energy: -13.707
Base-Backbone interact. energy: -0.119
local terms energy: -18.753801
where:
bonds (distance) C4'-P energy: -4.301
bonds (distance) P-C4' energy: -5.889
flat angles C4'-P-C4' energy: -6.037
flat angles P-C4'-P energy: -0.984
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: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -32.030983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.030983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.030983 (E_RNA)
where:
Base-Base interactions energy: -10.416
where: short stacking energy: -10.416
Base-Backbone interact. energy: -0.019
local terms energy: -21.596513
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -4.535
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -1.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -32.819774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.819774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.819774 (E_RNA)
where:
Base-Base interactions energy: -13.005
where: short stacking energy: -13.005
Base-Backbone interact. energy: -0.000
local terms energy: -19.815023
where:
bonds (distance) C4'-P energy: 0.088
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.652
flat angles P-C4'-P energy: -3.828
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: 1, replica: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -54.280985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.280985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.280985 (E_RNA)
where:
Base-Base interactions energy: -25.761
where: short stacking energy: -25.761
Base-Backbone interact. energy: -0.000
local terms energy: -28.520174
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -5.864
flat angles C4'-P-C4' energy: -5.106
flat angles P-C4'-P energy: -4.133
tors. eta vs tors. theta energy: -7.775
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: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -48.499448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.499448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.499448 (E_RNA)
where:
Base-Base interactions energy: -23.915
where: short stacking energy: -22.893
Base-Backbone interact. energy: -0.000
local terms energy: -24.584366
where:
bonds (distance) C4'-P energy: -4.632
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.491
flat angles P-C4'-P energy: -2.356
tors. eta vs tors. theta energy: -6.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -41.826358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.826358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.826358 (E_RNA)
where:
Base-Base interactions energy: -15.245
where: short stacking energy: -15.245
Base-Backbone interact. energy: -0.013
local terms energy: -26.569039
where:
bonds (distance) C4'-P energy: -6.462
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.402
flat angles P-C4'-P energy: -4.821
tors. eta vs tors. theta energy: -3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -51.085190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.085190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.085190 (E_RNA)
where:
Base-Base interactions energy: -32.529
where: short stacking energy: -12.837
Base-Backbone interact. energy: -0.000
local terms energy: -18.556031
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -4.818
flat angles C4'-P-C4' energy: -5.371
flat angles P-C4'-P energy: -0.637
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: 5, replica: 8
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -38.315526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.315526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.315526 (E_RNA)
where:
Base-Base interactions energy: -16.092
where: short stacking energy: -16.092
Base-Backbone interact. energy: -0.000
local terms energy: -22.223931
where:
bonds (distance) C4'-P energy: -4.376
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -4.892
flat angles P-C4'-P energy: -1.893
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: 6, replica: 1
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -35.902724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.902724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.902724 (E_RNA)
where:
Base-Base interactions energy: -17.164
where: short stacking energy: -17.164
Base-Backbone interact. energy: -0.000
local terms energy: -18.738752
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -4.392
flat angles C4'-P-C4' energy: -4.582
flat angles P-C4'-P energy: -1.507
tors. eta vs tors. theta energy: -3.060
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: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -34.798442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.798442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.798442 (E_RNA)
where:
Base-Base interactions energy: -13.927
where: short stacking energy: -13.154
Base-Backbone interact. energy: -0.010
local terms energy: -20.861280
where:
bonds (distance) C4'-P energy: -4.391
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.125
flat angles P-C4'-P energy: -2.971
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: 8, replica: 5
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -37.302840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.302840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.302840 (E_RNA)
where:
Base-Base interactions energy: -15.018
where: short stacking energy: -15.018
Base-Backbone interact. energy: -0.012
local terms energy: -22.273484
where:
bonds (distance) C4'-P energy: -2.368
bonds (distance) P-C4' energy: -5.833
flat angles C4'-P-C4' energy: -5.873
flat angles P-C4'-P energy: -4.482
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -32.371525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.371525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.371525 (E_RNA)
where:
Base-Base interactions energy: -13.189
where: short stacking energy: -9.931
Base-Backbone interact. energy: -0.069
local terms energy: -19.113964
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -3.972
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -0.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -36.767995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.767995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.767995 (E_RNA)
where:
Base-Base interactions energy: -17.620
where: short stacking energy: -17.620
Base-Backbone interact. energy: -0.000
local terms energy: -19.147350
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -2.609
flat angles C4'-P-C4' energy: -3.807
flat angles P-C4'-P energy: -2.890
tors. eta vs tors. theta energy: -4.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -45.287572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.287572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.287572 (E_RNA)
where:
Base-Base interactions energy: -20.504
where: short stacking energy: -20.504
Base-Backbone interact. energy: -0.000
local terms energy: -24.783667
where:
bonds (distance) C4'-P energy: -3.892
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.925
flat angles P-C4'-P energy: -3.918
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -50.503086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.503086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.503086 (E_RNA)
where:
Base-Base interactions energy: -24.233
where: short stacking energy: -24.233
Base-Backbone interact. energy: -0.000
local terms energy: -26.269815
where:
bonds (distance) C4'-P energy: -4.947
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -6.043
flat angles P-C4'-P energy: -2.902
tors. eta vs tors. theta energy: -7.035
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: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -50.013514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.013514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.013514 (E_RNA)
where:
Base-Base interactions energy: -26.258
where: short stacking energy: -14.227
Base-Backbone interact. energy: -0.037
local terms energy: -23.717853
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -4.958
flat angles P-C4'-P energy: -3.803
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: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -38.293342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.293342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.293342 (E_RNA)
where:
Base-Base interactions energy: -13.278
where: short stacking energy: -13.278
Base-Backbone interact. energy: -0.003
local terms energy: -25.012473
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -3.919
flat angles P-C4'-P energy: -4.760
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: 5, replica: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -41.824595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.824595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.824595 (E_RNA)
where:
Base-Base interactions energy: -18.672
where: short stacking energy: -18.672
Base-Backbone interact. energy: -0.000
local terms energy: -23.152719
where:
bonds (distance) C4'-P energy: -5.179
bonds (distance) P-C4' energy: -5.864
flat angles C4'-P-C4' energy: -4.407
flat angles P-C4'-P energy: -4.340
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -37.762368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.762368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.762368 (E_RNA)
where:
Base-Base interactions energy: -18.656
where: short stacking energy: -15.350
Base-Backbone interact. energy: -0.173
local terms energy: -18.932682
where:
bonds (distance) C4'-P energy: -4.251
bonds (distance) P-C4' energy: -5.413
flat angles C4'-P-C4' energy: -3.759
flat angles P-C4'-P energy: -2.756
tors. eta vs tors. theta energy: -2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -35.758375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.758375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.758375 (E_RNA)
where:
Base-Base interactions energy: -17.687
where: short stacking energy: -17.687
Base-Backbone interact. energy: -0.123
local terms energy: -17.948004
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -3.907
flat angles C4'-P-C4' energy: -3.239
flat angles P-C4'-P energy: -2.795
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -42.684649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.684649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.684649 (E_RNA)
where:
Base-Base interactions energy: -17.117
where: short stacking energy: -17.117
Base-Backbone interact. energy: -0.000
local terms energy: -25.568009
where:
bonds (distance) C4'-P energy: -4.885
bonds (distance) P-C4' energy: -5.424
flat angles C4'-P-C4' energy: -5.986
flat angles P-C4'-P energy: -4.099
tors. eta vs tors. theta energy: -5.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -35.153796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.153796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.153796 (E_RNA)
where:
Base-Base interactions energy: -13.553
where: short stacking energy: -12.983
Base-Backbone interact. energy: -0.005
local terms energy: -21.595580
where:
bonds (distance) C4'-P energy: -5.233
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -3.001
flat angles P-C4'-P energy: -3.278
tors. eta vs tors. theta energy: -3.634
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: 162
Temperature: 1.350000
Total energy: -34.730660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.730660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.730660 (E_RNA)
where:
Base-Base interactions energy: -14.050
where: short stacking energy: -14.050
Base-Backbone interact. energy: 0.015
local terms energy: -20.696048
where:
bonds (distance) C4'-P energy: -3.742
bonds (distance) P-C4' energy: -3.790
flat angles C4'-P-C4' energy: -5.597
flat angles P-C4'-P energy: -3.936
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: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -43.826163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.826163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.826163 (E_RNA)
where:
Base-Base interactions energy: -17.853
where: short stacking energy: -13.679
Base-Backbone interact. energy: -0.012
local terms energy: -25.961255
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.659
flat angles P-C4'-P energy: -3.471
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -45.417251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.417251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.417251 (E_RNA)
where:
Base-Base interactions energy: -25.001
where: short stacking energy: -11.603
Base-Backbone interact. energy: -0.037
local terms energy: -20.379715
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -5.397
flat angles P-C4'-P energy: -2.355
tors. eta vs tors. theta energy: -0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -48.472567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.472567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.472567 (E_RNA)
where:
Base-Base interactions energy: -23.731
where: short stacking energy: -23.731
Base-Backbone interact. energy: -0.000
local terms energy: -24.741343
where:
bonds (distance) C4'-P energy: -3.725
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -6.114
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: -6.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -53.070581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.070581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.070581 (E_RNA)
where:
Base-Base interactions energy: -29.248
where: short stacking energy: -18.408
Base-Backbone interact. energy: -0.003
local terms energy: -23.819166
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.682
flat angles P-C4'-P energy: -3.056
tors. eta vs tors. theta energy: -4.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -43.871686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.871686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.871686 (E_RNA)
where:
Base-Base interactions energy: -18.526
where: short stacking energy: -18.526
Base-Backbone interact. energy: -0.000
local terms energy: -25.344960
where:
bonds (distance) C4'-P energy: -5.724
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -6.021
flat angles P-C4'-P energy: -3.762
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -43.800079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.800079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.800079 (E_RNA)
where:
Base-Base interactions energy: -21.348
where: short stacking energy: -21.348
Base-Backbone interact. energy: -0.000
local terms energy: -22.452061
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -4.445
flat angles C4'-P-C4' energy: -3.868
flat angles P-C4'-P energy: -2.496
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -37.065914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.065914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.065914 (E_RNA)
where:
Base-Base interactions energy: -18.235
where: short stacking energy: -18.235
Base-Backbone interact. energy: -0.021
local terms energy: -18.810031
where:
bonds (distance) C4'-P energy: -4.094
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.257
flat angles P-C4'-P energy: -1.966
tors. eta vs tors. theta energy: -0.821
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: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -34.883589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.883589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.883589 (E_RNA)
where:
Base-Base interactions energy: -8.524
where: short stacking energy: -8.524
Base-Backbone interact. energy: -0.002
local terms energy: -26.357877
where:
bonds (distance) C4'-P energy: -5.481
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.414
flat angles P-C4'-P energy: -5.096
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: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -34.918333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.918333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.918333 (E_RNA)
where:
Base-Base interactions energy: -11.458
where: short stacking energy: -11.458
Base-Backbone interact. energy: 0.557
local terms energy: -24.017403
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -4.585
flat angles C4'-P-C4' energy: -5.711
flat angles P-C4'-P energy: -4.262
tors. eta vs tors. theta energy: -4.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -36.919802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.919802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.919802 (E_RNA)
where:
Base-Base interactions energy: -12.976
where: short stacking energy: -12.976
Base-Backbone interact. energy: -0.000
local terms energy: -23.943767
where:
bonds (distance) C4'-P energy: -5.393
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.764
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: -1.469
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: 164
Temperature: 0.900000
Total energy: -42.286262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.286262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.286262 (E_RNA)
where:
Base-Base interactions energy: -15.113
where: short stacking energy: -15.113
Base-Backbone interact. energy: -0.000
local terms energy: -27.173426
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.484
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -51.846908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.846908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.846908 (E_RNA)
where:
Base-Base interactions energy: -34.534
where: short stacking energy: -17.670
Base-Backbone interact. energy: -0.027
local terms energy: -17.285513
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -5.763
flat angles C4'-P-C4' energy: -3.342
flat angles P-C4'-P energy: -0.492
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: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -40.805996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.805996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.805996 (E_RNA)
where:
Base-Base interactions energy: -18.218
where: short stacking energy: -18.218
Base-Backbone interact. energy: -0.012
local terms energy: -22.575785
where:
bonds (distance) C4'-P energy: -3.928
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.548
flat angles P-C4'-P energy: -1.130
tors. eta vs tors. theta energy: -4.830
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: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -48.738214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.738214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.738214 (E_RNA)
where:
Base-Base interactions energy: -20.888
where: short stacking energy: -20.888
Base-Backbone interact. energy: -0.000
local terms energy: -27.850365
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -5.438
flat angles C4'-P-C4' energy: -5.496
flat angles P-C4'-P energy: -2.838
tors. eta vs tors. theta energy: -8.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -36.728378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.728378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.728378 (E_RNA)
where:
Base-Base interactions energy: -14.748
where: short stacking energy: -14.748
Base-Backbone interact. energy: -0.000
local terms energy: -21.980071
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -5.110
flat angles C4'-P-C4' energy: -5.920
flat angles P-C4'-P energy: -2.258
tors. eta vs tors. theta energy: -3.112
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: 1
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -48.600705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.600705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.600705 (E_RNA)
where:
Base-Base interactions energy: -23.853
where: short stacking energy: -20.026
Base-Backbone interact. energy: -0.684
local terms energy: -24.063148
where:
bonds (distance) C4'-P energy: -5.617
bonds (distance) P-C4' energy: -5.078
flat angles C4'-P-C4' energy: -6.144
flat angles P-C4'-P energy: -3.962
tors. eta vs tors. theta energy: -3.263
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: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -37.547962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.547962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.547962 (E_RNA)
where:
Base-Base interactions energy: -13.345
where: short stacking energy: -13.345
Base-Backbone interact. energy: -0.000
local terms energy: -24.202676
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.716
flat angles P-C4'-P energy: -0.622
tors. eta vs tors. theta energy: -5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -42.362027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.362027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.362027 (E_RNA)
where:
Base-Base interactions energy: -20.008
where: short stacking energy: -20.008
Base-Backbone interact. energy: -0.004
local terms energy: -22.350105
where:
bonds (distance) C4'-P energy: -3.982
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.544
flat angles P-C4'-P energy: -3.072
tors. eta vs tors. theta energy: -3.536
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: 9, replica: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -39.308692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.308692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.308692 (E_RNA)
where:
Base-Base interactions energy: -17.404
where: short stacking energy: -17.404
Base-Backbone interact. energy: -0.019
local terms energy: -21.886323
where:
bonds (distance) C4'-P energy: -4.639
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -5.888
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -1.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -31.723688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.723688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.723688 (E_RNA)
where:
Base-Base interactions energy: -10.194
where: short stacking energy: -10.194
Base-Backbone interact. energy: -0.066
local terms energy: -21.463571
where:
bonds (distance) C4'-P energy: -4.880
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -6.170
flat angles P-C4'-P energy: -2.271
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -47.360052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.360052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.360052 (E_RNA)
where:
Base-Base interactions energy: -24.449
where: short stacking energy: -13.196
Base-Backbone interact. energy: -0.000
local terms energy: -22.910935
where:
bonds (distance) C4'-P energy: -4.629
bonds (distance) P-C4' energy: -6.203
flat angles C4'-P-C4' energy: -6.152
flat angles P-C4'-P energy: -3.821
tors. eta vs tors. theta energy: -2.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -43.774762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.774762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.774762 (E_RNA)
where:
Base-Base interactions energy: -16.785
where: short stacking energy: -16.785
Base-Backbone interact. energy: -0.032
local terms energy: -26.957828
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -4.461
flat angles P-C4'-P energy: -4.716
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -42.486064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.486064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.486064 (E_RNA)
where:
Base-Base interactions energy: -18.225
where: short stacking energy: -18.225
Base-Backbone interact. energy: -0.000
local terms energy: -24.260890
where:
bonds (distance) C4'-P energy: -4.408
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -5.656
flat angles P-C4'-P energy: -2.152
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: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -39.416141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.416141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.416141 (E_RNA)
where:
Base-Base interactions energy: -14.837
where: short stacking energy: -14.099
Base-Backbone interact. energy: -0.000
local terms energy: -24.578668
where:
bonds (distance) C4'-P energy: -5.688
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -6.306
flat angles P-C4'-P energy: -2.348
tors. eta vs tors. theta energy: -3.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -38.219509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.219509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.219509 (E_RNA)
where:
Base-Base interactions energy: -17.646
where: short stacking energy: -17.646
Base-Backbone interact. energy: -0.000
local terms energy: -20.572690
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -4.073
flat angles P-C4'-P energy: -1.325
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: 6, replica: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -34.804948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.804948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.804948 (E_RNA)
where:
Base-Base interactions energy: -13.269
where: short stacking energy: -13.269
Base-Backbone interact. energy: -0.062
local terms energy: -21.474440
where:
bonds (distance) C4'-P energy: -4.756
bonds (distance) P-C4' energy: -4.536
flat angles C4'-P-C4' energy: -5.185
flat angles P-C4'-P energy: -3.090
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -33.698398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.698398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.698398 (E_RNA)
where:
Base-Base interactions energy: -16.022
where: short stacking energy: -10.786
Base-Backbone interact. energy: 1.043
local terms energy: -18.719963
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -5.298
flat angles C4'-P-C4' energy: -4.475
flat angles P-C4'-P energy: -4.008
tors. eta vs tors. theta energy: 0.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -37.162699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.162699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.162699 (E_RNA)
where:
Base-Base interactions energy: -13.582
where: short stacking energy: -13.582
Base-Backbone interact. energy: -0.071
local terms energy: -23.509627
where:
bonds (distance) C4'-P energy: -5.278
bonds (distance) P-C4' energy: -5.515
flat angles C4'-P-C4' energy: -6.486
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: -1.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -33.575769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.575769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.575769 (E_RNA)
where:
Base-Base interactions energy: -13.072
where: short stacking energy: -13.072
Base-Backbone interact. energy: -0.004
local terms energy: -20.499485
where:
bonds (distance) C4'-P energy: -4.093
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -3.883
flat angles P-C4'-P energy: -3.859
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: 10, replica: 2
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -33.625704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.625704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.625704 (E_RNA)
where:
Base-Base interactions energy: -10.179
where: short stacking energy: -10.179
Base-Backbone interact. energy: -0.049
local terms energy: -23.398514
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.371
flat angles C4'-P-C4' energy: -4.794
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -47.719118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.719118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.719118 (E_RNA)
where:
Base-Base interactions energy: -23.586
where: short stacking energy: -13.717
Base-Backbone interact. energy: -0.000
local terms energy: -24.133006
where:
bonds (distance) C4'-P energy: -4.694
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.943
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: -3.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -49.551061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.551061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.551061 (E_RNA)
where:
Base-Base interactions energy: -22.319
where: short stacking energy: -22.319
Base-Backbone interact. energy: -0.000
local terms energy: -27.231609
where:
bonds (distance) C4'-P energy: -4.835
bonds (distance) P-C4' energy: -7.147
flat angles C4'-P-C4' energy: -5.038
flat angles P-C4'-P energy: -4.720
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -45.346754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.346754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.346754 (E_RNA)
where:
Base-Base interactions energy: -16.982
where: short stacking energy: -16.982
Base-Backbone interact. energy: -0.000
local terms energy: -28.364707
where:
bonds (distance) C4'-P energy: -5.982
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -6.346
flat angles P-C4'-P energy: -3.607
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: 4, replica: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -39.857220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.857220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.857220 (E_RNA)
where:
Base-Base interactions energy: -15.035
where: short stacking energy: -15.035
Base-Backbone interact. energy: -0.008
local terms energy: -24.814403
where:
bonds (distance) C4'-P energy: -5.100
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -6.345
flat angles P-C4'-P energy: -3.404
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -47.146950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.146950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.146950 (E_RNA)
where:
Base-Base interactions energy: -27.703
where: short stacking energy: -15.791
Base-Backbone interact. energy: -0.001
local terms energy: -19.443003
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -4.910
flat angles C4'-P-C4' energy: -2.948
flat angles P-C4'-P energy: -3.112
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: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -35.025825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.025825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.025825 (E_RNA)
where:
Base-Base interactions energy: -17.924
where: short stacking energy: -5.030
Base-Backbone interact. energy: -0.001
local terms energy: -17.100199
where:
bonds (distance) C4'-P energy: -3.307
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -3.253
flat angles P-C4'-P energy: -3.294
tors. eta vs tors. theta energy: -0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -40.434310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.434310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.434310 (E_RNA)
where:
Base-Base interactions energy: -15.089
where: short stacking energy: -9.430
Base-Backbone interact. energy: -0.123
local terms energy: -25.223009
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.784
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -35.749623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.749623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.749623 (E_RNA)
where:
Base-Base interactions energy: -13.838
where: short stacking energy: -13.838
Base-Backbone interact. energy: -0.000
local terms energy: -21.911652
where:
bonds (distance) C4'-P energy: -4.548
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -5.250
flat angles P-C4'-P energy: -3.790
tors. eta vs tors. theta energy: -3.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -32.470178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.470178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.470178 (E_RNA)
where:
Base-Base interactions energy: -11.830
where: short stacking energy: -9.703
Base-Backbone interact. energy: -0.000
local terms energy: -20.639653
where:
bonds (distance) C4'-P energy: -2.988
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -5.362
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: -1.156
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: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -36.744286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.744286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.744286 (E_RNA)
where:
Base-Base interactions energy: -13.649
where: short stacking energy: -11.718
Base-Backbone interact. energy: -0.042
local terms energy: -23.053502
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -6.229
flat angles P-C4'-P energy: -3.152
tors. eta vs tors. theta energy: -2.306
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: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -46.754917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.754917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.754917 (E_RNA)
where:
Base-Base interactions energy: -20.886
where: short stacking energy: -20.886
Base-Backbone interact. energy: -0.000
local terms energy: -25.869008
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -4.673
flat angles P-C4'-P energy: -4.067
tors. eta vs tors. theta energy: -6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -46.462099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.462099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.462099 (E_RNA)
where:
Base-Base interactions energy: -20.214
where: short stacking energy: -20.214
Base-Backbone interact. energy: -0.000
local terms energy: -26.248141
where:
bonds (distance) C4'-P energy: -3.547
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -6.241
flat angles P-C4'-P energy: -4.269
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: 3, replica: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -43.144893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.144893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.144893 (E_RNA)
where:
Base-Base interactions energy: -21.775
where: short stacking energy: -21.775
Base-Backbone interact. energy: -0.000
local terms energy: -21.369668
where:
bonds (distance) C4'-P energy: -4.694
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -6.151
flat angles P-C4'-P energy: -1.800
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -40.057098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.057098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.057098 (E_RNA)
where:
Base-Base interactions energy: -14.435
where: short stacking energy: -14.435
Base-Backbone interact. energy: -0.001
local terms energy: -25.620843
where:
bonds (distance) C4'-P energy: -4.115
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.727
flat angles P-C4'-P energy: -3.823
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: 5, replica: 7
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -46.506728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.506728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.506728 (E_RNA)
where:
Base-Base interactions energy: -19.240
where: short stacking energy: -19.240
Base-Backbone interact. energy: -0.000
local terms energy: -27.266636
where:
bonds (distance) C4'-P energy: -4.525
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.082
flat angles P-C4'-P energy: -4.475
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -41.210053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.210053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.210053 (E_RNA)
where:
Base-Base interactions energy: -18.896
where: short stacking energy: -18.896
Base-Backbone interact. energy: -0.000
local terms energy: -22.314009
where:
bonds (distance) C4'-P energy: -2.596
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.792
flat angles P-C4'-P energy: -4.983
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: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -39.957660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.957660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.957660 (E_RNA)
where:
Base-Base interactions energy: -15.594
where: short stacking energy: -15.594
Base-Backbone interact. energy: -0.001
local terms energy: -24.362427
where:
bonds (distance) C4'-P energy: -4.557
bonds (distance) P-C4' energy: -4.416
flat angles C4'-P-C4' energy: -6.117
flat angles P-C4'-P energy: -4.671
tors. eta vs tors. theta energy: -4.601
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: 2
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -35.749801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.749801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.749801 (E_RNA)
where:
Base-Base interactions energy: -12.093
where: short stacking energy: -12.093
Base-Backbone interact. energy: -0.101
local terms energy: -23.555822
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -5.372
flat angles P-C4'-P energy: -4.713
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: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -29.558861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.558861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.558861 (E_RNA)
where:
Base-Base interactions energy: -10.291
where: short stacking energy: -10.291
Base-Backbone interact. energy: -0.002
local terms energy: -19.266364
where:
bonds (distance) C4'-P energy: -5.688
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -2.257
flat angles P-C4'-P energy: -2.944
tors. eta vs tors. theta energy: -1.735
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: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -33.171626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.171626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.171626 (E_RNA)
where:
Base-Base interactions energy: -12.982
where: short stacking energy: -6.644
Base-Backbone interact. energy: -0.005
local terms energy: -20.185302
where:
bonds (distance) C4'-P energy: -4.773
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.311
flat angles P-C4'-P energy: -4.261
tors. eta vs tors. theta energy: 0.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -48.369470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.369470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.369470 (E_RNA)
where:
Base-Base interactions energy: -19.797
where: short stacking energy: -19.797
Base-Backbone interact. energy: -0.001
local terms energy: -28.571657
where:
bonds (distance) C4'-P energy: -5.982
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.474
flat angles P-C4'-P energy: -3.796
tors. eta vs tors. theta energy: -6.440
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: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -47.436687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.436687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.436687 (E_RNA)
where:
Base-Base interactions energy: -21.843
where: short stacking energy: -21.843
Base-Backbone interact. energy: -0.000
local terms energy: -25.592886
where:
bonds (distance) C4'-P energy: -4.880
bonds (distance) P-C4' energy: -4.659
flat angles C4'-P-C4' energy: -5.581
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: -6.139
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: 6
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -50.505810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.505810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.505810 (E_RNA)
where:
Base-Base interactions energy: -22.147
where: short stacking energy: -22.147
Base-Backbone interact. energy: -0.000
local terms energy: -28.358535
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.126
flat angles P-C4'-P energy: -4.636
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: 4, replica: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -41.371695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.371695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.371695 (E_RNA)
where:
Base-Base interactions energy: -18.763
where: short stacking energy: -18.763
Base-Backbone interact. energy: -0.000
local terms energy: -22.609149
where:
bonds (distance) C4'-P energy: -1.928
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -5.745
flat angles P-C4'-P energy: -4.391
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: 5, replica: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -42.580870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.580870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.580870 (E_RNA)
where:
Base-Base interactions energy: -20.570
where: short stacking energy: -20.570
Base-Backbone interact. energy: -0.000
local terms energy: -22.011079
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -3.133
flat angles C4'-P-C4' energy: -6.059
flat angles P-C4'-P energy: -1.514
tors. eta vs tors. theta energy: -5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -41.711635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.711635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.711635 (E_RNA)
where:
Base-Base interactions energy: -15.541
where: short stacking energy: -15.541
Base-Backbone interact. energy: -0.000
local terms energy: -26.170745
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -4.492
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -43.436746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.436746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.436746 (E_RNA)
where:
Base-Base interactions energy: -20.925
where: short stacking energy: -20.925
Base-Backbone interact. energy: -0.000
local terms energy: -22.512056
where:
bonds (distance) C4'-P energy: -3.014
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -6.026
flat angles P-C4'-P energy: -2.299
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -39.348029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.348029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.348029 (E_RNA)
where:
Base-Base interactions energy: -16.172
where: short stacking energy: -16.172
Base-Backbone interact. energy: -0.000
local terms energy: -23.175671
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -4.314
flat angles P-C4'-P energy: -3.342
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -35.522844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.522844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.522844 (E_RNA)
where:
Base-Base interactions energy: -12.247
where: short stacking energy: -12.247
Base-Backbone interact. energy: -0.001
local terms energy: -23.275539
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -5.777
flat angles C4'-P-C4' energy: -6.130
flat angles P-C4'-P energy: -2.390
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: 168
Temperature: 1.350000
Total energy: -34.188315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.188315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.188315 (E_RNA)
where:
Base-Base interactions energy: -11.580
where: short stacking energy: -7.802
Base-Backbone interact. energy: -0.896
local terms energy: -21.712420
where:
bonds (distance) C4'-P energy: -3.751
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -6.067
flat angles P-C4'-P energy: -3.348
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -49.671151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.671151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.671151 (E_RNA)
where:
Base-Base interactions energy: -21.301
where: short stacking energy: -20.505
Base-Backbone interact. energy: -0.000
local terms energy: -28.370175
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.646
flat angles P-C4'-P energy: -4.878
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -50.759898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.759898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.759898 (E_RNA)
where:
Base-Base interactions energy: -21.262
where: short stacking energy: -21.262
Base-Backbone interact. energy: -0.000
local terms energy: -29.498123
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -7.147
flat angles C4'-P-C4' energy: -6.666
flat angles P-C4'-P energy: -4.895
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -42.620655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.620655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.620655 (E_RNA)
where:
Base-Base interactions energy: -18.094
where: short stacking energy: -18.094
Base-Backbone interact. energy: -0.000
local terms energy: -24.526851
where:
bonds (distance) C4'-P energy: -3.192
bonds (distance) P-C4' energy: -4.951
flat angles C4'-P-C4' energy: -5.820
flat angles P-C4'-P energy: -4.518
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: 4, replica: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -37.059626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.059626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.059626 (E_RNA)
where:
Base-Base interactions energy: -15.969
where: short stacking energy: -15.493
Base-Backbone interact. energy: -0.004
local terms energy: -21.086628
where:
bonds (distance) C4'-P energy: -2.801
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -5.854
flat angles P-C4'-P energy: -3.468
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -46.566025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.566025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.566025 (E_RNA)
where:
Base-Base interactions energy: -22.500
where: short stacking energy: -14.575
Base-Backbone interact. energy: -0.002
local terms energy: -24.064182
where:
bonds (distance) C4'-P energy: -5.207
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -3.301
tors. eta vs tors. theta energy: -4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -35.475018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.475018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.475018 (E_RNA)
where:
Base-Base interactions energy: -15.317
where: short stacking energy: -15.317
Base-Backbone interact. energy: -0.000
local terms energy: -20.157554
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -4.172
flat angles C4'-P-C4' energy: -4.575
flat angles P-C4'-P energy: -4.643
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: 7, replica: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -34.417830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.417830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.417830 (E_RNA)
where:
Base-Base interactions energy: -14.102
where: short stacking energy: -9.883
Base-Backbone interact. energy: -0.111
local terms energy: -20.204577
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -4.510
flat angles P-C4'-P energy: -2.064
tors. eta vs tors. theta energy: -2.439
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: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -39.368669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.368669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.368669 (E_RNA)
where:
Base-Base interactions energy: -12.855
where: short stacking energy: -12.855
Base-Backbone interact. energy: -0.000
local terms energy: -26.513390
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -5.364
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -38.984924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.984924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.984924 (E_RNA)
where:
Base-Base interactions energy: -11.802
where: short stacking energy: -11.802
Base-Backbone interact. energy: -0.000
local terms energy: -27.182450
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.200
flat angles P-C4'-P energy: -1.496
tors. eta vs tors. theta energy: -7.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -35.285760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.285760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.285760 (E_RNA)
where:
Base-Base interactions energy: -16.357
where: short stacking energy: -16.357
Base-Backbone interact. energy: -0.000
local terms energy: -18.928175
where:
bonds (distance) C4'-P energy: -4.871
bonds (distance) P-C4' energy: -5.522
flat angles C4'-P-C4' energy: -5.374
flat angles P-C4'-P energy: -1.109
tors. eta vs tors. theta energy: -2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -48.718840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.718840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.718840 (E_RNA)
where:
Base-Base interactions energy: -20.537
where: short stacking energy: -20.537
Base-Backbone interact. energy: -0.000
local terms energy: -28.182166
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.978
flat angles P-C4'-P energy: -3.022
tors. eta vs tors. theta energy: -6.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -52.327315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.327315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.327315 (E_RNA)
where:
Base-Base interactions energy: -22.066
where: short stacking energy: -22.066
Base-Backbone interact. energy: -0.000
local terms energy: -30.261577
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -6.591
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: -6.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -43.304560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.304560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.304560 (E_RNA)
where:
Base-Base interactions energy: -20.219
where: short stacking energy: -20.219
Base-Backbone interact. energy: -0.000
local terms energy: -23.085112
where:
bonds (distance) C4'-P energy: -4.913
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -5.436
flat angles P-C4'-P energy: -3.875
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -47.390310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.390310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.390310 (E_RNA)
where:
Base-Base interactions energy: -20.780
where: short stacking energy: -20.780
Base-Backbone interact. energy: -0.000
local terms energy: -26.610801
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.131
flat angles C4'-P-C4' energy: -5.780
flat angles P-C4'-P energy: -4.281
tors. eta vs tors. theta energy: -5.189
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: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -45.296036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.296036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.296036 (E_RNA)
where:
Base-Base interactions energy: -17.356
where: short stacking energy: -17.356
Base-Backbone interact. energy: -0.000
local terms energy: -27.939657
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.995
flat angles C4'-P-C4' energy: -6.017
flat angles P-C4'-P energy: -3.042
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: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -44.544362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.544362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.544362 (E_RNA)
where:
Base-Base interactions energy: -20.594
where: short stacking energy: -20.594
Base-Backbone interact. energy: -0.092
local terms energy: -23.858453
where:
bonds (distance) C4'-P energy: -2.314
bonds (distance) P-C4' energy: -5.755
flat angles C4'-P-C4' energy: -6.015
flat angles P-C4'-P energy: -4.931
tors. eta vs tors. theta energy: -4.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -45.188115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.188115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.188115 (E_RNA)
where:
Base-Base interactions energy: -19.541
where: short stacking energy: -19.541
Base-Backbone interact. energy: -0.000
local terms energy: -25.646985
where:
bonds (distance) C4'-P energy: -5.141
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -5.233
flat angles P-C4'-P energy: -3.945
tors. eta vs tors. theta energy: -6.222
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: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -37.710609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.710609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.710609 (E_RNA)
where:
Base-Base interactions energy: -14.621
where: short stacking energy: -14.621
Base-Backbone interact. energy: -0.000
local terms energy: -23.089694
where:
bonds (distance) C4'-P energy: -4.106
bonds (distance) P-C4' energy: -5.301
flat angles C4'-P-C4' energy: -4.993
flat angles P-C4'-P energy: -3.648
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: 170
Temperature: 1.300000
Total energy: -35.568103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.568103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.568103 (E_RNA)
where:
Base-Base interactions energy: -10.799
where: short stacking energy: -10.799
Base-Backbone interact. energy: -0.000
local terms energy: -24.769216
where:
bonds (distance) C4'-P energy: -6.139
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -6.321
flat angles P-C4'-P energy: -2.615
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: 4
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -36.074567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.074567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.074567 (E_RNA)
where:
Base-Base interactions energy: -13.995
where: short stacking energy: -13.995
Base-Backbone interact. energy: -0.063
local terms energy: -22.015790
where:
bonds (distance) C4'-P energy: -4.471
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -5.221
flat angles P-C4'-P energy: -2.682
tors. eta vs tors. theta energy: -4.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -52.428709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.428709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.428709 (E_RNA)
where:
Base-Base interactions energy: -23.352
where: short stacking energy: -23.352
Base-Backbone interact. energy: -0.000
local terms energy: -29.076986
where:
bonds (distance) C4'-P energy: -4.430
bonds (distance) P-C4' energy: -6.129
flat angles C4'-P-C4' energy: -5.675
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -7.459
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: 171
Temperature: 0.950000
Total energy: -42.412958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.412958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.412958 (E_RNA)
where:
Base-Base interactions energy: -22.340
where: short stacking energy: -22.340
Base-Backbone interact. energy: -0.002
local terms energy: -20.071023
where:
bonds (distance) C4'-P energy: -5.360
bonds (distance) P-C4' energy: -6.392
flat angles C4'-P-C4' energy: -3.161
flat angles P-C4'-P energy: -3.578
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: 3, replica: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -41.597379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.597379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.597379 (E_RNA)
where:
Base-Base interactions energy: -16.201
where: short stacking energy: -12.367
Base-Backbone interact. energy: -0.000
local terms energy: -25.395554
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.298
flat angles C4'-P-C4' energy: -6.021
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -42.487467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.487467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.487467 (E_RNA)
where:
Base-Base interactions energy: -18.881
where: short stacking energy: -18.881
Base-Backbone interact. energy: -0.000
local terms energy: -23.605899
where:
bonds (distance) C4'-P energy: -5.527
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -5.587
flat angles P-C4'-P energy: -2.436
tors. eta vs tors. theta energy: -3.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -34.561322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.561322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.561322 (E_RNA)
where:
Base-Base interactions energy: -14.462
where: short stacking energy: -10.875
Base-Backbone interact. energy: -0.165
local terms energy: -19.933834
where:
bonds (distance) C4'-P energy: -4.996
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -5.205
flat angles P-C4'-P energy: -3.967
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: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -41.819949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.819949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.819949 (E_RNA)
where:
Base-Base interactions energy: -18.066
where: short stacking energy: -18.066
Base-Backbone interact. energy: -0.001
local terms energy: -23.752993
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.699
flat angles C4'-P-C4' energy: -5.600
flat angles P-C4'-P energy: -4.184
tors. eta vs tors. theta energy: -2.450
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: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -42.215433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.215433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.215433 (E_RNA)
where:
Base-Base interactions energy: -21.740
where: short stacking energy: -21.740
Base-Backbone interact. energy: -0.000
local terms energy: -20.475563
where:
bonds (distance) C4'-P energy: -2.471
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -5.012
flat angles P-C4'-P energy: -3.791
tors. eta vs tors. theta energy: -5.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -30.944280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.944280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.944280 (E_RNA)
where:
Base-Base interactions energy: -9.761
where: short stacking energy: -9.761
Base-Backbone interact. energy: -0.000
local terms energy: -21.183294
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -5.073
flat angles C4'-P-C4' energy: -5.725
flat angles P-C4'-P energy: -2.944
tors. eta vs tors. theta energy: -2.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -37.010641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.010641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.010641 (E_RNA)
where:
Base-Base interactions energy: -14.839
where: short stacking energy: -14.839
Base-Backbone interact. energy: -0.000
local terms energy: -22.171904
where:
bonds (distance) C4'-P energy: -5.099
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -3.992
flat angles P-C4'-P energy: -3.767
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -36.480135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.480135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.480135 (E_RNA)
where:
Base-Base interactions energy: -13.618
where: short stacking energy: -13.618
Base-Backbone interact. energy: -0.004
local terms energy: -22.857341
where:
bonds (distance) C4'-P energy: -5.099
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -3.800
flat angles P-C4'-P energy: -3.405
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -48.348167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.348167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.348167 (E_RNA)
where:
Base-Base interactions energy: -22.572
where: short stacking energy: -22.572
Base-Backbone interact. energy: -0.000
local terms energy: -25.776075
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -6.608
flat angles P-C4'-P energy: -1.726
tors. eta vs tors. theta energy: -5.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -46.607686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.607686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.607686 (E_RNA)
where:
Base-Base interactions energy: -21.291
where: short stacking energy: -21.291
Base-Backbone interact. energy: -0.000
local terms energy: -25.316747
where:
bonds (distance) C4'-P energy: -6.470
bonds (distance) P-C4' energy: -5.153
flat angles C4'-P-C4' energy: -5.677
flat angles P-C4'-P energy: -1.145
tors. eta vs tors. theta energy: -6.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -44.048959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.048959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.048959 (E_RNA)
where:
Base-Base interactions energy: -18.476
where: short stacking energy: -18.476
Base-Backbone interact. energy: -0.000
local terms energy: -25.572645
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.638
flat angles P-C4'-P energy: -3.816
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: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -44.607826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.607826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.607826 (E_RNA)
where:
Base-Base interactions energy: -18.280
where: short stacking energy: -18.280
Base-Backbone interact. energy: -0.130
local terms energy: -26.197699
where:
bonds (distance) C4'-P energy: -5.286
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -6.048
flat angles P-C4'-P energy: -2.501
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -36.935461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.935461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.935461 (E_RNA)
where:
Base-Base interactions energy: -18.333
where: short stacking energy: -18.333
Base-Backbone interact. energy: -0.000
local terms energy: -18.602098
where:
bonds (distance) C4'-P energy: -4.595
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -2.130
flat angles P-C4'-P energy: -3.246
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: 6, replica: 2
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -49.073247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.073247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.073247 (E_RNA)
where:
Base-Base interactions energy: -26.181
where: short stacking energy: -13.751
Base-Backbone interact. energy: -0.000
local terms energy: -22.892091
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.914
flat angles C4'-P-C4' energy: -4.414
flat angles P-C4'-P energy: -2.348
tors. eta vs tors. theta energy: -2.878
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: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -36.141577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.141577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.141577 (E_RNA)
where:
Base-Base interactions energy: -13.135
where: short stacking energy: -13.135
Base-Backbone interact. energy: -0.000
local terms energy: -23.006963
where:
bonds (distance) C4'-P energy: -1.333
bonds (distance) P-C4' energy: -6.653
flat angles C4'-P-C4' energy: -6.136
flat angles P-C4'-P energy: -4.156
tors. eta vs tors. theta energy: -4.729
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: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -29.168772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.168772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.168772 (E_RNA)
where:
Base-Base interactions energy: -8.991
where: short stacking energy: -4.172
Base-Backbone interact. energy: -0.103
local terms energy: -20.074893
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -4.416
flat angles P-C4'-P energy: -4.609
tors. eta vs tors. theta energy: 0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -39.575673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.575673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.575673 (E_RNA)
where:
Base-Base interactions energy: -17.550
where: short stacking energy: -12.870
Base-Backbone interact. energy: -0.001
local terms energy: -22.025072
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -4.388
flat angles C4'-P-C4' energy: -6.113
flat angles P-C4'-P energy: -2.967
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: 10, replica: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -34.893402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.893402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.893402 (E_RNA)
where:
Base-Base interactions energy: -14.183
where: short stacking energy: -14.183
Base-Backbone interact. energy: -0.006
local terms energy: -20.704084
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -3.889
flat angles P-C4'-P energy: -3.518
tors. eta vs tors. theta energy: -1.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -48.857201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.857201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.857201 (E_RNA)
where:
Base-Base interactions energy: -23.271
where: short stacking energy: -23.271
Base-Backbone interact. energy: -0.000
local terms energy: -25.586487
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -6.563
flat angles P-C4'-P energy: -2.390
tors. eta vs tors. theta energy: -4.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -52.794741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.794741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.794741 (E_RNA)
where:
Base-Base interactions energy: -24.197
where: short stacking energy: -24.197
Base-Backbone interact. energy: -0.000
local terms energy: -28.597422
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -6.114
flat angles P-C4'-P energy: -2.981
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: 3, replica: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -38.456448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.456448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.456448 (E_RNA)
where:
Base-Base interactions energy: -13.493
where: short stacking energy: -13.493
Base-Backbone interact. energy: -0.000
local terms energy: -24.963775
where:
bonds (distance) C4'-P energy: -3.187
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -37.601699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.601699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.601699 (E_RNA)
where:
Base-Base interactions energy: -15.825
where: short stacking energy: -15.825
Base-Backbone interact. energy: -0.010
local terms energy: -21.766674
where:
bonds (distance) C4'-P energy: -4.401
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.810
flat angles P-C4'-P energy: -2.629
tors. eta vs tors. theta energy: -2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -48.483868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.483868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.483868 (E_RNA)
where:
Base-Base interactions energy: -23.426
where: short stacking energy: -23.426
Base-Backbone interact. energy: -0.000
local terms energy: -25.057568
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -3.948
flat angles C4'-P-C4' energy: -4.082
flat angles P-C4'-P energy: -3.980
tors. eta vs tors. theta energy: -7.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -36.520202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.520202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.520202 (E_RNA)
where:
Base-Base interactions energy: -14.490
where: short stacking energy: -14.490
Base-Backbone interact. energy: -0.000
local terms energy: -22.030094
where:
bonds (distance) C4'-P energy: -3.199
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -2.090
flat angles P-C4'-P energy: -3.656
tors. eta vs tors. theta energy: -6.893
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: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -33.807536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.807536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.807536 (E_RNA)
where:
Base-Base interactions energy: -11.250
where: short stacking energy: -11.250
Base-Backbone interact. energy: -0.000
local terms energy: -22.557920
where:
bonds (distance) C4'-P energy: -3.505
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.650
flat angles P-C4'-P energy: -3.832
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: 8, replica: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -38.191526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.191526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.191526 (E_RNA)
where:
Base-Base interactions energy: -16.097
where: short stacking energy: -16.097
Base-Backbone interact. energy: -0.000
local terms energy: -22.094880
where:
bonds (distance) C4'-P energy: -3.236
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -4.234
flat angles P-C4'-P energy: -4.248
tors. eta vs tors. theta energy: -3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -34.304381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.304381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.304381 (E_RNA)
where:
Base-Base interactions energy: -11.563
where: short stacking energy: -11.563
Base-Backbone interact. energy: -0.000
local terms energy: -22.741854
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -5.195
flat angles P-C4'-P energy: -3.056
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -31.250745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.250745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.250745 (E_RNA)
where:
Base-Base interactions energy: -14.064
where: short stacking energy: -9.871
Base-Backbone interact. energy: 0.198
local terms energy: -17.385075
where:
bonds (distance) C4'-P energy: -4.815
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.246
flat angles P-C4'-P energy: -2.136
tors. eta vs tors. theta energy: 0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -50.583987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.583987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.583987 (E_RNA)
where:
Base-Base interactions energy: -26.797
where: short stacking energy: -12.967
Base-Backbone interact. energy: -0.001
local terms energy: -23.785877
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -6.275
flat angles P-C4'-P energy: -4.481
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: 2, replica: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -48.067227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.067227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.067227 (E_RNA)
where:
Base-Base interactions energy: -21.519
where: short stacking energy: -21.519
Base-Backbone interact. energy: -0.002
local terms energy: -26.546493
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.681
flat angles C4'-P-C4' energy: -5.109
flat angles P-C4'-P energy: -4.374
tors. eta vs tors. theta energy: -4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -48.287368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.287368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.287368 (E_RNA)
where:
Base-Base interactions energy: -21.522
where: short stacking energy: -15.599
Base-Backbone interact. energy: -1.054
local terms energy: -25.711657
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.483
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -49.180821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.180821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.180821 (E_RNA)
where:
Base-Base interactions energy: -23.872
where: short stacking energy: -13.168
Base-Backbone interact. energy: -0.448
local terms energy: -24.860010
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.373
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -3.504
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: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -38.860572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.860572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.860572 (E_RNA)
where:
Base-Base interactions energy: -13.327
where: short stacking energy: -13.327
Base-Backbone interact. energy: -0.000
local terms energy: -25.533262
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.888
flat angles P-C4'-P energy: -4.640
tors. eta vs tors. theta energy: -1.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -46.048161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.048161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.048161 (E_RNA)
where:
Base-Base interactions energy: -19.476
where: short stacking energy: -19.476
Base-Backbone interact. energy: -0.000
local terms energy: -26.571929
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -3.912
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -5.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -34.336477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.336477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.336477 (E_RNA)
where:
Base-Base interactions energy: -14.987
where: short stacking energy: -14.987
Base-Backbone interact. energy: -0.000
local terms energy: -19.349653
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -2.386
flat angles P-C4'-P energy: -3.023
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -36.659205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.659205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.659205 (E_RNA)
where:
Base-Base interactions energy: -13.352
where: short stacking energy: -13.352
Base-Backbone interact. energy: -0.000
local terms energy: -23.307231
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.467
flat angles C4'-P-C4' energy: -2.721
flat angles P-C4'-P energy: -3.631
tors. eta vs tors. theta energy: -4.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -27.200990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.200990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.200990 (E_RNA)
where:
Base-Base interactions energy: -9.187
where: short stacking energy: -9.187
Base-Backbone interact. energy: -0.132
local terms energy: -17.881591
where:
bonds (distance) C4'-P energy: -2.836
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -4.334
flat angles P-C4'-P energy: -3.256
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -30.047255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.047255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.047255 (E_RNA)
where:
Base-Base interactions energy: -11.716
where: short stacking energy: -11.716
Base-Backbone interact. energy: -0.007
local terms energy: -18.324702
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -4.470
flat angles C4'-P-C4' energy: -4.897
flat angles P-C4'-P energy: -3.545
tors. eta vs tors. theta energy: -0.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -54.102255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.102255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.102255 (E_RNA)
where:
Base-Base interactions energy: -29.989
where: short stacking energy: -19.177
Base-Backbone interact. energy: -0.000
local terms energy: -24.113616
where:
bonds (distance) C4'-P energy: -4.285
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.685
flat angles P-C4'-P energy: -2.709
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -51.362178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.362178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.362178 (E_RNA)
where:
Base-Base interactions energy: -23.332
where: short stacking energy: -23.332
Base-Backbone interact. energy: -0.000
local terms energy: -28.030459
where:
bonds (distance) C4'-P energy: -4.462
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -6.324
flat angles P-C4'-P energy: -4.772
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -45.614996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.614996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.614996 (E_RNA)
where:
Base-Base interactions energy: -19.262
where: short stacking energy: -19.262
Base-Backbone interact. energy: -0.000
local terms energy: -26.353312
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -5.767
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -43.003762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.003762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.003762 (E_RNA)
where:
Base-Base interactions energy: -14.981
where: short stacking energy: -14.981
Base-Backbone interact. energy: -0.009
local terms energy: -28.013794
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.360
flat angles P-C4'-P energy: -5.314
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: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -39.335479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.335479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.335479 (E_RNA)
where:
Base-Base interactions energy: -17.064
where: short stacking energy: -11.672
Base-Backbone interact. energy: -0.000
local terms energy: -22.270661
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.085
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: 0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -43.537404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.537404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.537404 (E_RNA)
where:
Base-Base interactions energy: -18.084
where: short stacking energy: -18.084
Base-Backbone interact. energy: -0.002
local terms energy: -25.451143
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -4.854
flat angles C4'-P-C4' energy: -5.724
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -3.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -38.937471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.937471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.937471 (E_RNA)
where:
Base-Base interactions energy: -18.132
where: short stacking energy: -18.132
Base-Backbone interact. energy: -0.063
local terms energy: -20.742324
where:
bonds (distance) C4'-P energy: -2.197
bonds (distance) P-C4' energy: -4.614
flat angles C4'-P-C4' energy: -6.292
flat angles P-C4'-P energy: -3.288
tors. eta vs tors. theta energy: -4.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -41.963460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.963460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.963460 (E_RNA)
where:
Base-Base interactions energy: -16.823
where: short stacking energy: -16.823
Base-Backbone interact. energy: -0.027
local terms energy: -25.113454
where:
bonds (distance) C4'-P energy: -4.694
bonds (distance) P-C4' energy: -5.730
flat angles C4'-P-C4' energy: -6.064
flat angles P-C4'-P energy: -2.771
tors. eta vs tors. theta energy: -5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -28.873941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.873941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.873941 (E_RNA)
where:
Base-Base interactions energy: -9.605
where: short stacking energy: -9.605
Base-Backbone interact. energy: -0.004
local terms energy: -19.265287
where:
bonds (distance) C4'-P energy: -3.990
bonds (distance) P-C4' energy: -6.125
flat angles C4'-P-C4' energy: -4.639
flat angles P-C4'-P energy: -3.624
tors. eta vs tors. theta energy: -0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -37.237876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.237876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.237876 (E_RNA)
where:
Base-Base interactions energy: -17.029
where: short stacking energy: -17.029
Base-Backbone interact. energy: -0.003
local terms energy: -20.205672
where:
bonds (distance) C4'-P energy: -3.762
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -5.573
flat angles P-C4'-P energy: -0.826
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: 1, replica: 10
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -45.607342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.607342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.607342 (E_RNA)
where:
Base-Base interactions energy: -22.418
where: short stacking energy: -19.030
Base-Backbone interact. energy: -0.013
local terms energy: -23.176657
where:
bonds (distance) C4'-P energy: -5.332
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.339
flat angles P-C4'-P energy: -4.026
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: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -47.967125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.967125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.967125 (E_RNA)
where:
Base-Base interactions energy: -20.174
where: short stacking energy: -20.174
Base-Backbone interact. energy: -0.001
local terms energy: -27.792087
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -5.594
flat angles C4'-P-C4' energy: -6.148
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -5.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -47.957736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.957736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.957736 (E_RNA)
where:
Base-Base interactions energy: -25.112
where: short stacking energy: -19.044
Base-Backbone interact. energy: -0.007
local terms energy: -22.838804
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -6.372
flat angles P-C4'-P energy: -2.549
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -42.572150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.572150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.572150 (E_RNA)
where:
Base-Base interactions energy: -18.244
where: short stacking energy: -13.845
Base-Backbone interact. energy: -0.165
local terms energy: -24.163702
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -3.739
flat angles P-C4'-P energy: -3.483
tors. eta vs tors. theta energy: -4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -40.974957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.974957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.974957 (E_RNA)
where:
Base-Base interactions energy: -17.545
where: short stacking energy: -17.545
Base-Backbone interact. energy: -0.003
local terms energy: -23.427603
where:
bonds (distance) C4'-P energy: -6.139
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.656
flat angles P-C4'-P energy: -2.467
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -41.563637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.563637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.563637 (E_RNA)
where:
Base-Base interactions energy: -15.176
where: short stacking energy: -15.176
Base-Backbone interact. energy: -0.000
local terms energy: -26.387483
where:
bonds (distance) C4'-P energy: -5.047
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -6.032
flat angles P-C4'-P energy: -3.907
tors. eta vs tors. theta energy: -4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -43.869034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.869034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.869034 (E_RNA)
where:
Base-Base interactions energy: -16.113
where: short stacking energy: -16.113
Base-Backbone interact. energy: -0.002
local terms energy: -27.754146
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.501
flat angles P-C4'-P energy: -3.223
tors. eta vs tors. theta energy: -4.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -48.725946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.725946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.725946 (E_RNA)
where:
Base-Base interactions energy: -20.501
where: short stacking energy: -20.501
Base-Backbone interact. energy: -0.000
local terms energy: -28.224546
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.187
flat angles P-C4'-P energy: -3.307
tors. eta vs tors. theta energy: -7.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -33.958834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.958834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.958834 (E_RNA)
where:
Base-Base interactions energy: -12.902
where: short stacking energy: -13.302
Base-Backbone interact. energy: -0.000
local terms energy: -21.056721
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -3.941
flat angles C4'-P-C4' energy: -6.140
flat angles P-C4'-P energy: -2.854
tors. eta vs tors. theta energy: -2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -36.479305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.479305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.479305 (E_RNA)
where:
Base-Base interactions energy: -14.067
where: short stacking energy: -14.067
Base-Backbone interact. energy: -0.000
local terms energy: -22.412162
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -5.566
flat angles P-C4'-P energy: -3.049
tors. eta vs tors. theta energy: -2.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -50.527212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.527212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.527212 (E_RNA)
where:
Base-Base interactions energy: -23.168
where: short stacking energy: -23.168
Base-Backbone interact. energy: -0.000
local terms energy: -27.358542
where:
bonds (distance) C4'-P energy: -5.241
bonds (distance) P-C4' energy: -6.206
flat angles C4'-P-C4' energy: -5.914
flat angles P-C4'-P energy: -3.555
tors. eta vs tors. theta energy: -6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -41.823942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.823942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.823942 (E_RNA)
where:
Base-Base interactions energy: -20.089
where: short stacking energy: -20.089
Base-Backbone interact. energy: -0.003
local terms energy: -21.731897
where:
bonds (distance) C4'-P energy: -4.496
bonds (distance) P-C4' energy: -5.777
flat angles C4'-P-C4' energy: -5.028
flat angles P-C4'-P energy: -3.258
tors. eta vs tors. theta energy: -3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -48.574425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.574425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.574425 (E_RNA)
where:
Base-Base interactions energy: -25.344
where: short stacking energy: -21.237
Base-Backbone interact. energy: -0.001
local terms energy: -23.228739
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.392
flat angles C4'-P-C4' energy: -5.328
flat angles P-C4'-P energy: -0.971
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: 4, replica: 4
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -45.162875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.162875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.162875 (E_RNA)
where:
Base-Base interactions energy: -22.113
where: short stacking energy: -16.634
Base-Backbone interact. energy: -0.131
local terms energy: -22.918604
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -5.529
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: -1.139
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: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -47.487039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.487039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.487039 (E_RNA)
where:
Base-Base interactions energy: -21.025
where: short stacking energy: -21.025
Base-Backbone interact. energy: -0.002
local terms energy: -26.459918
where:
bonds (distance) C4'-P energy: -4.400
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -6.248
flat angles P-C4'-P energy: -4.568
tors. eta vs tors. theta energy: -5.027
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: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -35.337076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.337076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.337076 (E_RNA)
where:
Base-Base interactions energy: -15.503
where: short stacking energy: -15.503
Base-Backbone interact. energy: -0.092
local terms energy: -19.742693
where:
bonds (distance) C4'-P energy: -4.888
bonds (distance) P-C4' energy: -3.775
flat angles C4'-P-C4' energy: -3.260
flat angles P-C4'-P energy: -3.692
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -40.218763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.218763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.218763 (E_RNA)
where:
Base-Base interactions energy: -17.873
where: short stacking energy: -14.863
Base-Backbone interact. energy: 0.286
local terms energy: -22.631626
where:
bonds (distance) C4'-P energy: -3.042
bonds (distance) P-C4' energy: -5.181
flat angles C4'-P-C4' energy: -6.171
flat angles P-C4'-P energy: -4.453
tors. eta vs tors. theta energy: -3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -34.603805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.603805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.603805 (E_RNA)
where:
Base-Base interactions energy: -11.535
where: short stacking energy: -11.535
Base-Backbone interact. energy: -0.000
local terms energy: -23.068717
where:
bonds (distance) C4'-P energy: -3.510
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -6.028
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -3.443
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: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -36.183709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.183709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.183709 (E_RNA)
where:
Base-Base interactions energy: -15.368
where: short stacking energy: -15.368
Base-Backbone interact. energy: -0.019
local terms energy: -20.796361
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -6.770
flat angles P-C4'-P energy: -0.070
tors. eta vs tors. theta energy: -1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -32.103639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.103639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.103639 (E_RNA)
where:
Base-Base interactions energy: -11.987
where: short stacking energy: -11.987
Base-Backbone interact. energy: -0.000
local terms energy: -20.116065
where:
bonds (distance) C4'-P energy: -4.996
bonds (distance) P-C4' energy: -5.083
flat angles C4'-P-C4' energy: -3.262
flat angles P-C4'-P energy: -4.284
tors. eta vs tors. theta energy: -2.491
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: 1, replica: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -46.279464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.279464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.279464 (E_RNA)
where:
Base-Base interactions energy: -25.429
where: short stacking energy: -12.232
Base-Backbone interact. energy: -0.002
local terms energy: -20.848571
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -6.355
flat angles C4'-P-C4' energy: -4.738
flat angles P-C4'-P energy: -2.259
tors. eta vs tors. theta energy: -1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -48.554914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.554914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.554914 (E_RNA)
where:
Base-Base interactions energy: -23.812
where: short stacking energy: -23.812
Base-Backbone interact. energy: -0.000
local terms energy: -24.743176
where:
bonds (distance) C4'-P energy: -4.275
bonds (distance) P-C4' energy: -3.389
flat angles C4'-P-C4' energy: -5.853
flat angles P-C4'-P energy: -3.611
tors. eta vs tors. theta energy: -7.615
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: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -44.842616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.842616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.842616 (E_RNA)
where:
Base-Base interactions energy: -18.403
where: short stacking energy: -18.403
Base-Backbone interact. energy: -0.003
local terms energy: -26.436400
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -5.566
flat angles C4'-P-C4' energy: -6.236
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -4.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -43.495751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.495751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.495751 (E_RNA)
where:
Base-Base interactions energy: -18.120
where: short stacking energy: -18.120
Base-Backbone interact. energy: -0.004
local terms energy: -25.372113
where:
bonds (distance) C4'-P energy: -4.337
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.412
flat angles P-C4'-P energy: -4.114
tors. eta vs tors. theta energy: -4.602
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: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -40.651237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.651237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.651237 (E_RNA)
where:
Base-Base interactions energy: -20.540
where: short stacking energy: -8.289
Base-Backbone interact. energy: -0.337
local terms energy: -19.773929
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -4.400
flat angles P-C4'-P energy: -2.861
tors. eta vs tors. theta energy: -0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -42.210302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.210302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.210302 (E_RNA)
where:
Base-Base interactions energy: -19.005
where: short stacking energy: -19.005
Base-Backbone interact. energy: -0.008
local terms energy: -23.197127
where:
bonds (distance) C4'-P energy: -4.806
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -6.101
flat angles P-C4'-P energy: -3.622
tors. eta vs tors. theta energy: -2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -41.688209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.688209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.688209 (E_RNA)
where:
Base-Base interactions energy: -18.323
where: short stacking energy: -18.323
Base-Backbone interact. energy: -0.000
local terms energy: -23.365340
where:
bonds (distance) C4'-P energy: -5.401
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -4.595
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: -3.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -43.630705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.630705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.630705 (E_RNA)
where:
Base-Base interactions energy: -19.523
where: short stacking energy: -19.523
Base-Backbone interact. energy: -0.000
local terms energy: -24.107528
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -6.409
flat angles P-C4'-P energy: -3.037
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: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -31.823423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.823423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.823423 (E_RNA)
where:
Base-Base interactions energy: -14.640
where: short stacking energy: -14.640
Base-Backbone interact. energy: -0.053
local terms energy: -17.129878
where:
bonds (distance) C4'-P energy: -3.361
bonds (distance) P-C4' energy: -2.703
flat angles C4'-P-C4' energy: -5.315
flat angles P-C4'-P energy: -3.614
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: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -34.158072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.158072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.158072 (E_RNA)
where:
Base-Base interactions energy: -12.973
where: short stacking energy: -12.973
Base-Backbone interact. energy: -0.054
local terms energy: -21.131531
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -4.463
flat angles C4'-P-C4' energy: -5.479
flat angles P-C4'-P energy: -3.147
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -50.091609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.091609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.091609 (E_RNA)
where:
Base-Base interactions energy: -24.569
where: short stacking energy: -19.679
Base-Backbone interact. energy: 0.896
local terms energy: -26.419098
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.939
flat angles P-C4'-P energy: -3.992
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -53.377408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.377408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.377408 (E_RNA)
where:
Base-Base interactions energy: -29.001
where: short stacking energy: -16.283
Base-Backbone interact. energy: -0.001
local terms energy: -24.374786
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -6.007
flat angles P-C4'-P energy: -4.192
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -46.816637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.816637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.816637 (E_RNA)
where:
Base-Base interactions energy: -18.611
where: short stacking energy: -18.611
Base-Backbone interact. energy: -0.000
local terms energy: -28.205384
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -4.984
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -6.233
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: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -41.621736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.621736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.621736 (E_RNA)
where:
Base-Base interactions energy: -16.713
where: short stacking energy: -16.713
Base-Backbone interact. energy: -0.000
local terms energy: -24.908675
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -7.147
flat angles C4'-P-C4' energy: -5.960
flat angles P-C4'-P energy: -4.405
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: 5, replica: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -38.846708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.846708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.846708 (E_RNA)
where:
Base-Base interactions energy: -20.740
where: short stacking energy: -10.404
Base-Backbone interact. energy: -0.005
local terms energy: -18.102372
where:
bonds (distance) C4'-P energy: -3.477
bonds (distance) P-C4' energy: -4.646
flat angles C4'-P-C4' energy: -5.566
flat angles P-C4'-P energy: -2.501
tors. eta vs tors. theta energy: -1.913
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: 5
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -41.647471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.647471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.647471 (E_RNA)
where:
Base-Base interactions energy: -16.364
where: short stacking energy: -16.364
Base-Backbone interact. energy: -0.000
local terms energy: -25.283589
where:
bonds (distance) C4'-P energy: -5.315
bonds (distance) P-C4' energy: -5.146
flat angles C4'-P-C4' energy: -6.128
flat angles P-C4'-P energy: -4.259
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -42.540098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.540098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.540098 (E_RNA)
where:
Base-Base interactions energy: -18.517
where: short stacking energy: -18.517
Base-Backbone interact. energy: -0.000
local terms energy: -24.023080
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -5.082
flat angles C4'-P-C4' energy: -4.274
flat angles P-C4'-P energy: -4.390
tors. eta vs tors. theta energy: -4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -30.367832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.367832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.367832 (E_RNA)
where:
Base-Base interactions energy: -9.598
where: short stacking energy: -9.598
Base-Backbone interact. energy: -0.012
local terms energy: -20.758052
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -5.767
flat angles C4'-P-C4' energy: -6.181
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: 1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -32.042272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.042272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.042272 (E_RNA)
where:
Base-Base interactions energy: -10.024
where: short stacking energy: -10.024
Base-Backbone interact. energy: -0.010
local terms energy: -22.008900
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -4.813
flat angles P-C4'-P energy: -3.144
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: 10, replica: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -25.902798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.902798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.902798 (E_RNA)
where:
Base-Base interactions energy: -9.805
where: short stacking energy: -4.943
Base-Backbone interact. energy: -0.141
local terms energy: -15.956650
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -4.850
flat angles C4'-P-C4' energy: -3.914
flat angles P-C4'-P energy: -1.370
tors. eta vs tors. theta energy: -0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -57.603169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.603169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.603169 (E_RNA)
where:
Base-Base interactions energy: -33.144
where: short stacking energy: -17.498
Base-Backbone interact. energy: -0.004
local terms energy: -24.455347
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -5.970
flat angles C4'-P-C4' energy: -6.034
flat angles P-C4'-P energy: -3.053
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: 2, replica: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -50.496751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.496751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.496751 (E_RNA)
where:
Base-Base interactions energy: -25.066
where: short stacking energy: -17.528
Base-Backbone interact. energy: -0.154
local terms energy: -25.276646
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -6.328
flat angles P-C4'-P energy: -3.948
tors. eta vs tors. theta energy: -3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -45.436525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.436525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.436525 (E_RNA)
where:
Base-Base interactions energy: -16.523
where: short stacking energy: -16.523
Base-Backbone interact. energy: -0.000
local terms energy: -28.913052
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.620
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -45.178120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.178120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.178120 (E_RNA)
where:
Base-Base interactions energy: -19.137
where: short stacking energy: -19.137
Base-Backbone interact. energy: -0.068
local terms energy: -25.973893
where:
bonds (distance) C4'-P energy: -4.383
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.993
flat angles P-C4'-P energy: -4.145
tors. eta vs tors. theta energy: -5.039
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: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -40.754334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.754334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.754334 (E_RNA)
where:
Base-Base interactions energy: -14.778
where: short stacking energy: -14.778
Base-Backbone interact. energy: -0.079
local terms energy: -25.897151
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -6.258
flat angles P-C4'-P energy: -3.538
tors. eta vs tors. theta energy: -4.136
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: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -38.679860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.679860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.679860 (E_RNA)
where:
Base-Base interactions energy: -13.089
where: short stacking energy: -13.089
Base-Backbone interact. energy: -0.006
local terms energy: -25.584833
where:
bonds (distance) C4'-P energy: -4.434
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.057
flat angles P-C4'-P energy: -3.752
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -42.197376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.197376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.197376 (E_RNA)
where:
Base-Base interactions energy: -18.220
where: short stacking energy: -18.220
Base-Backbone interact. energy: -0.000
local terms energy: -23.976866
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -2.969
flat angles C4'-P-C4' energy: -4.843
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -5.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -37.354889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.354889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.354889 (E_RNA)
where:
Base-Base interactions energy: -17.457
where: short stacking energy: -17.457
Base-Backbone interact. energy: -0.000
local terms energy: -19.898204
where:
bonds (distance) C4'-P energy: -3.389
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -2.966
flat angles P-C4'-P energy: -2.958
tors. eta vs tors. theta energy: -4.389
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: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -33.269344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.269344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.269344 (E_RNA)
where:
Base-Base interactions energy: -11.368
where: short stacking energy: -11.368
Base-Backbone interact. energy: -0.001
local terms energy: -21.900252
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -5.078
flat angles P-C4'-P energy: -1.744
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -35.267011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.267011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.267011 (E_RNA)
where:
Base-Base interactions energy: -12.174
where: short stacking energy: -12.174
Base-Backbone interact. energy: -0.000
local terms energy: -23.092748
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.111
flat angles P-C4'-P energy: -4.223
tors. eta vs tors. theta energy: -2.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -57.106291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.106291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.106291 (E_RNA)
where:
Base-Base interactions energy: -31.762
where: short stacking energy: -17.820
Base-Backbone interact. energy: -0.093
local terms energy: -25.251170
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.326
flat angles P-C4'-P energy: -3.055
tors. eta vs tors. theta energy: -2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -45.656910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.656910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.656910 (E_RNA)
where:
Base-Base interactions energy: -22.175
where: short stacking energy: -18.601
Base-Backbone interact. energy: -0.000
local terms energy: -23.481639
where:
bonds (distance) C4'-P energy: -4.532
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -5.075
flat angles P-C4'-P energy: -3.770
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -48.673902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.673902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.673902 (E_RNA)
where:
Base-Base interactions energy: -20.019
where: short stacking energy: -20.019
Base-Backbone interact. energy: -0.000
local terms energy: -28.655170
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.746
flat angles P-C4'-P energy: -4.236
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: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -41.635421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.635421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.635421 (E_RNA)
where:
Base-Base interactions energy: -18.343
where: short stacking energy: -13.749
Base-Backbone interact. energy: -0.025
local terms energy: -23.266769
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.292
flat angles P-C4'-P energy: -4.291
tors. eta vs tors. theta energy: -1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -40.562521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.562521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.562521 (E_RNA)
where:
Base-Base interactions energy: -18.454
where: short stacking energy: -18.454
Base-Backbone interact. energy: -0.006
local terms energy: -22.102158
where:
bonds (distance) C4'-P energy: -3.328
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.689
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -1.303
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: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -41.569835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.569835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.569835 (E_RNA)
where:
Base-Base interactions energy: -15.308
where: short stacking energy: -15.308
Base-Backbone interact. energy: -0.000
local terms energy: -26.261710
where:
bonds (distance) C4'-P energy: -4.454
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -4.157
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: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -38.007258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.007258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.007258 (E_RNA)
where:
Base-Base interactions energy: -13.089
where: short stacking energy: -13.089
Base-Backbone interact. energy: -0.001
local terms energy: -24.916544
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.508
flat angles P-C4'-P energy: -2.847
tors. eta vs tors. theta energy: -3.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -40.353772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.353772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.353772 (E_RNA)
where:
Base-Base interactions energy: -16.688
where: short stacking energy: -16.688
Base-Backbone interact. energy: -0.000
local terms energy: -23.665688
where:
bonds (distance) C4'-P energy: -5.791
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -4.860
flat angles P-C4'-P energy: -3.021
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -32.611610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.611610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.611610 (E_RNA)
where:
Base-Base interactions energy: -11.901
where: short stacking energy: -11.764
Base-Backbone interact. energy: -0.094
local terms energy: -20.616689
where:
bonds (distance) C4'-P energy: -2.147
bonds (distance) P-C4' energy: -5.273
flat angles C4'-P-C4' energy: -6.046
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: -2.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -36.491477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.491477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.491477 (E_RNA)
where:
Base-Base interactions energy: -15.844
where: short stacking energy: -12.368
Base-Backbone interact. energy: -0.000
local terms energy: -20.646920
where:
bonds (distance) C4'-P energy: -2.926
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.053
flat angles P-C4'-P energy: -3.043
tors. eta vs tors. theta energy: -3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -53.402529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.402529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.402529 (E_RNA)
where:
Base-Base interactions energy: -25.240
where: short stacking energy: -25.240
Base-Backbone interact. energy: -0.000
local terms energy: -28.162070
where:
bonds (distance) C4'-P energy: -4.569
bonds (distance) P-C4' energy: -5.861
flat angles C4'-P-C4' energy: -5.743
flat angles P-C4'-P energy: -4.225
tors. eta vs tors. theta energy: -7.764
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: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -40.789342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.789342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.789342 (E_RNA)
where:
Base-Base interactions energy: -18.272
where: short stacking energy: -15.106
Base-Backbone interact. energy: -0.001
local terms energy: -22.516338
where:
bonds (distance) C4'-P energy: -4.624
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -3.400
flat angles P-C4'-P energy: -3.833
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: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -47.885924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.885924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.885924 (E_RNA)
where:
Base-Base interactions energy: -24.466
where: short stacking energy: -13.494
Base-Backbone interact. energy: -0.001
local terms energy: -23.418697
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.678
flat angles C4'-P-C4' energy: -5.960
flat angles P-C4'-P energy: -4.200
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: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -37.095389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.095389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.095389 (E_RNA)
where:
Base-Base interactions energy: -18.452
where: short stacking energy: -4.300
Base-Backbone interact. energy: -0.039
local terms energy: -18.604278
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -5.537
flat angles C4'-P-C4' energy: -4.912
flat angles P-C4'-P energy: -3.313
tors. eta vs tors. theta energy: 0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -43.966886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.966886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.966886 (E_RNA)
where:
Base-Base interactions energy: -19.468
where: short stacking energy: -19.468
Base-Backbone interact. energy: -0.000
local terms energy: -24.498502
where:
bonds (distance) C4'-P energy: -4.036
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.696
flat angles P-C4'-P energy: -3.250
tors. eta vs tors. theta energy: -5.383
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: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -40.568697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.568697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.568697 (E_RNA)
where:
Base-Base interactions energy: -16.622
where: short stacking energy: -16.622
Base-Backbone interact. energy: -0.000
local terms energy: -23.946319
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -5.355
flat angles P-C4'-P energy: -2.831
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: 7, replica: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -35.482073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.482073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.482073 (E_RNA)
where:
Base-Base interactions energy: -13.179
where: short stacking energy: -13.179
Base-Backbone interact. energy: -0.099
local terms energy: -22.203185
where:
bonds (distance) C4'-P energy: -3.151
bonds (distance) P-C4' energy: -5.991
flat angles C4'-P-C4' energy: -6.146
flat angles P-C4'-P energy: -3.955
tors. eta vs tors. theta energy: -2.960
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: 8, replica: 1
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -35.943494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.943494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.943494 (E_RNA)
where:
Base-Base interactions energy: -20.165
where: short stacking energy: -3.692
Base-Backbone interact. energy: 0.309
local terms energy: -16.087671
where:
bonds (distance) C4'-P energy: -3.796
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.255
flat angles P-C4'-P energy: -3.198
tors. eta vs tors. theta energy: 3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -37.817355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.817355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.817355 (E_RNA)
where:
Base-Base interactions energy: -15.726
where: short stacking energy: -15.726
Base-Backbone interact. energy: -0.000
local terms energy: -22.091052
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -1.821
flat angles C4'-P-C4' energy: -6.068
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: -3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -38.390631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.390631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.390631 (E_RNA)
where:
Base-Base interactions energy: -14.044
where: short stacking energy: -13.338
Base-Backbone interact. energy: -0.645
local terms energy: -23.701610
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -3.211
flat angles P-C4'-P energy: -3.977
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: 1, replica: 6
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -53.154259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.154259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.154259 (E_RNA)
where:
Base-Base interactions energy: -24.967
where: short stacking energy: -24.967
Base-Backbone interact. energy: -0.000
local terms energy: -28.187253
where:
bonds (distance) C4'-P energy: -4.408
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.762
flat angles P-C4'-P energy: -4.495
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: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -45.606213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.606213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.606213 (E_RNA)
where:
Base-Base interactions energy: -20.056
where: short stacking energy: -20.056
Base-Backbone interact. energy: -0.075
local terms energy: -25.474533
where:
bonds (distance) C4'-P energy: -5.033
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -5.354
flat angles P-C4'-P energy: -4.217
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -48.549083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.549083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.549083 (E_RNA)
where:
Base-Base interactions energy: -22.162
where: short stacking energy: -22.162
Base-Backbone interact. energy: -0.000
local terms energy: -26.387018
where:
bonds (distance) C4'-P energy: -3.907
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -6.226
flat angles P-C4'-P energy: -4.737
tors. eta vs tors. theta energy: -5.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -42.492508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.492508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.492508 (E_RNA)
where:
Base-Base interactions energy: -17.131
where: short stacking energy: -17.131
Base-Backbone interact. energy: -0.047
local terms energy: -25.315226
where:
bonds (distance) C4'-P energy: -6.168
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.110
flat angles P-C4'-P energy: -4.972
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: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -40.220042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.220042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.220042 (E_RNA)
where:
Base-Base interactions energy: -19.749
where: short stacking energy: -19.749
Base-Backbone interact. energy: -0.000
local terms energy: -20.470524
where:
bonds (distance) C4'-P energy: -1.212
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -5.070
flat angles P-C4'-P energy: -4.051
tors. eta vs tors. theta energy: -3.913
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: 2
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -42.886619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.886619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.886619 (E_RNA)
where:
Base-Base interactions energy: -19.529
where: short stacking energy: -19.529
Base-Backbone interact. energy: -0.001
local terms energy: -23.357044
where:
bonds (distance) C4'-P energy: -3.050
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.637
flat angles P-C4'-P energy: -2.409
tors. eta vs tors. theta energy: -5.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -37.467520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.467520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.467520 (E_RNA)
where:
Base-Base interactions energy: -14.220
where: short stacking energy: -14.220
Base-Backbone interact. energy: -0.000
local terms energy: -23.247526
where:
bonds (distance) C4'-P energy: -5.705
bonds (distance) P-C4' energy: -4.684
flat angles C4'-P-C4' energy: -3.051
flat angles P-C4'-P energy: -4.478
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -35.877370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.877370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.877370 (E_RNA)
where:
Base-Base interactions energy: -11.086
where: short stacking energy: -11.086
Base-Backbone interact. energy: -0.000
local terms energy: -24.791381
where:
bonds (distance) C4'-P energy: -5.109
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.504
flat angles P-C4'-P energy: -3.068
tors. eta vs tors. theta energy: -4.890
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: 183
Temperature: 1.300000
Total energy: -31.124104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.124104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.124104 (E_RNA)
where:
Base-Base interactions energy: -8.630
where: short stacking energy: -8.630
Base-Backbone interact. energy: -0.000
local terms energy: -22.494318
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.780
flat angles P-C4'-P energy: -2.416
tors. eta vs tors. theta energy: -1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -36.551664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.551664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.551664 (E_RNA)
where:
Base-Base interactions energy: -15.908
where: short stacking energy: -14.379
Base-Backbone interact. energy: -0.000
local terms energy: -20.643727
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -5.345
flat angles C4'-P-C4' energy: -6.323
flat angles P-C4'-P energy: -2.492
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: 6
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -48.462718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.462718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.462718 (E_RNA)
where:
Base-Base interactions energy: -19.029
where: short stacking energy: -19.029
Base-Backbone interact. energy: -0.000
local terms energy: -29.433974
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.217
flat angles P-C4'-P energy: -4.527
tors. eta vs tors. theta energy: -7.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -55.727649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.727649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.727649 (E_RNA)
where:
Base-Base interactions energy: -33.522
where: short stacking energy: -19.127
Base-Backbone interact. energy: -0.166
local terms energy: -22.040097
where:
bonds (distance) C4'-P energy: -4.615
bonds (distance) P-C4' energy: -5.730
flat angles C4'-P-C4' energy: -4.997
flat angles P-C4'-P energy: -3.900
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: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -48.226834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.226834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.226834 (E_RNA)
where:
Base-Base interactions energy: -21.479
where: short stacking energy: -21.479
Base-Backbone interact. energy: -0.000
local terms energy: -26.748002
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -3.686
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: -7.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -42.163592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.163592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.163592 (E_RNA)
where:
Base-Base interactions energy: -17.057
where: short stacking energy: -17.057
Base-Backbone interact. energy: -0.000
local terms energy: -25.106921
where:
bonds (distance) C4'-P energy: -4.276
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.412
flat angles P-C4'-P energy: -4.224
tors. eta vs tors. theta energy: -3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -35.531105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.531105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.531105 (E_RNA)
where:
Base-Base interactions energy: -13.648
where: short stacking energy: -13.648
Base-Backbone interact. energy: -0.043
local terms energy: -21.839384
where:
bonds (distance) C4'-P energy: -4.587
bonds (distance) P-C4' energy: -4.797
flat angles C4'-P-C4' energy: -6.486
flat angles P-C4'-P energy: -3.755
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -41.000146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.000146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.000146 (E_RNA)
where:
Base-Base interactions energy: -20.462
where: short stacking energy: -20.462
Base-Backbone interact. energy: 1.148
local terms energy: -21.686303
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -1.862
flat angles P-C4'-P energy: -4.294
tors. eta vs tors. theta energy: -3.295
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: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -40.509423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.509423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.509423 (E_RNA)
where:
Base-Base interactions energy: -19.740
where: short stacking energy: -19.740
Base-Backbone interact. energy: -0.091
local terms energy: -20.678511
where:
bonds (distance) C4'-P energy: -2.223
bonds (distance) P-C4' energy: -4.847
flat angles C4'-P-C4' energy: -4.835
flat angles P-C4'-P energy: -3.449
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: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -35.928192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.928192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.928192 (E_RNA)
where:
Base-Base interactions energy: -14.401
where: short stacking energy: -14.401
Base-Backbone interact. energy: -0.000
local terms energy: -21.527263
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -3.779
flat angles C4'-P-C4' energy: -5.177
flat angles P-C4'-P energy: -2.733
tors. eta vs tors. theta energy: -4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -36.489740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.489740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.489740 (E_RNA)
where:
Base-Base interactions energy: -16.258
where: short stacking energy: -16.258
Base-Backbone interact. energy: -0.000
local terms energy: -20.231456
where:
bonds (distance) C4'-P energy: -2.731
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -1.283
flat angles P-C4'-P energy: -3.436
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -30.849112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.849112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.849112 (E_RNA)
where:
Base-Base interactions energy: -9.999
where: short stacking energy: -9.999
Base-Backbone interact. energy: 0.270
local terms energy: -21.120631
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -4.399
flat angles P-C4'-P energy: -4.057
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: 6
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -48.257199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.257199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.257199 (E_RNA)
where:
Base-Base interactions energy: -22.655
where: short stacking energy: -22.655
Base-Backbone interact. energy: -0.000
local terms energy: -25.601887
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.153
flat angles C4'-P-C4' energy: -5.534
flat angles P-C4'-P energy: -4.943
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: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -46.023382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.023382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.023382 (E_RNA)
where:
Base-Base interactions energy: -19.238
where: short stacking energy: -19.238
Base-Backbone interact. energy: -0.011
local terms energy: -26.774249
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -6.018
flat angles P-C4'-P energy: -3.186
tors. eta vs tors. theta energy: -5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -46.819083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.819083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.819083 (E_RNA)
where:
Base-Base interactions energy: -20.840
where: short stacking energy: -19.896
Base-Backbone interact. energy: -0.000
local terms energy: -25.979234
where:
bonds (distance) C4'-P energy: -4.665
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -5.171
flat angles P-C4'-P energy: -4.521
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: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -38.601057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.601057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.601057 (E_RNA)
where:
Base-Base interactions energy: -16.190
where: short stacking energy: -16.190
Base-Backbone interact. energy: -0.002
local terms energy: -22.409447
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.203
flat angles P-C4'-P energy: -2.720
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: 5, replica: 8
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -47.872663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.872663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.872663 (E_RNA)
where:
Base-Base interactions energy: -25.340
where: short stacking energy: -13.372
Base-Backbone interact. energy: -0.005
local terms energy: -22.527651
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.270
flat angles P-C4'-P energy: -3.627
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: 6, replica: 7
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -32.311536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.311536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.311536 (E_RNA)
where:
Base-Base interactions energy: -11.041
where: short stacking energy: -11.041
Base-Backbone interact. energy: -0.001
local terms energy: -21.270159
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -4.664
flat angles P-C4'-P energy: -2.689
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: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -43.576760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.576760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.576760 (E_RNA)
where:
Base-Base interactions energy: -20.862
where: short stacking energy: -20.862
Base-Backbone interact. energy: -0.000
local terms energy: -22.715225
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -1.733
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -40.173571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.173571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.173571 (E_RNA)
where:
Base-Base interactions energy: -17.428
where: short stacking energy: -17.428
Base-Backbone interact. energy: -0.000
local terms energy: -22.745151
where:
bonds (distance) C4'-P energy: -4.797
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.086
flat angles P-C4'-P energy: -2.947
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -31.504857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.504857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.504857 (E_RNA)
where:
Base-Base interactions energy: -9.808
where: short stacking energy: -9.541
Base-Backbone interact. energy: -0.108
local terms energy: -21.588971
where:
bonds (distance) C4'-P energy: -4.383
bonds (distance) P-C4' energy: -5.135
flat angles C4'-P-C4' energy: -6.314
flat angles P-C4'-P energy: -3.300
tors. eta vs tors. theta energy: -2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -34.973148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.973148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.973148 (E_RNA)
where:
Base-Base interactions energy: -11.294
where: short stacking energy: -11.294
Base-Backbone interact. energy: -0.004
local terms energy: -23.674721
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -3.940
flat angles P-C4'-P energy: -4.042
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -41.968183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.968183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.968183 (E_RNA)
where:
Base-Base interactions energy: -13.126
where: short stacking energy: -13.126
Base-Backbone interact. energy: -0.000
local terms energy: -28.841383
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.970
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -40.924616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.924616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.924616 (E_RNA)
where:
Base-Base interactions energy: -21.812
where: short stacking energy: -9.485
Base-Backbone interact. energy: -0.113
local terms energy: -18.999704
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.535
flat angles P-C4'-P energy: -3.315
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: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -54.545075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.545075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.545075 (E_RNA)
where:
Base-Base interactions energy: -25.647
where: short stacking energy: -25.647
Base-Backbone interact. energy: -0.000
local terms energy: -28.897788
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.995
flat angles P-C4'-P energy: -4.345
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: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -33.978762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.978762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.978762 (E_RNA)
where:
Base-Base interactions energy: -13.018
where: short stacking energy: -13.018
Base-Backbone interact. energy: -0.000
local terms energy: -20.961035
where:
bonds (distance) C4'-P energy: -4.616
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -3.826
flat angles P-C4'-P energy: -2.830
tors. eta vs tors. theta energy: -3.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -38.995934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.995934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.995934 (E_RNA)
where:
Base-Base interactions energy: -19.121
where: short stacking energy: -17.822
Base-Backbone interact. energy: -0.046
local terms energy: -19.829623
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -2.231
flat angles P-C4'-P energy: -5.281
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: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -36.912811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.912811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.912811 (E_RNA)
where:
Base-Base interactions energy: -12.398
where: short stacking energy: -12.398
Base-Backbone interact. energy: 0.192
local terms energy: -24.707700
where:
bonds (distance) C4'-P energy: -4.214
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.903
flat angles P-C4'-P energy: -3.282
tors. eta vs tors. theta energy: -3.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -37.697297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.697297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.697297 (E_RNA)
where:
Base-Base interactions energy: -15.855
where: short stacking energy: -15.855
Base-Backbone interact. energy: -0.001
local terms energy: -21.841507
where:
bonds (distance) C4'-P energy: -1.328
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -4.618
flat angles P-C4'-P energy: -2.987
tors. eta vs tors. theta energy: -6.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -37.158948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.158948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.158948 (E_RNA)
where:
Base-Base interactions energy: -13.933
where: short stacking energy: -13.933
Base-Backbone interact. energy: -0.001
local terms energy: -23.225925
where:
bonds (distance) C4'-P energy: -3.759
bonds (distance) P-C4' energy: -3.962
flat angles C4'-P-C4' energy: -5.955
flat angles P-C4'-P energy: -3.900
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: 9, replica: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -34.619761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.619761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.619761 (E_RNA)
where:
Base-Base interactions energy: -13.499
where: short stacking energy: -9.412
Base-Backbone interact. energy: -0.039
local terms energy: -21.081506
where:
bonds (distance) C4'-P energy: -5.315
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -3.571
flat angles P-C4'-P energy: -4.357
tors. eta vs tors. theta energy: -0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -29.847189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.847189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.847189 (E_RNA)
where:
Base-Base interactions energy: -9.539
where: short stacking energy: -9.539
Base-Backbone interact. energy: -0.000
local terms energy: -20.307828
where:
bonds (distance) C4'-P energy: -5.589
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.292
flat angles P-C4'-P energy: -0.772
tors. eta vs tors. theta energy: -2.463
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: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -46.938486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.938486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.938486 (E_RNA)
where:
Base-Base interactions energy: -26.093
where: short stacking energy: -11.748
Base-Backbone interact. energy: -0.095
local terms energy: -20.750625
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -4.916
flat angles P-C4'-P energy: -2.304
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -43.217488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.217488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.217488 (E_RNA)
where:
Base-Base interactions energy: -20.927
where: short stacking energy: -14.120
Base-Backbone interact. energy: -0.036
local terms energy: -22.254412
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.728
flat angles P-C4'-P energy: -2.356
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -39.050748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.050748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.050748 (E_RNA)
where:
Base-Base interactions energy: -15.574
where: short stacking energy: -15.574
Base-Backbone interact. energy: -0.023
local terms energy: -23.453829
where:
bonds (distance) C4'-P energy: -5.241
bonds (distance) P-C4' energy: -5.923
flat angles C4'-P-C4' energy: -5.915
flat angles P-C4'-P energy: -3.654
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: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -37.083990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.083990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.083990 (E_RNA)
where:
Base-Base interactions energy: -13.627
where: short stacking energy: -13.627
Base-Backbone interact. energy: -0.001
local terms energy: -23.455495
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.214
flat angles P-C4'-P energy: -4.866
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: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -40.686966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.686966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.686966 (E_RNA)
where:
Base-Base interactions energy: -15.955
where: short stacking energy: -15.955
Base-Backbone interact. energy: -0.000
local terms energy: -24.732277
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -5.948
flat angles C4'-P-C4' energy: -5.980
flat angles P-C4'-P energy: -3.759
tors. eta vs tors. theta energy: -4.070
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: 6, replica: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -37.414817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.414817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.414817 (E_RNA)
where:
Base-Base interactions energy: -13.921
where: short stacking energy: -11.597
Base-Backbone interact. energy: -0.003
local terms energy: -23.490606
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -4.882
flat angles C4'-P-C4' energy: -5.776
flat angles P-C4'-P energy: -4.193
tors. eta vs tors. theta energy: -2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -39.547505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.547505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.547505 (E_RNA)
where:
Base-Base interactions energy: -17.942
where: short stacking energy: -17.942
Base-Backbone interact. energy: -0.002
local terms energy: -21.603647
where:
bonds (distance) C4'-P energy: -4.052
bonds (distance) P-C4' energy: -5.653
flat angles C4'-P-C4' energy: -5.572
flat angles P-C4'-P energy: -2.940
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -40.076563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.076563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.076563 (E_RNA)
where:
Base-Base interactions energy: -18.131
where: short stacking energy: -11.063
Base-Backbone interact. energy: -0.000
local terms energy: -21.945363
where:
bonds (distance) C4'-P energy: -5.651
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -5.441
flat angles P-C4'-P energy: -2.651
tors. eta vs tors. theta energy: -2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -37.897957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.897957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.897957 (E_RNA)
where:
Base-Base interactions energy: -15.611
where: short stacking energy: -15.611
Base-Backbone interact. energy: -0.000
local terms energy: -22.287137
where:
bonds (distance) C4'-P energy: -3.055
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -2.991
flat angles P-C4'-P energy: -3.924
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -34.946242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.946242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.946242 (E_RNA)
where:
Base-Base interactions energy: -14.141
where: short stacking energy: -14.141
Base-Backbone interact. energy: -0.000
local terms energy: -20.804932
where:
bonds (distance) C4'-P energy: -4.276
bonds (distance) P-C4' energy: -4.290
flat angles C4'-P-C4' energy: -5.473
flat angles P-C4'-P energy: -1.560
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -48.969617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.969617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.969617 (E_RNA)
where:
Base-Base interactions energy: -21.389
where: short stacking energy: -21.389
Base-Backbone interact. energy: -0.000
local terms energy: -27.580510
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.091
flat angles P-C4'-P energy: -3.494
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -52.673288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.673288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.673288 (E_RNA)
where:
Base-Base interactions energy: -24.872
where: short stacking energy: -24.872
Base-Backbone interact. energy: -0.000
local terms energy: -27.801290
where:
bonds (distance) C4'-P energy: -4.639
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.222
flat angles P-C4'-P energy: -3.951
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: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -46.114806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.114806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.114806 (E_RNA)
where:
Base-Base interactions energy: -21.089
where: short stacking energy: -21.089
Base-Backbone interact. energy: -0.002
local terms energy: -25.024067
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -5.923
flat angles P-C4'-P energy: -1.870
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: 4, replica: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -47.470109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.470109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.470109 (E_RNA)
where:
Base-Base interactions energy: -22.233
where: short stacking energy: -22.233
Base-Backbone interact. energy: -0.000
local terms energy: -25.236655
where:
bonds (distance) C4'-P energy: -5.216
bonds (distance) P-C4' energy: -6.653
flat angles C4'-P-C4' energy: -4.812
flat angles P-C4'-P energy: -2.317
tors. eta vs tors. theta energy: -6.238
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: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -39.476850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.476850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.476850 (E_RNA)
where:
Base-Base interactions energy: -16.120
where: short stacking energy: -16.120
Base-Backbone interact. energy: -0.010
local terms energy: -23.346063
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -4.473
flat angles P-C4'-P energy: -2.010
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: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -44.564950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.564950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.564950 (E_RNA)
where:
Base-Base interactions energy: -22.523
where: short stacking energy: -22.523
Base-Backbone interact. energy: -0.000
local terms energy: -22.042327
where:
bonds (distance) C4'-P energy: -4.877
bonds (distance) P-C4' energy: -2.898
flat angles C4'-P-C4' energy: -5.050
flat angles P-C4'-P energy: -3.801
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: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -33.385758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.385758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.385758 (E_RNA)
where:
Base-Base interactions energy: -13.906
where: short stacking energy: -13.906
Base-Backbone interact. energy: -0.001
local terms energy: -19.479346
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -3.636
flat angles P-C4'-P energy: -3.271
tors. eta vs tors. theta energy: -0.727
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: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -36.550901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.550901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.550901 (E_RNA)
where:
Base-Base interactions energy: -12.019
where: short stacking energy: -12.019
Base-Backbone interact. energy: -0.080
local terms energy: -24.451730
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.558
flat angles P-C4'-P energy: -4.135
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -44.324922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.324922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.324922 (E_RNA)
where:
Base-Base interactions energy: -22.459
where: short stacking energy: -9.187
Base-Backbone interact. energy: -0.002
local terms energy: -21.864158
where:
bonds (distance) C4'-P energy: -4.284
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -3.452
flat angles P-C4'-P energy: -3.977
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -31.176148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.176148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.176148 (E_RNA)
where:
Base-Base interactions energy: -9.016
where: short stacking energy: -9.016
Base-Backbone interact. energy: -0.000
local terms energy: -22.159970
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -5.895
flat angles C4'-P-C4' energy: -3.881
flat angles P-C4'-P energy: -4.157
tors. eta vs tors. theta energy: -2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -54.564352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.564352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.564352 (E_RNA)
where:
Base-Base interactions energy: -33.130
where: short stacking energy: -19.750
Base-Backbone interact. energy: -0.002
local terms energy: -21.432169
where:
bonds (distance) C4'-P energy: -4.508
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -4.608
flat angles P-C4'-P energy: -2.762
tors. eta vs tors. theta energy: -2.915
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: 6
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -52.354638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.354638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.354638 (E_RNA)
where:
Base-Base interactions energy: -23.833
where: short stacking energy: -23.833
Base-Backbone interact. energy: -0.000
local terms energy: -28.521821
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -4.505
flat angles P-C4'-P energy: -4.648
tors. eta vs tors. theta energy: -7.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -42.586426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.586426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.586426 (E_RNA)
where:
Base-Base interactions energy: -18.901
where: short stacking energy: -18.901
Base-Backbone interact. energy: -0.007
local terms energy: -23.678532
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -5.941
flat angles C4'-P-C4' energy: -6.036
flat angles P-C4'-P energy: -2.032
tors. eta vs tors. theta energy: -4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -47.031573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.031573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.031573 (E_RNA)
where:
Base-Base interactions energy: -20.486
where: short stacking energy: -20.486
Base-Backbone interact. energy: -0.000
local terms energy: -26.545937
where:
bonds (distance) C4'-P energy: -5.481
bonds (distance) P-C4' energy: -4.688
flat angles C4'-P-C4' energy: -5.196
flat angles P-C4'-P energy: -3.194
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: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -42.681124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.681124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.681124 (E_RNA)
where:
Base-Base interactions energy: -19.752
where: short stacking energy: -19.752
Base-Backbone interact. energy: -0.000
local terms energy: -22.929444
where:
bonds (distance) C4'-P energy: -3.547
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -5.998
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -39.117404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.117404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.117404 (E_RNA)
where:
Base-Base interactions energy: -15.621
where: short stacking energy: -15.621
Base-Backbone interact. energy: -0.003
local terms energy: -23.493370
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -3.825
flat angles P-C4'-P energy: -3.231
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: 7, replica: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -36.570439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.570439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.570439 (E_RNA)
where:
Base-Base interactions energy: -13.855
where: short stacking energy: -13.855
Base-Backbone interact. energy: -0.000
local terms energy: -22.714948
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -3.027
flat angles C4'-P-C4' energy: -5.359
flat angles P-C4'-P energy: -2.870
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: 8, replica: 9
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -30.591190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.591190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.591190 (E_RNA)
where:
Base-Base interactions energy: -9.342
where: short stacking energy: -9.342
Base-Backbone interact. energy: -0.005
local terms energy: -21.244093
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.909
flat angles P-C4'-P energy: -1.729
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -36.954239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.954239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.954239 (E_RNA)
where:
Base-Base interactions energy: -15.985
where: short stacking energy: -15.985
Base-Backbone interact. energy: -0.000
local terms energy: -20.969579
where:
bonds (distance) C4'-P energy: -3.804
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -5.044
flat angles P-C4'-P energy: -2.747
tors. eta vs tors. theta energy: -3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -33.879813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.879813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.879813 (E_RNA)
where:
Base-Base interactions energy: -13.840
where: short stacking energy: -13.840
Base-Backbone interact. energy: -0.000
local terms energy: -20.039625
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -5.569
flat angles C4'-P-C4' energy: -2.011
flat angles P-C4'-P energy: -3.846
tors. eta vs tors. theta energy: -2.608
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: 6
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -48.824436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.824436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.824436 (E_RNA)
where:
Base-Base interactions energy: -20.378
where: short stacking energy: -20.378
Base-Backbone interact. energy: -0.000
local terms energy: -28.445977
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.928
flat angles P-C4'-P energy: -4.836
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: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -53.484880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.484880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.484880 (E_RNA)
where:
Base-Base interactions energy: -29.350
where: short stacking energy: -16.767
Base-Backbone interact. energy: -0.000
local terms energy: -24.135011
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -5.509
flat angles C4'-P-C4' energy: -5.203
flat angles P-C4'-P energy: -4.462
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: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -49.965926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.965926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.965926 (E_RNA)
where:
Base-Base interactions energy: -25.215
where: short stacking energy: -25.215
Base-Backbone interact. energy: -0.000
local terms energy: -24.750767
where:
bonds (distance) C4'-P energy: -3.630
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.575
flat angles P-C4'-P energy: -2.800
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: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -41.096527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.096527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.096527 (E_RNA)
where:
Base-Base interactions energy: -17.327
where: short stacking energy: -17.327
Base-Backbone interact. energy: -0.000
local terms energy: -23.769703
where:
bonds (distance) C4'-P energy: -3.250
bonds (distance) P-C4' energy: -4.614
flat angles C4'-P-C4' energy: -6.251
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -40.902760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.902760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.902760 (E_RNA)
where:
Base-Base interactions energy: -15.809
where: short stacking energy: -15.809
Base-Backbone interact. energy: -0.002
local terms energy: -25.091236
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.748
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -2.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -42.030043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.030043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.030043 (E_RNA)
where:
Base-Base interactions energy: -17.735
where: short stacking energy: -17.735
Base-Backbone interact. energy: -0.021
local terms energy: -24.274361
where:
bonds (distance) C4'-P energy: -6.139
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.873
flat angles P-C4'-P energy: -3.007
tors. eta vs tors. theta energy: -4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -37.161763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.161763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.161763 (E_RNA)
where:
Base-Base interactions energy: -16.260
where: short stacking energy: -16.260
Base-Backbone interact. energy: -0.000
local terms energy: -20.901049
where:
bonds (distance) C4'-P energy: -1.398
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.385
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -2.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -39.095418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.095418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.095418 (E_RNA)
where:
Base-Base interactions energy: -17.608
where: short stacking energy: -17.608
Base-Backbone interact. energy: -0.000
local terms energy: -21.487438
where:
bonds (distance) C4'-P energy: -1.932
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -6.400
flat angles P-C4'-P energy: -3.952
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -37.144022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.144022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.144022 (E_RNA)
where:
Base-Base interactions energy: -16.551
where: short stacking energy: -16.551
Base-Backbone interact. energy: -0.009
local terms energy: -20.584056
where:
bonds (distance) C4'-P energy: -4.276
bonds (distance) P-C4' energy: -4.162
flat angles C4'-P-C4' energy: -5.391
flat angles P-C4'-P energy: -4.489
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -35.113984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.113984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.113984 (E_RNA)
where:
Base-Base interactions energy: -12.467
where: short stacking energy: -12.467
Base-Backbone interact. energy: -0.000
local terms energy: -22.647332
where:
bonds (distance) C4'-P energy: -4.499
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -5.704
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -43.239787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.239787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.239787 (E_RNA)
where:
Base-Base interactions energy: -24.474
where: short stacking energy: -9.479
Base-Backbone interact. energy: -0.006
local terms energy: -18.759488
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -5.594
flat angles C4'-P-C4' energy: -5.246
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: 1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -46.059236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.059236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.059236 (E_RNA)
where:
Base-Base interactions energy: -18.369
where: short stacking energy: -18.369
Base-Backbone interact. energy: -0.011
local terms energy: -27.679821
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.883
flat angles P-C4'-P energy: -4.597
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: 3, replica: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -49.995290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.995290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.995290 (E_RNA)
where:
Base-Base interactions energy: -28.301
where: short stacking energy: -9.181
Base-Backbone interact. energy: -0.115
local terms energy: -21.578763
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.351
flat angles C4'-P-C4' energy: -3.850
flat angles P-C4'-P energy: -3.542
tors. eta vs tors. theta energy: -2.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -42.978781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.978781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.978781 (E_RNA)
where:
Base-Base interactions energy: -20.624
where: short stacking energy: -20.624
Base-Backbone interact. energy: -0.000
local terms energy: -22.354775
where:
bonds (distance) C4'-P energy: -2.711
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -3.759
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -39.475150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.475150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.475150 (E_RNA)
where:
Base-Base interactions energy: -15.371
where: short stacking energy: -15.371
Base-Backbone interact. energy: -0.017
local terms energy: -24.086367
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -5.298
flat angles C4'-P-C4' energy: -4.850
flat angles P-C4'-P energy: -3.887
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: 6, replica: 9
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -37.884722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.884722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.884722 (E_RNA)
where:
Base-Base interactions energy: -17.040
where: short stacking energy: -12.181
Base-Backbone interact. energy: -0.281
local terms energy: -20.563230
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -4.417
flat angles P-C4'-P energy: -3.461
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: 7, replica: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -36.773187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.773187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.773187 (E_RNA)
where:
Base-Base interactions energy: -15.446
where: short stacking energy: -15.446
Base-Backbone interact. energy: -0.000
local terms energy: -21.327588
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -4.681
flat angles C4'-P-C4' energy: -4.026
flat angles P-C4'-P energy: -2.937
tors. eta vs tors. theta energy: -3.872
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: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -35.715805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.715805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.715805 (E_RNA)
where:
Base-Base interactions energy: -14.172
where: short stacking energy: -14.172
Base-Backbone interact. energy: -0.012
local terms energy: -21.532072
where:
bonds (distance) C4'-P energy: -6.168
bonds (distance) P-C4' energy: -2.110
flat angles C4'-P-C4' energy: -5.727
flat angles P-C4'-P energy: -3.950
tors. eta vs tors. theta energy: -3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -38.273749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.273749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.273749 (E_RNA)
where:
Base-Base interactions energy: -15.142
where: short stacking energy: -15.142
Base-Backbone interact. energy: 1.349
local terms energy: -24.480721
where:
bonds (distance) C4'-P energy: -6.462
bonds (distance) P-C4' energy: -5.175
flat angles C4'-P-C4' energy: -4.927
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -31.510559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.510559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.510559 (E_RNA)
where:
Base-Base interactions energy: -8.965
where: short stacking energy: -7.416
Base-Backbone interact. energy: -0.731
local terms energy: -21.814706
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -3.738
flat angles P-C4'-P energy: -3.821
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -43.484196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.484196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.484196 (E_RNA)
where:
Base-Base interactions energy: -22.904
where: short stacking energy: -9.523
Base-Backbone interact. energy: -0.068
local terms energy: -20.512003
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -2.847
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -0.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -48.006030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.006030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.006030 (E_RNA)
where:
Base-Base interactions energy: -20.708
where: short stacking energy: -20.708
Base-Backbone interact. energy: -0.000
local terms energy: -27.297831
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -6.352
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -3.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -51.196987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.196987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.196987 (E_RNA)
where:
Base-Base interactions energy: -23.792
where: short stacking energy: -23.792
Base-Backbone interact. energy: -0.000
local terms energy: -27.404500
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -4.534
flat angles P-C4'-P energy: -3.386
tors. eta vs tors. theta energy: -7.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -42.329511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.329511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.329511 (E_RNA)
where:
Base-Base interactions energy: -17.863
where: short stacking energy: -12.932
Base-Backbone interact. energy: -0.092
local terms energy: -24.374068
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -5.798
flat angles P-C4'-P energy: -4.027
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: 5, replica: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -41.724063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.724063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.724063 (E_RNA)
where:
Base-Base interactions energy: -15.281
where: short stacking energy: -15.281
Base-Backbone interact. energy: -0.000
local terms energy: -26.443196
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -6.340
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -39.962062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.962062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.962062 (E_RNA)
where:
Base-Base interactions energy: -16.496
where: short stacking energy: -16.496
Base-Backbone interact. energy: -0.000
local terms energy: -23.466422
where:
bonds (distance) C4'-P energy: -4.731
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -4.770
flat angles P-C4'-P energy: -2.145
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -35.374104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.374104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.374104 (E_RNA)
where:
Base-Base interactions energy: -14.530
where: short stacking energy: -14.530
Base-Backbone interact. energy: -0.010
local terms energy: -20.833258
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -5.671
flat angles C4'-P-C4' energy: -4.614
flat angles P-C4'-P energy: -2.527
tors. eta vs tors. theta energy: -2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -39.620946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.620946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.620946 (E_RNA)
where:
Base-Base interactions energy: -17.792
where: short stacking energy: -17.792
Base-Backbone interact. energy: -0.000
local terms energy: -21.829158
where:
bonds (distance) C4'-P energy: -4.665
bonds (distance) P-C4' energy: -5.435
flat angles C4'-P-C4' energy: -5.573
flat angles P-C4'-P energy: -1.147
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -33.787854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.787854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.787854 (E_RNA)
where:
Base-Base interactions energy: -12.040
where: short stacking energy: -12.040
Base-Backbone interact. energy: -0.000
local terms energy: -21.747636
where:
bonds (distance) C4'-P energy: -4.727
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -2.319
tors. eta vs tors. theta energy: -4.197
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: 2
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -28.779608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.779608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.779608 (E_RNA)
where:
Base-Base interactions energy: -8.399
where: short stacking energy: -8.399
Base-Backbone interact. energy: -0.004
local terms energy: -20.377357
where:
bonds (distance) C4'-P energy: -5.055
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -3.554
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -43.309070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.309070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.309070 (E_RNA)
where:
Base-Base interactions energy: -15.539
where: short stacking energy: -15.539
Base-Backbone interact. energy: -0.012
local terms energy: -27.757830
where:
bonds (distance) C4'-P energy: -4.425
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -6.118
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -5.316
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: 193
Temperature: 0.950000
Total energy: -43.478575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.478575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.478575 (E_RNA)
where:
Base-Base interactions energy: -19.548
where: short stacking energy: -19.548
Base-Backbone interact. energy: -0.077
local terms energy: -23.853846
where:
bonds (distance) C4'-P energy: -4.631
bonds (distance) P-C4' energy: -6.153
flat angles C4'-P-C4' energy: -4.357
flat angles P-C4'-P energy: -3.687
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -46.456038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.456038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.456038 (E_RNA)
where:
Base-Base interactions energy: -20.933
where: short stacking energy: -20.933
Base-Backbone interact. energy: -0.001
local terms energy: -25.522514
where:
bonds (distance) C4'-P energy: -5.225
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -5.964
flat angles P-C4'-P energy: -4.057
tors. eta vs tors. theta energy: -4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -40.700239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.700239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.700239 (E_RNA)
where:
Base-Base interactions energy: -22.463
where: short stacking energy: -10.848
Base-Backbone interact. energy: -0.000
local terms energy: -18.236689
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -5.642
flat angles P-C4'-P energy: -0.409
tors. eta vs tors. theta energy: -0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -41.573141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.573141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.573141 (E_RNA)
where:
Base-Base interactions energy: -16.807
where: short stacking energy: -16.807
Base-Backbone interact. energy: -0.000
local terms energy: -24.766467
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -6.124
flat angles C4'-P-C4' energy: -6.344
flat angles P-C4'-P energy: -2.384
tors. eta vs tors. theta energy: -5.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -38.959325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.959325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.959325 (E_RNA)
where:
Base-Base interactions energy: -17.240
where: short stacking energy: -17.240
Base-Backbone interact. energy: -0.003
local terms energy: -21.716708
where:
bonds (distance) C4'-P energy: -3.253
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -5.253
flat angles P-C4'-P energy: -2.918
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: 7, replica: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -37.127074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.127074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.127074 (E_RNA)
where:
Base-Base interactions energy: -14.777
where: short stacking energy: -14.777
Base-Backbone interact. energy: -0.001
local terms energy: -22.349247
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.020
flat angles P-C4'-P energy: -3.923
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: 8, replica: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -35.367180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.367180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.367180 (E_RNA)
where:
Base-Base interactions energy: -13.061
where: short stacking energy: -13.061
Base-Backbone interact. energy: -0.000
local terms energy: -22.305372
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -5.931
flat angles C4'-P-C4' energy: -5.354
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -36.697325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.697325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.697325 (E_RNA)
where:
Base-Base interactions energy: -12.976
where: short stacking energy: -12.976
Base-Backbone interact. energy: -0.000
local terms energy: -23.721497
where:
bonds (distance) C4'-P energy: -4.292
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -5.602
flat angles P-C4'-P energy: -4.017
tors. eta vs tors. theta energy: -2.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -33.439398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.439398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.439398 (E_RNA)
where:
Base-Base interactions energy: -11.840
where: short stacking energy: -11.840
Base-Backbone interact. energy: -0.000
local terms energy: -21.599084
where:
bonds (distance) C4'-P energy: -4.425
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -6.564
flat angles P-C4'-P energy: -3.050
tors. eta vs tors. theta energy: -1.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -50.179787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.179787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.179787 (E_RNA)
where:
Base-Base interactions energy: -21.482
where: short stacking energy: -21.482
Base-Backbone interact. energy: -0.044
local terms energy: -28.653829
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -5.882
flat angles P-C4'-P energy: -4.640
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -43.094758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.094758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.094758 (E_RNA)
where:
Base-Base interactions energy: -17.797
where: short stacking energy: -17.797
Base-Backbone interact. energy: -0.000
local terms energy: -25.297258
where:
bonds (distance) C4'-P energy: -5.252
bonds (distance) P-C4' energy: -5.125
flat angles C4'-P-C4' energy: -6.013
flat angles P-C4'-P energy: -2.186
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: 3, replica: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -39.348960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.348960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.348960 (E_RNA)
where:
Base-Base interactions energy: -16.468
where: short stacking energy: -16.468
Base-Backbone interact. energy: -0.039
local terms energy: -22.842339
where:
bonds (distance) C4'-P energy: -4.400
bonds (distance) P-C4' energy: -5.438
flat angles C4'-P-C4' energy: -6.044
flat angles P-C4'-P energy: -2.914
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -44.172116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.172116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.172116 (E_RNA)
where:
Base-Base interactions energy: -15.814
where: short stacking energy: -15.814
Base-Backbone interact. energy: -1.274
local terms energy: -27.084931
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.962
flat angles P-C4'-P energy: -4.047
tors. eta vs tors. theta energy: -4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -39.910014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.910014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.910014 (E_RNA)
where:
Base-Base interactions energy: -17.329
where: short stacking energy: -17.329
Base-Backbone interact. energy: -0.000
local terms energy: -22.580978
where:
bonds (distance) C4'-P energy: -5.141
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.670
flat angles P-C4'-P energy: -1.539
tors. eta vs tors. theta energy: -3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -41.161737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.161737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.161737 (E_RNA)
where:
Base-Base interactions energy: -18.181
where: short stacking energy: -18.181
Base-Backbone interact. energy: -0.010
local terms energy: -22.969903
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -5.643
flat angles P-C4'-P energy: -3.472
tors. eta vs tors. theta energy: -3.147
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: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -30.828187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.828187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.828187 (E_RNA)
where:
Base-Base interactions energy: -7.914
where: short stacking energy: -7.914
Base-Backbone interact. energy: -0.006
local terms energy: -22.907303
where:
bonds (distance) C4'-P energy: -5.688
bonds (distance) P-C4' energy: -6.678
flat angles C4'-P-C4' energy: -5.815
flat angles P-C4'-P energy: -2.641
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: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -43.085696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.085696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.085696 (E_RNA)
where:
Base-Base interactions energy: -20.960
where: short stacking energy: -15.068
Base-Backbone interact. energy: -0.001
local terms energy: -22.125150
where:
bonds (distance) C4'-P energy: -3.208
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.128
flat angles P-C4'-P energy: -3.575
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -31.472763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.472763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.472763 (E_RNA)
where:
Base-Base interactions energy: -11.982
where: short stacking energy: -9.806
Base-Backbone interact. energy: -0.010
local terms energy: -19.480992
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -4.099
flat angles P-C4'-P energy: -2.688
tors. eta vs tors. theta energy: -0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -30.446595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.446595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.446595 (E_RNA)
where:
Base-Base interactions energy: -11.644
where: short stacking energy: -10.816
Base-Backbone interact. energy: -0.049
local terms energy: -18.753533
where:
bonds (distance) C4'-P energy: -5.128
bonds (distance) P-C4' energy: -4.976
flat angles C4'-P-C4' energy: -5.869
flat angles P-C4'-P energy: -3.680
tors. eta vs tors. theta energy: 0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -54.646015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.646015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.646015 (E_RNA)
where:
Base-Base interactions energy: -25.969
where: short stacking energy: -25.969
Base-Backbone interact. energy: -0.000
local terms energy: -28.677461
where:
bonds (distance) C4'-P energy: -5.001
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -6.075
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -41.574077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.574077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.574077 (E_RNA)
where:
Base-Base interactions energy: -17.081
where: short stacking energy: -17.081
Base-Backbone interact. energy: -0.000
local terms energy: -24.492951
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.910
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -2.945
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: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -50.526695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.526695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.526695 (E_RNA)
where:
Base-Base interactions energy: -24.915
where: short stacking energy: -24.915
Base-Backbone interact. energy: -0.000
local terms energy: -25.611997
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -4.920
flat angles C4'-P-C4' energy: -4.407
flat angles P-C4'-P energy: -4.185
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: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -42.384787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.384787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.384787 (E_RNA)
where:
Base-Base interactions energy: -18.469
where: short stacking energy: -18.469
Base-Backbone interact. energy: -0.000
local terms energy: -23.915742
where:
bonds (distance) C4'-P energy: -4.309
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -4.613
flat angles P-C4'-P energy: -4.340
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -44.445013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.445013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.445013 (E_RNA)
where:
Base-Base interactions energy: -19.579
where: short stacking energy: -12.583
Base-Backbone interact. energy: -0.014
local terms energy: -24.851622
where:
bonds (distance) C4'-P energy: -5.340
bonds (distance) P-C4' energy: -6.355
flat angles C4'-P-C4' energy: -4.966
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -3.469
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: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -39.563670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.563670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.563670 (E_RNA)
where:
Base-Base interactions energy: -16.797
where: short stacking energy: -16.797
Base-Backbone interact. energy: -0.000
local terms energy: -22.766347
where:
bonds (distance) C4'-P energy: -2.525
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -5.521
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -34.353950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.353950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.353950 (E_RNA)
where:
Base-Base interactions energy: -12.955
where: short stacking energy: -12.955
Base-Backbone interact. energy: -0.000
local terms energy: -21.399280
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -4.451
flat angles C4'-P-C4' energy: -6.165
flat angles P-C4'-P energy: -2.958
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: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -36.609489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.609489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.609489 (E_RNA)
where:
Base-Base interactions energy: -16.357
where: short stacking energy: -14.927
Base-Backbone interact. energy: -0.000
local terms energy: -20.252259
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -3.719
flat angles P-C4'-P energy: -3.525
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: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -38.606740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.606740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.606740 (E_RNA)
where:
Base-Base interactions energy: -18.473
where: short stacking energy: -18.473
Base-Backbone interact. energy: -0.063
local terms energy: -20.070616
where:
bonds (distance) C4'-P energy: -3.944
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.670
flat angles P-C4'-P energy: -4.251
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -33.504818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.504818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.504818 (E_RNA)
where:
Base-Base interactions energy: -16.919
where: short stacking energy: -16.323
Base-Backbone interact. energy: 0.484
local terms energy: -17.070018
where:
bonds (distance) C4'-P energy: -4.168
bonds (distance) P-C4' energy: -4.825
flat angles C4'-P-C4' energy: -4.420
flat angles P-C4'-P energy: -2.369
tors. eta vs tors. theta energy: -1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -50.752665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.752665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.752665 (E_RNA)
where:
Base-Base interactions energy: -22.727
where: short stacking energy: -22.727
Base-Backbone interact. energy: -0.000
local terms energy: -28.025927
where:
bonds (distance) C4'-P energy: -4.337
bonds (distance) P-C4' energy: -6.367
flat angles C4'-P-C4' energy: -6.118
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -6.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -47.582028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.582028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.582028 (E_RNA)
where:
Base-Base interactions energy: -19.180
where: short stacking energy: -19.180
Base-Backbone interact. energy: -0.000
local terms energy: -28.401706
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -5.586
flat angles P-C4'-P energy: -4.345
tors. eta vs tors. theta energy: -5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -46.099629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.099629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.099629 (E_RNA)
where:
Base-Base interactions energy: -22.209
where: short stacking energy: -11.668
Base-Backbone interact. energy: -0.087
local terms energy: -23.803886
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -4.491
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: -2.681
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: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -39.336830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.336830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.336830 (E_RNA)
where:
Base-Base interactions energy: -15.253
where: short stacking energy: -15.253
Base-Backbone interact. energy: -0.000
local terms energy: -24.084280
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.594
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -37.685503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.685503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.685503 (E_RNA)
where:
Base-Base interactions energy: -15.630
where: short stacking energy: -15.630
Base-Backbone interact. energy: -0.094
local terms energy: -21.961097
where:
bonds (distance) C4'-P energy: -3.816
bonds (distance) P-C4' energy: -5.748
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -4.529
tors. eta vs tors. theta energy: -3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -32.592633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.592633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.592633 (E_RNA)
where:
Base-Base interactions energy: -11.905
where: short stacking energy: -11.905
Base-Backbone interact. energy: -0.020
local terms energy: -20.667827
where:
bonds (distance) C4'-P energy: -4.835
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.777
flat angles P-C4'-P energy: -2.300
tors. eta vs tors. theta energy: -1.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -38.554411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.554411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.554411 (E_RNA)
where:
Base-Base interactions energy: -17.199
where: short stacking energy: -17.199
Base-Backbone interact. energy: -0.000
local terms energy: -21.354910
where:
bonds (distance) C4'-P energy: -0.007
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.571
flat angles P-C4'-P energy: -3.166
tors. eta vs tors. theta energy: -4.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -37.602690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.602690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.602690 (E_RNA)
where:
Base-Base interactions energy: -16.739
where: short stacking energy: -16.739
Base-Backbone interact. energy: -0.000
local terms energy: -20.863299
where:
bonds (distance) C4'-P energy: -4.441
bonds (distance) P-C4' energy: -4.751
flat angles C4'-P-C4' energy: -3.955
flat angles P-C4'-P energy: -2.695
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: 9, replica: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -44.074835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.074835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.074835 (E_RNA)
where:
Base-Base interactions energy: -21.705
where: short stacking energy: -13.128
Base-Backbone interact. energy: -0.090
local terms energy: -22.280191
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -3.785
flat angles C4'-P-C4' energy: -4.501
flat angles P-C4'-P energy: -4.799
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -32.925810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.925810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.925810 (E_RNA)
where:
Base-Base interactions energy: -15.390
where: short stacking energy: -15.390
Base-Backbone interact. energy: -0.000
local terms energy: -17.535896
where:
bonds (distance) C4'-P energy: -1.460
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.338
flat angles P-C4'-P energy: -1.797
tors. eta vs tors. theta energy: -3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -54.709751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.709751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.709751 (E_RNA)
where:
Base-Base interactions energy: -25.522
where: short stacking energy: -25.522
Base-Backbone interact. energy: -0.000
local terms energy: -29.187482
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -6.554
flat angles P-C4'-P energy: -2.915
tors. eta vs tors. theta energy: -7.802
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: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -45.501391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.501391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.501391 (E_RNA)
where:
Base-Base interactions energy: -19.502
where: short stacking energy: -19.502
Base-Backbone interact. energy: -0.000
local terms energy: -25.999774
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.732
flat angles P-C4'-P energy: -2.465
tors. eta vs tors. theta energy: -4.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -42.780781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.780781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.780781 (E_RNA)
where:
Base-Base interactions energy: -17.721
where: short stacking energy: -17.721
Base-Backbone interact. energy: -0.752
local terms energy: -24.307671
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.728
flat angles P-C4'-P energy: -3.414
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -44.425145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.425145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.425145 (E_RNA)
where:
Base-Base interactions energy: -18.073
where: short stacking energy: -18.073
Base-Backbone interact. energy: -0.000
local terms energy: -26.351648
where:
bonds (distance) C4'-P energy: -5.017
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.141
flat angles P-C4'-P energy: -4.559
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -43.611596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.611596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.611596 (E_RNA)
where:
Base-Base interactions energy: -16.778
where: short stacking energy: -16.778
Base-Backbone interact. energy: -0.000
local terms energy: -26.833963
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.364
flat angles P-C4'-P energy: -3.524
tors. eta vs tors. theta energy: -6.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -38.499817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.499817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.499817 (E_RNA)
where:
Base-Base interactions energy: -14.369
where: short stacking energy: -14.369
Base-Backbone interact. energy: -0.023
local terms energy: -24.108108
where:
bonds (distance) C4'-P energy: -6.160
bonds (distance) P-C4' energy: -4.199
flat angles C4'-P-C4' energy: -6.162
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -2.590
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: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -45.320321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.320321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.320321 (E_RNA)
where:
Base-Base interactions energy: -27.416
where: short stacking energy: -10.190
Base-Backbone interact. energy: -0.362
local terms energy: -17.542305
where:
bonds (distance) C4'-P energy: -2.712
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -6.587
flat angles P-C4'-P energy: -1.213
tors. eta vs tors. theta energy: -0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -40.773041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.773041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.773041 (E_RNA)
where:
Base-Base interactions energy: -18.186
where: short stacking energy: -18.186
Base-Backbone interact. energy: -0.000
local terms energy: -22.586843
where:
bonds (distance) C4'-P energy: -4.313
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -4.812
flat angles P-C4'-P energy: -2.979
tors. eta vs tors. theta energy: -3.843
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: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -38.286981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.286981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.286981 (E_RNA)
where:
Base-Base interactions energy: -13.703
where: short stacking energy: -13.703
Base-Backbone interact. energy: -0.000
local terms energy: -24.583357
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -3.416
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -4.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -34.806981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.806981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.806981 (E_RNA)
where:
Base-Base interactions energy: -14.183
where: short stacking energy: -14.183
Base-Backbone interact. energy: -0.000
local terms energy: -20.624305
where:
bonds (distance) C4'-P energy: -2.744
bonds (distance) P-C4' energy: -4.428
flat angles C4'-P-C4' energy: -6.329
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: -2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -53.438205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.438205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.438205 (E_RNA)
where:
Base-Base interactions energy: -26.927
where: short stacking energy: -20.368
Base-Backbone interact. energy: -0.001
local terms energy: -26.510440
where:
bonds (distance) C4'-P energy: -5.029
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -5.802
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -40.556163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.556163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.556163 (E_RNA)
where:
Base-Base interactions energy: -23.945
where: short stacking energy: -7.571
Base-Backbone interact. energy: -0.095
local terms energy: -16.516380
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -4.500
flat angles P-C4'-P energy: -2.117
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: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -47.454800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.454800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.454800 (E_RNA)
where:
Base-Base interactions energy: -19.885
where: short stacking energy: -19.885
Base-Backbone interact. energy: -0.000
local terms energy: -27.569824
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.560
flat angles P-C4'-P energy: -4.425
tors. eta vs tors. theta energy: -5.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -44.242585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.242585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.242585 (E_RNA)
where:
Base-Base interactions energy: -21.137
where: short stacking energy: -21.137
Base-Backbone interact. energy: -0.000
local terms energy: -23.105968
where:
bonds (distance) C4'-P energy: -4.888
bonds (distance) P-C4' energy: -3.972
flat angles C4'-P-C4' energy: -5.793
flat angles P-C4'-P energy: -2.708
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: 5, replica: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -36.712617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.712617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.712617 (E_RNA)
where:
Base-Base interactions energy: -14.642
where: short stacking energy: -12.389
Base-Backbone interact. energy: -0.034
local terms energy: -22.037299
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -6.442
flat angles C4'-P-C4' energy: -5.813
flat angles P-C4'-P energy: -2.340
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -37.898699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.898699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.898699 (E_RNA)
where:
Base-Base interactions energy: -16.123
where: short stacking energy: -13.025
Base-Backbone interact. energy: -0.035
local terms energy: -21.740922
where:
bonds (distance) C4'-P energy: -5.982
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.090
flat angles P-C4'-P energy: -3.670
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: 7, replica: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -39.313310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.313310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.313310 (E_RNA)
where:
Base-Base interactions energy: -13.884
where: short stacking energy: -13.884
Base-Backbone interact. energy: -0.002
local terms energy: -25.427961
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.184
flat angles P-C4'-P energy: -4.019
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: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -32.206753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.206753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.206753 (E_RNA)
where:
Base-Base interactions energy: -12.534
where: short stacking energy: -12.534
Base-Backbone interact. energy: -0.005
local terms energy: -19.668496
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -0.726
flat angles P-C4'-P energy: -3.679
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: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -35.578019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.578019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.578019 (E_RNA)
where:
Base-Base interactions energy: -16.391
where: short stacking energy: -16.391
Base-Backbone interact. energy: -0.031
local terms energy: -19.156802
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -4.659
flat angles P-C4'-P energy: -1.545
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: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -31.719857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.719857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.719857 (E_RNA)
where:
Base-Base interactions energy: -14.613
where: short stacking energy: -14.477
Base-Backbone interact. energy: -0.323
local terms energy: -16.783982
where:
bonds (distance) C4'-P energy: -2.152
bonds (distance) P-C4' energy: -2.743
flat angles C4'-P-C4' energy: -4.172
flat angles P-C4'-P energy: -4.746
tors. eta vs tors. theta energy: -2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -52.046777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.046777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.046777 (E_RNA)
where:
Base-Base interactions energy: -27.015
where: short stacking energy: -19.659
Base-Backbone interact. energy: -0.000
local terms energy: -25.031349
where:
bonds (distance) C4'-P energy: -4.314
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -4.324
flat angles P-C4'-P energy: -5.438
tors. eta vs tors. theta energy: -4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -45.845257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.845257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.845257 (E_RNA)
where:
Base-Base interactions energy: -20.872
where: short stacking energy: -20.872
Base-Backbone interact. energy: -0.000
local terms energy: -24.972730
where:
bonds (distance) C4'-P energy: -5.650
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.363
flat angles P-C4'-P energy: -0.799
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: 3, replica: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -42.326758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.326758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.326758 (E_RNA)
where:
Base-Base interactions energy: -16.525
where: short stacking energy: -13.555
Base-Backbone interact. energy: -0.000
local terms energy: -25.801149
where:
bonds (distance) C4'-P energy: -6.106
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -5.456
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -2.631
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: 1
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -47.703436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.703436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.703436 (E_RNA)
where:
Base-Base interactions energy: -20.638
where: short stacking energy: -20.638
Base-Backbone interact. energy: -0.000
local terms energy: -27.065154
where:
bonds (distance) C4'-P energy: -5.099
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.278
flat angles P-C4'-P energy: -3.849
tors. eta vs tors. theta energy: -4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -39.323244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.323244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.323244 (E_RNA)
where:
Base-Base interactions energy: -18.550
where: short stacking energy: -18.550
Base-Backbone interact. energy: -0.002
local terms energy: -20.771350
where:
bonds (distance) C4'-P energy: -0.707
bonds (distance) P-C4' energy: -5.734
flat angles C4'-P-C4' energy: -5.252
flat angles P-C4'-P energy: -4.233
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: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -35.334775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.334775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.334775 (E_RNA)
where:
Base-Base interactions energy: -13.519
where: short stacking energy: -13.519
Base-Backbone interact. energy: -0.030
local terms energy: -21.786125
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -5.503
flat angles P-C4'-P energy: -3.527
tors. eta vs tors. theta energy: -1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -40.013727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.013727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.013727 (E_RNA)
where:
Base-Base interactions energy: -13.368
where: short stacking energy: -13.368
Base-Backbone interact. energy: -0.002
local terms energy: -26.643562
where:
bonds (distance) C4'-P energy: -5.252
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.677
flat angles P-C4'-P energy: -3.621
tors. eta vs tors. theta energy: -4.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -36.856370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.856370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.856370 (E_RNA)
where:
Base-Base interactions energy: -16.101
where: short stacking energy: -16.101
Base-Backbone interact. energy: -0.000
local terms energy: -20.755274
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -4.329
flat angles P-C4'-P energy: -3.260
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: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -36.716203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.716203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.716203 (E_RNA)
where:
Base-Base interactions energy: -15.481
where: short stacking energy: -12.754
Base-Backbone interact. energy: -0.935
local terms energy: -20.300090
where:
bonds (distance) C4'-P energy: -1.390
bonds (distance) P-C4' energy: -5.730
flat angles C4'-P-C4' energy: -6.490
flat angles P-C4'-P energy: -2.922
tors. eta vs tors. theta energy: -3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -34.236661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.236661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.236661 (E_RNA)
where:
Base-Base interactions energy: -10.159
where: short stacking energy: -10.159
Base-Backbone interact. energy: -0.012
local terms energy: -24.065655
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.550
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -1.007
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: 6
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -43.296466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.296466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.296466 (E_RNA)
where:
Base-Base interactions energy: -21.647
where: short stacking energy: -14.442
Base-Backbone interact. energy: -0.000
local terms energy: -21.648862
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.085
flat angles C4'-P-C4' energy: -6.383
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -39.377855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.377855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.377855 (E_RNA)
where:
Base-Base interactions energy: -15.395
where: short stacking energy: -10.772
Base-Backbone interact. energy: -0.067
local terms energy: -23.915838
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -5.088
flat angles P-C4'-P energy: -3.476
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -44.628518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.628518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.628518 (E_RNA)
where:
Base-Base interactions energy: -18.709
where: short stacking energy: -18.709
Base-Backbone interact. energy: -0.000
local terms energy: -25.919475
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -6.131
flat angles P-C4'-P energy: -3.660
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: 4, replica: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -45.230173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.230173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.230173 (E_RNA)
where:
Base-Base interactions energy: -18.008
where: short stacking energy: -18.008
Base-Backbone interact. energy: -0.000
local terms energy: -27.222108
where:
bonds (distance) C4'-P energy: -3.635
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.287
flat angles P-C4'-P energy: -3.992
tors. eta vs tors. theta energy: -6.433
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: 200
Temperature: 1.100000
Total energy: -39.628309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.628309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.628309 (E_RNA)
where:
Base-Base interactions energy: -13.997
where: short stacking energy: -13.997
Base-Backbone interact. energy: -0.000
local terms energy: -25.631433
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -5.177
flat angles P-C4'-P energy: -3.379
tors. eta vs tors. theta energy: -4.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -35.199374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.199374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.199374 (E_RNA)
where:
Base-Base interactions energy: -11.127
where: short stacking energy: -11.127
Base-Backbone interact. energy: -0.002
local terms energy: -24.070488
where:
bonds (distance) C4'-P energy: -5.295
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.144
flat angles P-C4'-P energy: -3.522
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: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -40.844934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.844934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.844934 (E_RNA)
where:
Base-Base interactions energy: -19.637
where: short stacking energy: -3.976
Base-Backbone interact. energy: -0.904
local terms energy: -20.304391
where:
bonds (distance) C4'-P energy: -3.477
bonds (distance) P-C4' energy: -5.681
flat angles C4'-P-C4' energy: -5.094
flat angles P-C4'-P energy: -4.138
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: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -39.310878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.310878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.310878 (E_RNA)
where:
Base-Base interactions energy: -17.084
where: short stacking energy: -17.084
Base-Backbone interact. energy: -0.535
local terms energy: -21.691322
where:
bonds (distance) C4'-P energy: -0.731
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -4.399
flat angles P-C4'-P energy: -4.520
tors. eta vs tors. theta energy: -5.369
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: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -34.127566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.127566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.127566 (E_RNA)
where:
Base-Base interactions energy: -14.628
where: short stacking energy: -14.628
Base-Backbone interact. energy: -0.213
local terms energy: -19.286339
where:
bonds (distance) C4'-P energy: -4.238
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -3.444
flat angles P-C4'-P energy: -3.220
tors. eta vs tors. theta energy: -1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -34.543752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.543752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.543752 (E_RNA)
where:
Base-Base interactions energy: -11.914
where: short stacking energy: -11.914
Base-Backbone interact. energy: -0.000
local terms energy: -22.629996
where:
bonds (distance) C4'-P energy: -3.291
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.048
flat angles P-C4'-P energy: -2.406
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -45.176424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.176424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.176424 (E_RNA)
where:
Base-Base interactions energy: -23.709
where: short stacking energy: -12.487
Base-Backbone interact. energy: -0.008
local terms energy: -21.459778
where:
bonds (distance) C4'-P energy: -4.921
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.164
flat angles P-C4'-P energy: -2.703
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: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -40.279097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.279097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.279097 (E_RNA)
where:
Base-Base interactions energy: -14.585
where: short stacking energy: -14.585
Base-Backbone interact. energy: -0.000
local terms energy: -25.693872
where:
bonds (distance) C4'-P energy: -4.540
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.815
flat angles P-C4'-P energy: -5.326
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: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -43.039757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.039757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.039757 (E_RNA)
where:
Base-Base interactions energy: -19.319
where: short stacking energy: -19.319
Base-Backbone interact. energy: -0.000
local terms energy: -23.720507
where:
bonds (distance) C4'-P energy: -4.525
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.318
flat angles P-C4'-P energy: -2.689
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -41.385293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.385293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.385293 (E_RNA)
where:
Base-Base interactions energy: -18.017
where: short stacking energy: -18.017
Base-Backbone interact. energy: -0.000
local terms energy: -23.367773
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -5.680
flat angles C4'-P-C4' energy: -5.122
flat angles P-C4'-P energy: -2.088
tors. eta vs tors. theta energy: -5.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -41.014058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.014058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.014058 (E_RNA)
where:
Base-Base interactions energy: -17.374
where: short stacking energy: -17.374
Base-Backbone interact. energy: -0.000
local terms energy: -23.639879
where:
bonds (distance) C4'-P energy: -3.928
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -4.086
flat angles P-C4'-P energy: -4.347
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -37.824936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.824936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.824936 (E_RNA)
where:
Base-Base interactions energy: -19.654
where: short stacking energy: -15.421
Base-Backbone interact. energy: -0.100
local terms energy: -18.070495
where:
bonds (distance) C4'-P energy: -2.942
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.289
flat angles P-C4'-P energy: -1.495
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -40.881085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.881085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.881085 (E_RNA)
where:
Base-Base interactions energy: -14.059
where: short stacking energy: -14.059
Base-Backbone interact. energy: -0.000
local terms energy: -26.821885
where:
bonds (distance) C4'-P energy: -3.626
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -6.210
flat angles P-C4'-P energy: -4.029
tors. eta vs tors. theta energy: -6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -41.531302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.531302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.531302 (E_RNA)
where:
Base-Base interactions energy: -19.706
where: short stacking energy: -15.391
Base-Backbone interact. energy: -0.004
local terms energy: -21.821303
where:
bonds (distance) C4'-P energy: -4.628
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -4.497
flat angles P-C4'-P energy: -4.493
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: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -40.898473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.898473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.898473 (E_RNA)
where:
Base-Base interactions energy: -17.505
where: short stacking energy: -17.505
Base-Backbone interact. energy: -0.000
local terms energy: -23.393375
where:
bonds (distance) C4'-P energy: -4.135
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -4.463
flat angles P-C4'-P energy: -3.442
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: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -39.970014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.970014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.970014 (E_RNA)
where:
Base-Base interactions energy: -14.638
where: short stacking energy: -14.638
Base-Backbone interact. energy: -0.000
local terms energy: -25.332157
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.935
flat angles P-C4'-P energy: -2.379
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: 1, replica: 3
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -46.493873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.493873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.493873 (E_RNA)
where:
Base-Base interactions energy: -19.381
where: short stacking energy: -19.381
Base-Backbone interact. energy: -0.006
local terms energy: -27.106405
where:
bonds (distance) C4'-P energy: -6.462
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -6.396
flat angles P-C4'-P energy: -4.039
tors. eta vs tors. theta energy: -3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -36.744633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.744633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.744633 (E_RNA)
where:
Base-Base interactions energy: -14.686
where: short stacking energy: -14.686
Base-Backbone interact. energy: -0.101
local terms energy: -21.958229
where:
bonds (distance) C4'-P energy: -4.169
bonds (distance) P-C4' energy: -3.948
flat angles C4'-P-C4' energy: -5.192
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: -3.812
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: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -45.194902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.194902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.194902 (E_RNA)
where:
Base-Base interactions energy: -21.871
where: short stacking energy: -21.871
Base-Backbone interact. energy: -0.000
local terms energy: -23.323784
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -4.032
flat angles P-C4'-P energy: -1.666
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: 4, replica: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -51.439060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.439060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.439060 (E_RNA)
where:
Base-Base interactions energy: -24.064
where: short stacking energy: -24.064
Base-Backbone interact. energy: -0.000
local terms energy: -27.375193
where:
bonds (distance) C4'-P energy: -4.383
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -4.349
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -7.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -39.686014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.686014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.686014 (E_RNA)
where:
Base-Base interactions energy: -20.219
where: short stacking energy: -9.361
Base-Backbone interact. energy: -0.006
local terms energy: -19.460342
where:
bonds (distance) C4'-P energy: -4.541
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -4.722
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: 1.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -34.377330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.377330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.377330 (E_RNA)
where:
Base-Base interactions energy: -14.676
where: short stacking energy: -14.676
Base-Backbone interact. energy: -0.063
local terms energy: -19.638765
where:
bonds (distance) C4'-P energy: -4.218
bonds (distance) P-C4' energy: -6.118
flat angles C4'-P-C4' energy: -5.503
flat angles P-C4'-P energy: -1.169
tors. eta vs tors. theta energy: -2.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -36.176282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.176282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.176282 (E_RNA)
where:
Base-Base interactions energy: -11.726
where: short stacking energy: -11.726
Base-Backbone interact. energy: -0.054
local terms energy: -24.396830
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -5.993
flat angles P-C4'-P energy: -4.615
tors. eta vs tors. theta energy: -2.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -32.334003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.334003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.334003 (E_RNA)
where:
Base-Base interactions energy: -14.103
where: short stacking energy: -14.103
Base-Backbone interact. energy: -0.004
local terms energy: -18.227084
where:
bonds (distance) C4'-P energy: -4.639
bonds (distance) P-C4' energy: -4.917
flat angles C4'-P-C4' energy: -5.463
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: -0.016
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: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -37.367379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.367379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.367379 (E_RNA)
where:
Base-Base interactions energy: -16.932
where: short stacking energy: -11.176
Base-Backbone interact. energy: -0.004
local terms energy: -20.431899
where:
bonds (distance) C4'-P energy: -4.864
bonds (distance) P-C4' energy: -5.840
flat angles C4'-P-C4' energy: -4.107
flat angles P-C4'-P energy: -2.572
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -35.926562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.926562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.926562 (E_RNA)
where:
Base-Base interactions energy: -16.819
where: short stacking energy: -3.329
Base-Backbone interact. energy: -0.018
local terms energy: -19.089741
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -4.578
flat angles P-C4'-P energy: -2.827
tors. eta vs tors. theta energy: 0.815
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: 203
Temperature: 0.900000
Total energy: -53.114321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.114321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.114321 (E_RNA)
where:
Base-Base interactions energy: -25.577
where: short stacking energy: -25.577
Base-Backbone interact. energy: -0.000
local terms energy: -27.536832
where:
bonds (distance) C4'-P energy: -4.169
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -6.588
flat angles P-C4'-P energy: -3.292
tors. eta vs tors. theta energy: -6.355
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: 203
Temperature: 0.950000
Total energy: -49.898248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.898248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.898248 (E_RNA)
where:
Base-Base interactions energy: -24.107
where: short stacking energy: -20.618
Base-Backbone interact. energy: -0.057
local terms energy: -25.734107
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -6.096
flat angles P-C4'-P energy: -4.018
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: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -43.087899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.087899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.087899 (E_RNA)
where:
Base-Base interactions energy: -17.865
where: short stacking energy: -17.865
Base-Backbone interact. energy: -0.000
local terms energy: -25.222691
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.618
flat angles P-C4'-P energy: -4.056
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: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -40.726227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.726227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.726227 (E_RNA)
where:
Base-Base interactions energy: -21.986
where: short stacking energy: -8.666
Base-Backbone interact. energy: -0.163
local terms energy: -18.576984
where:
bonds (distance) C4'-P energy: -5.233
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.426
flat angles P-C4'-P energy: -2.012
tors. eta vs tors. theta energy: 0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -40.696203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.696203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.696203 (E_RNA)
where:
Base-Base interactions energy: -15.548
where: short stacking energy: -15.548
Base-Backbone interact. energy: -0.001
local terms energy: -25.147346
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -3.863
flat angles P-C4'-P energy: -4.496
tors. eta vs tors. theta energy: -4.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -37.510629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.510629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.510629 (E_RNA)
where:
Base-Base interactions energy: -19.850
where: short stacking energy: -10.489
Base-Backbone interact. energy: -0.139
local terms energy: -17.521703
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -4.293
flat angles C4'-P-C4' energy: -2.295
flat angles P-C4'-P energy: -4.114
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: 7, replica: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -40.439592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.439592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.439592 (E_RNA)
where:
Base-Base interactions energy: -17.649
where: short stacking energy: -17.649
Base-Backbone interact. energy: -0.013
local terms energy: -22.777920
where:
bonds (distance) C4'-P energy: -2.942
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -6.207
flat angles P-C4'-P energy: -3.244
tors. eta vs tors. theta energy: -5.045
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: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -36.743763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.743763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.743763 (E_RNA)
where:
Base-Base interactions energy: -13.303
where: short stacking energy: -13.303
Base-Backbone interact. energy: -0.000
local terms energy: -23.440739
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -5.112
flat angles C4'-P-C4' energy: -5.181
flat angles P-C4'-P energy: -3.273
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: 9, replica: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -36.102477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.102477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.102477 (E_RNA)
where:
Base-Base interactions energy: -14.644
where: short stacking energy: -14.644
Base-Backbone interact. energy: -0.001
local terms energy: -21.457862
where:
bonds (distance) C4'-P energy: -5.207
bonds (distance) P-C4' energy: -3.482
flat angles C4'-P-C4' energy: -5.459
flat angles P-C4'-P energy: -2.785
tors. eta vs tors. theta energy: -4.526
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: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -29.351228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.351228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.351228 (E_RNA)
where:
Base-Base interactions energy: -11.436
where: short stacking energy: -11.436
Base-Backbone interact. energy: -0.039
local terms energy: -17.875429
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -4.917
flat angles C4'-P-C4' energy: -4.094
flat angles P-C4'-P energy: -4.014
tors. eta vs tors. theta energy: 0.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -51.812614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.812614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.812614 (E_RNA)
where:
Base-Base interactions energy: -24.250
where: short stacking energy: -13.984
Base-Backbone interact. energy: -0.000
local terms energy: -27.562084
where:
bonds (distance) C4'-P energy: -4.719
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.979
flat angles P-C4'-P energy: -4.609
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: 2, replica: 6
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -49.036435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.036435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.036435 (E_RNA)
where:
Base-Base interactions energy: -21.141
where: short stacking energy: -21.141
Base-Backbone interact. energy: -0.000
local terms energy: -27.895859
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -6.031
flat angles P-C4'-P energy: -4.777
tors. eta vs tors. theta energy: -5.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -45.465402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.465402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.465402 (E_RNA)
where:
Base-Base interactions energy: -17.296
where: short stacking energy: -17.296
Base-Backbone interact. energy: -0.000
local terms energy: -28.169174
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.149
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -40.650990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.650990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.650990 (E_RNA)
where:
Base-Base interactions energy: -15.605
where: short stacking energy: -8.541
Base-Backbone interact. energy: -1.260
local terms energy: -23.785788
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -6.151
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -39.431988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.431988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.431988 (E_RNA)
where:
Base-Base interactions energy: -18.627
where: short stacking energy: -9.803
Base-Backbone interact. energy: -0.038
local terms energy: -20.767566
where:
bonds (distance) C4'-P energy: -5.252
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.457
flat angles P-C4'-P energy: -3.874
tors. eta vs tors. theta energy: -0.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -44.379147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.379147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.379147 (E_RNA)
where:
Base-Base interactions energy: -18.933
where: short stacking energy: -18.933
Base-Backbone interact. energy: -0.000
local terms energy: -25.446386
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.500
flat angles P-C4'-P energy: -4.488
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: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -43.782515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.782515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.782515 (E_RNA)
where:
Base-Base interactions energy: -19.453
where: short stacking energy: -16.454
Base-Backbone interact. energy: -0.013
local terms energy: -24.316713
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -4.480
flat angles P-C4'-P energy: -4.459
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: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -35.473004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.473004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.473004 (E_RNA)
where:
Base-Base interactions energy: -12.617
where: short stacking energy: -12.617
Base-Backbone interact. energy: -0.001
local terms energy: -22.855777
where:
bonds (distance) C4'-P energy: -4.993
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.042
flat angles P-C4'-P energy: -2.800
tors. eta vs tors. theta energy: -2.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -35.726632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.726632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.726632 (E_RNA)
where:
Base-Base interactions energy: -14.317
where: short stacking energy: -14.317
Base-Backbone interact. energy: -0.007
local terms energy: -21.402457
where:
bonds (distance) C4'-P energy: -5.650
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -2.576
flat angles P-C4'-P energy: -4.682
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: 2
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -31.794260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.794260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.794260 (E_RNA)
where:
Base-Base interactions energy: -12.098
where: short stacking energy: -10.027
Base-Backbone interact. energy: -0.000
local terms energy: -19.696609
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.046
flat angles P-C4'-P energy: 2.112
tors. eta vs tors. theta energy: -4.834
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: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -49.041081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.041081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.041081 (E_RNA)
where:
Base-Base interactions energy: -21.659
where: short stacking energy: -21.659
Base-Backbone interact. energy: -0.000
local terms energy: -27.381576
where:
bonds (distance) C4'-P energy: -4.392
bonds (distance) P-C4' energy: -6.131
flat angles C4'-P-C4' energy: -5.198
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -6.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -49.599440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.599440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.599440 (E_RNA)
where:
Base-Base interactions energy: -26.607
where: short stacking energy: -13.537
Base-Backbone interact. energy: -0.002
local terms energy: -22.991072
where:
bonds (distance) C4'-P energy: -2.934
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.013
flat angles P-C4'-P energy: -2.764
tors. eta vs tors. theta energy: -5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -40.506424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.506424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.506424 (E_RNA)
where:
Base-Base interactions energy: -15.160
where: short stacking energy: -15.160
Base-Backbone interact. energy: -0.000
local terms energy: -25.345978
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -4.677
flat angles C4'-P-C4' energy: -5.510
flat angles P-C4'-P energy: -3.614
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: 4, replica: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -48.667131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.667131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.667131 (E_RNA)
where:
Base-Base interactions energy: -25.869
where: short stacking energy: -10.580
Base-Backbone interact. energy: -0.634
local terms energy: -22.164424
where:
bonds (distance) C4'-P energy: -2.996
bonds (distance) P-C4' energy: -5.763
flat angles C4'-P-C4' energy: -5.285
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -40.116215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.116215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.116215 (E_RNA)
where:
Base-Base interactions energy: -15.516
where: short stacking energy: -15.516
Base-Backbone interact. energy: -0.017
local terms energy: -24.583490
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.327
flat angles C4'-P-C4' energy: -4.138
flat angles P-C4'-P energy: -4.284
tors. eta vs tors. theta energy: -4.713
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: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -41.041459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.041459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.041459 (E_RNA)
where:
Base-Base interactions energy: -18.315
where: short stacking energy: -14.464
Base-Backbone interact. energy: -0.014
local terms energy: -22.711692
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.293
flat angles P-C4'-P energy: -2.345
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -40.074812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.074812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.074812 (E_RNA)
where:
Base-Base interactions energy: -15.417
where: short stacking energy: -15.417
Base-Backbone interact. energy: -0.094
local terms energy: -24.564219
where:
bonds (distance) C4'-P energy: -4.251
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -4.029
flat angles P-C4'-P energy: -4.295
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: 8, replica: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -33.284185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.284185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.284185 (E_RNA)
where:
Base-Base interactions energy: -11.380
where: short stacking energy: -11.380
Base-Backbone interact. energy: -0.021
local terms energy: -21.883483
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -5.015
flat angles C4'-P-C4' energy: -4.836
flat angles P-C4'-P energy: -4.316
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: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -29.623485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.623485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.623485 (E_RNA)
where:
Base-Base interactions energy: -13.172
where: short stacking energy: -6.156
Base-Backbone interact. energy: -0.105
local terms energy: -16.346052
where:
bonds (distance) C4'-P energy: -3.762
bonds (distance) P-C4' energy: -4.564
flat angles C4'-P-C4' energy: -4.483
flat angles P-C4'-P energy: -2.492
tors. eta vs tors. theta energy: -1.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -36.198083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.198083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.198083 (E_RNA)
where:
Base-Base interactions energy: -16.420
where: short stacking energy: -16.420
Base-Backbone interact. energy: -0.000
local terms energy: -19.777689
where:
bonds (distance) C4'-P energy: -3.622
bonds (distance) P-C4' energy: -5.395
flat angles C4'-P-C4' energy: -3.781
flat angles P-C4'-P energy: -4.772
tors. eta vs tors. theta energy: -2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -51.564381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.564381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.564381 (E_RNA)
where:
Base-Base interactions energy: -26.050
where: short stacking energy: -26.050
Base-Backbone interact. energy: -0.000
local terms energy: -25.514776
where:
bonds (distance) C4'-P energy: -2.942
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.237
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: -7.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -42.818034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.818034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.818034 (E_RNA)
where:
Base-Base interactions energy: -19.559
where: short stacking energy: -8.000
Base-Backbone interact. energy: -0.005
local terms energy: -23.253958
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -5.154
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: -0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -50.495751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.495751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.495751 (E_RNA)
where:
Base-Base interactions energy: -23.054
where: short stacking energy: -23.054
Base-Backbone interact. energy: -0.000
local terms energy: -27.441888
where:
bonds (distance) C4'-P energy: -5.179
bonds (distance) P-C4' energy: -7.147
flat angles C4'-P-C4' energy: -3.904
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -6.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -51.661862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.661862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.661862 (E_RNA)
where:
Base-Base interactions energy: -29.161
where: short stacking energy: -16.295
Base-Backbone interact. energy: -0.045
local terms energy: -22.455917
where:
bonds (distance) C4'-P energy: -5.045
bonds (distance) P-C4' energy: -5.018
flat angles C4'-P-C4' energy: -5.709
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -2.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -37.776536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.776536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.776536 (E_RNA)
where:
Base-Base interactions energy: -15.723
where: short stacking energy: -15.723
Base-Backbone interact. energy: -0.000
local terms energy: -22.053817
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -3.212
flat angles P-C4'-P energy: -3.970
tors. eta vs tors. theta energy: -2.686
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: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -42.480783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.480783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.480783 (E_RNA)
where:
Base-Base interactions energy: -17.903
where: short stacking energy: -17.903
Base-Backbone interact. energy: -0.001
local terms energy: -24.576390
where:
bonds (distance) C4'-P energy: -4.016
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -6.304
flat angles P-C4'-P energy: -3.133
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -42.081735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.081735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.081735 (E_RNA)
where:
Base-Base interactions energy: -24.194
where: short stacking energy: -16.118
Base-Backbone interact. energy: 0.213
local terms energy: -18.101065
where:
bonds (distance) C4'-P energy: -4.184
bonds (distance) P-C4' energy: -4.846
flat angles C4'-P-C4' energy: -0.328
flat angles P-C4'-P energy: -4.274
tors. eta vs tors. theta energy: -4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -35.505595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.505595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.505595 (E_RNA)
where:
Base-Base interactions energy: -14.419
where: short stacking energy: -9.981
Base-Backbone interact. energy: -0.049
local terms energy: -21.037275
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -4.591
flat angles C4'-P-C4' energy: -4.883
flat angles P-C4'-P energy: -3.901
tors. eta vs tors. theta energy: -1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -36.755169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.755169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.755169 (E_RNA)
where:
Base-Base interactions energy: -13.148
where: short stacking energy: -13.148
Base-Backbone interact. energy: -0.001
local terms energy: -23.606788
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -6.604
flat angles P-C4'-P energy: -3.430
tors. eta vs tors. theta energy: -1.374
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: 10, replica: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -34.175738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.175738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.175738 (E_RNA)
where:
Base-Base interactions energy: -11.858
where: short stacking energy: -11.858
Base-Backbone interact. energy: -0.000
local terms energy: -22.317903
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -4.553
flat angles P-C4'-P energy: -2.876
tors. eta vs tors. theta energy: -2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -50.513902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.513902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.513902 (E_RNA)
where:
Base-Base interactions energy: -20.350
where: short stacking energy: -20.350
Base-Backbone interact. energy: -0.001
local terms energy: -30.162194
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.678
flat angles C4'-P-C4' energy: -6.465
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -50.270812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.270812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.270812 (E_RNA)
where:
Base-Base interactions energy: -21.430
where: short stacking energy: -21.430
Base-Backbone interact. energy: -0.000
local terms energy: -28.840620
where:
bonds (distance) C4'-P energy: -4.284
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -6.107
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -7.192
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: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -48.141042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.141042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.141042 (E_RNA)
where:
Base-Base interactions energy: -19.317
where: short stacking energy: -19.317
Base-Backbone interact. energy: -0.000
local terms energy: -28.823893
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -5.553
flat angles P-C4'-P energy: -4.742
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: 4, replica: 8
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -39.988606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.988606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.988606 (E_RNA)
where:
Base-Base interactions energy: -17.003
where: short stacking energy: -17.003
Base-Backbone interact. energy: -0.160
local terms energy: -22.825490
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -5.837
flat angles P-C4'-P energy: -0.258
tors. eta vs tors. theta energy: -4.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -37.952354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.952354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.952354 (E_RNA)
where:
Base-Base interactions energy: -12.205
where: short stacking energy: -7.150
Base-Backbone interact. energy: -0.004
local terms energy: -25.743168
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.829
flat angles P-C4'-P energy: -3.983
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -33.742602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.742602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.742602 (E_RNA)
where:
Base-Base interactions energy: -13.122
where: short stacking energy: -13.122
Base-Backbone interact. energy: -0.072
local terms energy: -20.548219
where:
bonds (distance) C4'-P energy: -4.747
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -5.641
flat angles P-C4'-P energy: -3.469
tors. eta vs tors. theta energy: -1.090
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: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -34.877537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.877537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.877537 (E_RNA)
where:
Base-Base interactions energy: -11.306
where: short stacking energy: -11.306
Base-Backbone interact. energy: -0.000
local terms energy: -23.571514
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.282
flat angles P-C4'-P energy: -3.037
tors. eta vs tors. theta energy: -2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -34.653314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.653314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.653314 (E_RNA)
where:
Base-Base interactions energy: -10.987
where: short stacking energy: -10.987
Base-Backbone interact. energy: -0.001
local terms energy: -23.665448
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -4.910
flat angles C4'-P-C4' energy: -5.027
flat angles P-C4'-P energy: -3.331
tors. eta vs tors. theta energy: -5.377
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: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -34.486339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.486339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.486339 (E_RNA)
where:
Base-Base interactions energy: -12.385
where: short stacking energy: -8.590
Base-Backbone interact. energy: -0.004
local terms energy: -22.096568
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -4.896
flat angles C4'-P-C4' energy: -6.188
flat angles P-C4'-P energy: -4.474
tors. eta vs tors. theta energy: -1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -43.573801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.573801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.573801 (E_RNA)
where:
Base-Base interactions energy: -16.950
where: short stacking energy: -16.950
Base-Backbone interact. energy: -0.001
local terms energy: -26.623284
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.938
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -45.364779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.364779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.364779 (E_RNA)
where:
Base-Base interactions energy: -17.276
where: short stacking energy: -17.276
Base-Backbone interact. energy: -0.000
local terms energy: -28.088487
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -6.220
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -41.232928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.232928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.232928 (E_RNA)
where:
Base-Base interactions energy: -19.589
where: short stacking energy: -16.288
Base-Backbone interact. energy: -0.004
local terms energy: -21.640553
where:
bonds (distance) C4'-P energy: -3.688
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -6.081
flat angles P-C4'-P energy: -3.753
tors. eta vs tors. theta energy: -2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -45.411752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.411752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.411752 (E_RNA)
where:
Base-Base interactions energy: -23.317
where: short stacking energy: -23.317
Base-Backbone interact. energy: -0.002
local terms energy: -22.092405
where:
bonds (distance) C4'-P energy: -0.963
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -3.825
flat angles P-C4'-P energy: -4.190
tors. eta vs tors. theta energy: -7.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -43.172238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.172238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.172238 (E_RNA)
where:
Base-Base interactions energy: -19.691
where: short stacking energy: -19.691
Base-Backbone interact. energy: -0.000
local terms energy: -23.481122
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -4.393
flat angles C4'-P-C4' energy: -5.332
flat angles P-C4'-P energy: -4.308
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: 5, replica: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -43.073576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.073576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.073576 (E_RNA)
where:
Base-Base interactions energy: -18.897
where: short stacking energy: -18.897
Base-Backbone interact. energy: -0.000
local terms energy: -24.176507
where:
bonds (distance) C4'-P energy: -2.911
bonds (distance) P-C4' energy: -5.826
flat angles C4'-P-C4' energy: -4.781
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -5.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -36.973799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.973799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.973799 (E_RNA)
where:
Base-Base interactions energy: -15.747
where: short stacking energy: -15.248
Base-Backbone interact. energy: -0.089
local terms energy: -21.137599
where:
bonds (distance) C4'-P energy: -4.703
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -3.385
flat angles P-C4'-P energy: -3.413
tors. eta vs tors. theta energy: -2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -38.759912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.759912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.759912 (E_RNA)
where:
Base-Base interactions energy: -16.397
where: short stacking energy: -16.397
Base-Backbone interact. energy: -0.061
local terms energy: -22.301808
where:
bonds (distance) C4'-P energy: -3.973
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -4.291
flat angles P-C4'-P energy: -2.938
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: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -33.085375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.085375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.085375 (E_RNA)
where:
Base-Base interactions energy: -14.852
where: short stacking energy: -14.852
Base-Backbone interact. energy: -0.100
local terms energy: -18.133350
where:
bonds (distance) C4'-P energy: 0.535
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.553
flat angles P-C4'-P energy: -2.899
tors. eta vs tors. theta energy: -3.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -33.576196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.576196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.576196 (E_RNA)
where:
Base-Base interactions energy: -13.635
where: short stacking energy: -9.527
Base-Backbone interact. energy: -0.014
local terms energy: -19.927233
where:
bonds (distance) C4'-P energy: -4.647
bonds (distance) P-C4' energy: -6.460
flat angles C4'-P-C4' energy: -5.916
flat angles P-C4'-P energy: -4.064
tors. eta vs tors. theta energy: 1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -31.536575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.536575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.536575 (E_RNA)
where:
Base-Base interactions energy: -10.194
where: short stacking energy: -10.194
Base-Backbone interact. energy: -0.266
local terms energy: -21.076774
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.464
flat angles P-C4'-P energy: -2.899
tors. eta vs tors. theta energy: -0.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -50.408144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.408144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.408144 (E_RNA)
where:
Base-Base interactions energy: -21.941
where: short stacking energy: -21.941
Base-Backbone interact. energy: -0.000
local terms energy: -28.466883
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -6.104
flat angles C4'-P-C4' energy: -6.401
flat angles P-C4'-P energy: -4.310
tors. eta vs tors. theta energy: -6.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -50.842470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.842470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.842470 (E_RNA)
where:
Base-Base interactions energy: -26.846
where: short stacking energy: -14.145
Base-Backbone interact. energy: -1.023
local terms energy: -22.972866
where:
bonds (distance) C4'-P energy: -4.516
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.620
flat angles P-C4'-P energy: -3.605
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -46.723692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.723692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.723692 (E_RNA)
where:
Base-Base interactions energy: -20.511
where: short stacking energy: -20.511
Base-Backbone interact. energy: -0.231
local terms energy: -25.982326
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.687
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -4.976
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: 7
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -43.278659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.278659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.278659 (E_RNA)
where:
Base-Base interactions energy: -22.388
where: short stacking energy: -22.388
Base-Backbone interact. energy: -0.000
local terms energy: -20.890585
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -6.152
flat angles P-C4'-P energy: 1.065
tors. eta vs tors. theta energy: -5.120
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: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -44.331033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.331033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.331033 (E_RNA)
where:
Base-Base interactions energy: -20.774
where: short stacking energy: -20.774
Base-Backbone interact. energy: -0.000
local terms energy: -23.557303
where:
bonds (distance) C4'-P energy: -4.980
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -5.219
flat angles P-C4'-P energy: -3.490
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -38.456033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.456033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.456033 (E_RNA)
where:
Base-Base interactions energy: -14.286
where: short stacking energy: -14.049
Base-Backbone interact. energy: 0.055
local terms energy: -24.224915
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.923
flat angles P-C4'-P energy: -4.830
tors. eta vs tors. theta energy: -2.344
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: 2
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -38.493751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.493751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.493751 (E_RNA)
where:
Base-Base interactions energy: -17.483
where: short stacking energy: -17.483
Base-Backbone interact. energy: -0.000
local terms energy: -21.010724
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.984
flat angles P-C4'-P energy: -4.466
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: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -36.465594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.465594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.465594 (E_RNA)
where:
Base-Base interactions energy: -21.293
where: short stacking energy: -8.969
Base-Backbone interact. energy: -0.372
local terms energy: -14.800608
where:
bonds (distance) C4'-P energy: -5.783
bonds (distance) P-C4' energy: -5.153
flat angles C4'-P-C4' energy: -1.510
flat angles P-C4'-P energy: -3.447
tors. eta vs tors. theta energy: 1.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -32.109625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.109625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.109625 (E_RNA)
where:
Base-Base interactions energy: -15.160
where: short stacking energy: -15.160
Base-Backbone interact. energy: -0.000
local terms energy: -16.949889
where:
bonds (distance) C4'-P energy: -1.531
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -2.612
flat angles P-C4'-P energy: -2.881
tors. eta vs tors. theta energy: -3.025
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: 209
Temperature: 1.350000
Total energy: -29.161375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.161375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.161375 (E_RNA)
where:
Base-Base interactions energy: -9.172
where: short stacking energy: -9.172
Base-Backbone interact. energy: -0.002
local terms energy: -19.986630
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -5.853
flat angles P-C4'-P energy: -1.038
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: 1, replica: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -53.194910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.194910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.194910 (E_RNA)
where:
Base-Base interactions energy: -23.782
where: short stacking energy: -23.782
Base-Backbone interact. energy: -0.000
local terms energy: -29.413083
where:
bonds (distance) C4'-P energy: -5.295
bonds (distance) P-C4' energy: -4.265
flat angles C4'-P-C4' energy: -6.307
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: -7.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -48.052836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.052836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.052836 (E_RNA)
where:
Base-Base interactions energy: -20.379
where: short stacking energy: -20.379
Base-Backbone interact. energy: -0.000
local terms energy: -27.673320
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -6.131
flat angles P-C4'-P energy: -3.117
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: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -51.080854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.080854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.080854 (E_RNA)
where:
Base-Base interactions energy: -28.281
where: short stacking energy: -14.216
Base-Backbone interact. energy: -0.093
local terms energy: -22.707447
where:
bonds (distance) C4'-P energy: -5.349
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -5.332
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -2.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -43.240443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.240443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.240443 (E_RNA)
where:
Base-Base interactions energy: -21.260
where: short stacking energy: -21.260
Base-Backbone interact. energy: -0.001
local terms energy: -21.979373
where:
bonds (distance) C4'-P energy: -4.533
bonds (distance) P-C4' energy: -5.080
flat angles C4'-P-C4' energy: -5.091
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -48.254657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.254657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.254657 (E_RNA)
where:
Base-Base interactions energy: -26.040
where: short stacking energy: -14.004
Base-Backbone interact. energy: -0.022
local terms energy: -22.192885
where:
bonds (distance) C4'-P energy: -3.928
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.724
flat angles P-C4'-P energy: -2.885
tors. eta vs tors. theta energy: -3.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -39.063049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.063049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.063049 (E_RNA)
where:
Base-Base interactions energy: -15.822
where: short stacking energy: -15.822
Base-Backbone interact. energy: -0.000
local terms energy: -23.240948
where:
bonds (distance) C4'-P energy: -4.346
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.671
flat angles P-C4'-P energy: -2.964
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: 7, replica: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -40.273907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.273907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.273907 (E_RNA)
where:
Base-Base interactions energy: -16.876
where: short stacking energy: -16.876
Base-Backbone interact. energy: -0.042
local terms energy: -23.355809
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -4.398
flat angles C4'-P-C4' energy: -4.998
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -3.874
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: 2
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -32.204297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.204297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.204297 (E_RNA)
where:
Base-Base interactions energy: -10.423
where: short stacking energy: -8.162
Base-Backbone interact. energy: 1.628
local terms energy: -23.408876
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.276
flat angles C4'-P-C4' energy: -3.910
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -3.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -31.656157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.656157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.656157 (E_RNA)
where:
Base-Base interactions energy: -12.527
where: short stacking energy: -12.527
Base-Backbone interact. energy: -0.001
local terms energy: -19.128261
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -1.725
flat angles P-C4'-P energy: -4.732
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: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -35.221042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.221042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.221042 (E_RNA)
where:
Base-Base interactions energy: -15.221
where: short stacking energy: -11.825
Base-Backbone interact. energy: -0.000
local terms energy: -19.999736
where:
bonds (distance) C4'-P energy: -4.587
bonds (distance) P-C4' energy: -3.960
flat angles C4'-P-C4' energy: -4.519
flat angles P-C4'-P energy: -4.476
tors. eta vs tors. theta energy: -2.458
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: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -53.695371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.695371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.695371 (E_RNA)
where:
Base-Base interactions energy: -23.811
where: short stacking energy: -23.811
Base-Backbone interact. energy: -0.000
local terms energy: -29.884172
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -6.049
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -7.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -48.094294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.094294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.094294 (E_RNA)
where:
Base-Base interactions energy: -26.080
where: short stacking energy: -9.711
Base-Backbone interact. energy: -0.097
local terms energy: -21.917295
where:
bonds (distance) C4'-P energy: -5.360
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.836
flat angles P-C4'-P energy: -2.908
tors. eta vs tors. theta energy: -1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -42.328754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.328754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.328754 (E_RNA)
where:
Base-Base interactions energy: -23.267
where: short stacking energy: -10.565
Base-Backbone interact. energy: -0.078
local terms energy: -18.984080
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -4.199
flat angles C4'-P-C4' energy: -5.141
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: 0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -44.132063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.132063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.132063 (E_RNA)
where:
Base-Base interactions energy: -20.304
where: short stacking energy: -20.304
Base-Backbone interact. energy: -0.000
local terms energy: -23.827481
where:
bonds (distance) C4'-P energy: -4.869
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -5.013
flat angles P-C4'-P energy: -1.562
tors. eta vs tors. theta energy: -5.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -39.732293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.732293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.732293 (E_RNA)
where:
Base-Base interactions energy: -15.965
where: short stacking energy: -12.276
Base-Backbone interact. energy: -0.559
local terms energy: -23.207752
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -3.889
flat angles P-C4'-P energy: -5.023
tors. eta vs tors. theta energy: -2.022
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: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -47.458275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.458275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.458275 (E_RNA)
where:
Base-Base interactions energy: -25.506
where: short stacking energy: -14.437
Base-Backbone interact. energy: -0.002
local terms energy: -21.949864
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -5.826
flat angles C4'-P-C4' energy: -4.776
flat angles P-C4'-P energy: -3.189
tors. eta vs tors. theta energy: -2.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -36.692001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.692001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.692001 (E_RNA)
where:
Base-Base interactions energy: -12.949
where: short stacking energy: -12.949
Base-Backbone interact. energy: -0.089
local terms energy: -23.653652
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.773
flat angles C4'-P-C4' energy: -4.511
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: -3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -36.038458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.038458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.038458 (E_RNA)
where:
Base-Base interactions energy: -19.395
where: short stacking energy: -19.395
Base-Backbone interact. energy: -0.001
local terms energy: -16.642034
where:
bonds (distance) C4'-P energy: -2.856
bonds (distance) P-C4' energy: -4.165
flat angles C4'-P-C4' energy: -3.304
flat angles P-C4'-P energy: -3.560
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -33.596358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.596358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.596358 (E_RNA)
where:
Base-Base interactions energy: -13.798
where: short stacking energy: -13.170
Base-Backbone interact. energy: -0.004
local terms energy: -19.794504
where:
bonds (distance) C4'-P energy: -5.303
bonds (distance) P-C4' energy: -5.336
flat angles C4'-P-C4' energy: -4.800
flat angles P-C4'-P energy: -1.878
tors. eta vs tors. theta energy: -2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -35.376380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.376380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.376380 (E_RNA)
where:
Base-Base interactions energy: -11.595
where: short stacking energy: -10.208
Base-Backbone interact. energy: -0.000
local terms energy: -23.781216
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -5.410
flat angles C4'-P-C4' energy: -6.475
flat angles P-C4'-P energy: -1.711
tors. eta vs tors. theta energy: -4.729
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: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -45.377421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.377421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.377421 (E_RNA)
where:
Base-Base interactions energy: -22.394
where: short stacking energy: -22.394
Base-Backbone interact. energy: -0.019
local terms energy: -22.964286
where:
bonds (distance) C4'-P energy: -3.166
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -4.810
flat angles P-C4'-P energy: -3.274
tors. eta vs tors. theta energy: -5.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -45.812876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.812876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.812876 (E_RNA)
where:
Base-Base interactions energy: -22.383
where: short stacking energy: -22.383
Base-Backbone interact. energy: -0.056
local terms energy: -23.373826
where:
bonds (distance) C4'-P energy: -2.657
bonds (distance) P-C4' energy: -5.398
flat angles C4'-P-C4' energy: -5.400
flat angles P-C4'-P energy: -3.559
tors. eta vs tors. theta energy: -6.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -47.540690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.540690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.540690 (E_RNA)
where:
Base-Base interactions energy: -26.519
where: short stacking energy: -13.961
Base-Backbone interact. energy: -0.001
local terms energy: -21.020804
where:
bonds (distance) C4'-P energy: -4.434
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.526
flat angles P-C4'-P energy: -2.856
tors. eta vs tors. theta energy: -2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -44.856905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.856905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.856905 (E_RNA)
where:
Base-Base interactions energy: -17.949
where: short stacking energy: -17.949
Base-Backbone interact. energy: -0.093
local terms energy: -26.815287
where:
bonds (distance) C4'-P energy: -5.037
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.951
flat angles P-C4'-P energy: -4.851
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: 5, replica: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -43.511455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.511455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.511455 (E_RNA)
where:
Base-Base interactions energy: -21.764
where: short stacking energy: -12.891
Base-Backbone interact. energy: -0.000
local terms energy: -21.747482
where:
bonds (distance) C4'-P energy: -3.899
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -4.543
flat angles P-C4'-P energy: -3.448
tors. eta vs tors. theta energy: -2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -44.900872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.900872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.900872 (E_RNA)
where:
Base-Base interactions energy: -19.805
where: short stacking energy: -19.805
Base-Backbone interact. energy: -0.000
local terms energy: -25.095962
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -5.487
flat angles P-C4'-P energy: -1.944
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: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -35.009925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.009925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.009925 (E_RNA)
where:
Base-Base interactions energy: -16.586
where: short stacking energy: -16.586
Base-Backbone interact. energy: -0.002
local terms energy: -18.421853
where:
bonds (distance) C4'-P energy: -2.509
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -5.253
flat angles P-C4'-P energy: -0.393
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -39.820934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.820934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.820934 (E_RNA)
where:
Base-Base interactions energy: -18.803
where: short stacking energy: -6.814
Base-Backbone interact. energy: -0.070
local terms energy: -20.947272
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -2.784
flat angles P-C4'-P energy: -1.594
tors. eta vs tors. theta energy: -3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -39.483472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.483472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.483472 (E_RNA)
where:
Base-Base interactions energy: -18.042
where: short stacking energy: -18.042
Base-Backbone interact. energy: -0.000
local terms energy: -21.441362
where:
bonds (distance) C4'-P energy: -1.010
bonds (distance) P-C4' energy: -5.870
flat angles C4'-P-C4' energy: -5.635
flat angles P-C4'-P energy: -3.954
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -32.853675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.853675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.853675 (E_RNA)
where:
Base-Base interactions energy: -11.482
where: short stacking energy: -11.482
Base-Backbone interact. energy: -0.087
local terms energy: -21.284762
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -5.637
flat angles P-C4'-P energy: -3.646
tors. eta vs tors. theta energy: -2.608
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: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -47.660694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.660694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.660694 (E_RNA)
where:
Base-Base interactions energy: -19.086
where: short stacking energy: -19.086
Base-Backbone interact. energy: -0.001
local terms energy: -28.573782
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -6.247
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -4.614
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: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -51.764104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.764104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.764104 (E_RNA)
where:
Base-Base interactions energy: -23.306
where: short stacking energy: -23.306
Base-Backbone interact. energy: -0.000
local terms energy: -28.457659
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -6.535
flat angles P-C4'-P energy: -3.550
tors. eta vs tors. theta energy: -5.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -46.378730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.378730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.378730 (E_RNA)
where:
Base-Base interactions energy: -20.245
where: short stacking energy: -20.245
Base-Backbone interact. energy: -0.000
local terms energy: -26.133708
where:
bonds (distance) C4'-P energy: -5.373
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -4.942
flat angles P-C4'-P energy: -3.501
tors. eta vs tors. theta energy: -5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -45.906649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.906649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.906649 (E_RNA)
where:
Base-Base interactions energy: -20.033
where: short stacking energy: -20.033
Base-Backbone interact. energy: -0.000
local terms energy: -25.872947
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -3.786
flat angles P-C4'-P energy: -4.355
tors. eta vs tors. theta energy: -5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -37.350906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.350906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.350906 (E_RNA)
where:
Base-Base interactions energy: -13.522
where: short stacking energy: -13.522
Base-Backbone interact. energy: -0.000
local terms energy: -23.828871
where:
bonds (distance) C4'-P energy: -3.430
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -5.847
flat angles P-C4'-P energy: -3.703
tors. eta vs tors. theta energy: -4.674
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: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -36.871256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.871256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.871256 (E_RNA)
where:
Base-Base interactions energy: -13.277
where: short stacking energy: -13.277
Base-Backbone interact. energy: -0.096
local terms energy: -23.497732
where:
bonds (distance) C4'-P energy: -5.133
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -6.523
flat angles P-C4'-P energy: -2.323
tors. eta vs tors. theta energy: -3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -42.400845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.400845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.400845 (E_RNA)
where:
Base-Base interactions energy: -24.274
where: short stacking energy: -8.039
Base-Backbone interact. energy: -0.019
local terms energy: -18.107327
where:
bonds (distance) C4'-P energy: -4.603
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -5.726
flat angles P-C4'-P energy: -1.434
tors. eta vs tors. theta energy: -0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -40.194188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.194188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.194188 (E_RNA)
where:
Base-Base interactions energy: -17.670
where: short stacking energy: -17.670
Base-Backbone interact. energy: -0.000
local terms energy: -22.524325
where:
bonds (distance) C4'-P energy: -5.481
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -4.149
flat angles P-C4'-P energy: -1.672
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -30.539010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.539010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.539010 (E_RNA)
where:
Base-Base interactions energy: -12.426
where: short stacking energy: -12.426
Base-Backbone interact. energy: -0.019
local terms energy: -18.093522
where:
bonds (distance) C4'-P energy: -4.184
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -3.919
flat angles P-C4'-P energy: -3.365
tors. eta vs tors. theta energy: 0.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -33.958917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.958917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.958917 (E_RNA)
where:
Base-Base interactions energy: -13.381
where: short stacking energy: -13.381
Base-Backbone interact. energy: -0.001
local terms energy: -20.577391
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -2.373
flat angles P-C4'-P energy: -2.407
tors. eta vs tors. theta energy: -3.625
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: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -51.440453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.440453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.440453 (E_RNA)
where:
Base-Base interactions energy: -22.449
where: short stacking energy: -22.449
Base-Backbone interact. energy: -0.000
local terms energy: -28.991452
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.447
flat angles P-C4'-P energy: -3.917
tors. eta vs tors. theta energy: -6.968
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: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -41.454521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.454521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.454521 (E_RNA)
where:
Base-Base interactions energy: -15.804
where: short stacking energy: -15.804
Base-Backbone interact. energy: -0.000
local terms energy: -25.650798
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.127
flat angles P-C4'-P energy: -3.881
tors. eta vs tors. theta energy: -3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -42.685614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.685614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.685614 (E_RNA)
where:
Base-Base interactions energy: -18.216
where: short stacking energy: -18.216
Base-Backbone interact. energy: -0.000
local terms energy: -24.469783
where:
bonds (distance) C4'-P energy: -3.618
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -6.208
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -2.577
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: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -39.554041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.554041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.554041 (E_RNA)
where:
Base-Base interactions energy: -18.471
where: short stacking energy: -15.950
Base-Backbone interact. energy: -0.005
local terms energy: -21.078178
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.227
flat angles P-C4'-P energy: -0.964
tors. eta vs tors. theta energy: -2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -35.696650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.696650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.696650 (E_RNA)
where:
Base-Base interactions energy: -12.920
where: short stacking energy: -12.920
Base-Backbone interact. energy: -0.003
local terms energy: -22.773210
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.401
flat angles P-C4'-P energy: -2.248
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: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -38.347642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.347642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.347642 (E_RNA)
where:
Base-Base interactions energy: -14.407
where: short stacking energy: -14.407
Base-Backbone interact. energy: -0.000
local terms energy: -23.940635
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: -3.444
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: 7, replica: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -31.475009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.475009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.475009 (E_RNA)
where:
Base-Base interactions energy: -17.564
where: short stacking energy: -17.564
Base-Backbone interact. energy: -0.390
local terms energy: -13.521263
where:
bonds (distance) C4'-P energy: -2.545
bonds (distance) P-C4' energy: -1.237
flat angles C4'-P-C4' energy: -5.866
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -33.937261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.937261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.937261 (E_RNA)
where:
Base-Base interactions energy: -10.545
where: short stacking energy: -10.545
Base-Backbone interact. energy: -0.000
local terms energy: -23.392607
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -4.460
flat angles C4'-P-C4' energy: -5.898
flat angles P-C4'-P energy: -4.476
tors. eta vs tors. theta energy: -2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -32.960905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.960905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.960905 (E_RNA)
where:
Base-Base interactions energy: -9.066
where: short stacking energy: -9.066
Base-Backbone interact. energy: -0.000
local terms energy: -23.895025
where:
bonds (distance) C4'-P energy: -3.990
bonds (distance) P-C4' energy: -5.889
flat angles C4'-P-C4' energy: -6.613
flat angles P-C4'-P energy: -4.572
tors. eta vs tors. theta energy: -2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -33.924683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.924683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.924683 (E_RNA)
where:
Base-Base interactions energy: -12.565
where: short stacking energy: -12.565
Base-Backbone interact. energy: -0.000
local terms energy: -21.359527
where:
bonds (distance) C4'-P energy: -4.985
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -5.403
flat angles P-C4'-P energy: -3.333
tors. eta vs tors. theta energy: -2.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -51.989149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.989149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.989149 (E_RNA)
where:
Base-Base interactions energy: -24.513
where: short stacking energy: -24.513
Base-Backbone interact. energy: -0.000
local terms energy: -27.475664
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.279
flat angles C4'-P-C4' energy: -6.259
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -6.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -51.050988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.050988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.050988 (E_RNA)
where:
Base-Base interactions energy: -23.754
where: short stacking energy: -23.754
Base-Backbone interact. energy: -0.000
local terms energy: -27.296383
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -5.920
flat angles C4'-P-C4' energy: -6.138
flat angles P-C4'-P energy: -4.005
tors. eta vs tors. theta energy: -6.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -50.367475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.367475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.367475 (E_RNA)
where:
Base-Base interactions energy: -24.719
where: short stacking energy: -16.287
Base-Backbone interact. energy: -0.090
local terms energy: -25.558685
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.713
flat angles P-C4'-P energy: -3.159
tors. eta vs tors. theta energy: -4.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -41.554813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.554813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.554813 (E_RNA)
where:
Base-Base interactions energy: -15.868
where: short stacking energy: -15.868
Base-Backbone interact. energy: -0.000
local terms energy: -25.686961
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -6.692
flat angles P-C4'-P energy: -2.860
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -32.767531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.767531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.767531 (E_RNA)
where:
Base-Base interactions energy: -9.138
where: short stacking energy: -9.138
Base-Backbone interact. energy: -0.099
local terms energy: -23.530955
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -5.143
flat angles C4'-P-C4' energy: -5.327
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -35.508440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.508440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.508440 (E_RNA)
where:
Base-Base interactions energy: -13.587
where: short stacking energy: -13.587
Base-Backbone interact. energy: -0.017
local terms energy: -21.904475
where:
bonds (distance) C4'-P energy: -5.029
bonds (distance) P-C4' energy: -5.576
flat angles C4'-P-C4' energy: -5.684
flat angles P-C4'-P energy: -4.819
tors. eta vs tors. theta energy: -0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -31.031870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.031870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.031870 (E_RNA)
where:
Base-Base interactions energy: -12.250
where: short stacking energy: -12.250
Base-Backbone interact. energy: -0.049
local terms energy: -18.733521
where:
bonds (distance) C4'-P energy: -4.045
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -3.735
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -1.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -36.291886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.291886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.291886 (E_RNA)
where:
Base-Base interactions energy: -13.904
where: short stacking energy: -13.419
Base-Backbone interact. energy: -0.048
local terms energy: -22.339968
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.311
flat angles C4'-P-C4' energy: -3.158
flat angles P-C4'-P energy: -4.432
tors. eta vs tors. theta energy: -3.325
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: 9, replica: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -33.296079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.296079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.296079 (E_RNA)
where:
Base-Base interactions energy: -12.930
where: short stacking energy: -12.930
Base-Backbone interact. energy: -0.000
local terms energy: -20.366211
where:
bonds (distance) C4'-P energy: -2.952
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -4.063
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -3.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -28.246056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.246056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.246056 (E_RNA)
where:
Base-Base interactions energy: -7.712
where: short stacking energy: -4.503
Base-Backbone interact. energy: -0.085
local terms energy: -20.449782
where:
bonds (distance) C4'-P energy: -3.257
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -3.152
flat angles P-C4'-P energy: -4.460
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -46.083161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.083161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.083161 (E_RNA)
where:
Base-Base interactions energy: -18.724
where: short stacking energy: -18.724
Base-Backbone interact. energy: -0.000
local terms energy: -27.359359
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -6.538
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: -4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -44.945192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.945192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.945192 (E_RNA)
where:
Base-Base interactions energy: -20.239
where: short stacking energy: -10.979
Base-Backbone interact. energy: -0.669
local terms energy: -24.037337
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -5.509
flat angles C4'-P-C4' energy: -5.104
flat angles P-C4'-P energy: -3.938
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -50.359148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.359148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.359148 (E_RNA)
where:
Base-Base interactions energy: -22.097
where: short stacking energy: -22.097
Base-Backbone interact. energy: -0.000
local terms energy: -28.262455
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.675
flat angles P-C4'-P energy: -4.124
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: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -42.505264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.505264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.505264 (E_RNA)
where:
Base-Base interactions energy: -17.286
where: short stacking energy: -17.286
Base-Backbone interact. energy: -0.000
local terms energy: -25.218962
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.216
flat angles P-C4'-P energy: -3.468
tors. eta vs tors. theta energy: -3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -40.134519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.134519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.134519 (E_RNA)
where:
Base-Base interactions energy: -17.486
where: short stacking energy: -17.486
Base-Backbone interact. energy: -0.001
local terms energy: -22.648404
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.348
flat angles P-C4'-P energy: -2.382
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -42.092183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.092183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.092183 (E_RNA)
where:
Base-Base interactions energy: -17.244
where: short stacking energy: -17.244
Base-Backbone interact. energy: -0.031
local terms energy: -24.816715
where:
bonds (distance) C4'-P energy: -5.029
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.132
flat angles P-C4'-P energy: -3.688
tors. eta vs tors. theta energy: -3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -38.703931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.703931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.703931 (E_RNA)
where:
Base-Base interactions energy: -15.274
where: short stacking energy: -15.274
Base-Backbone interact. energy: -0.000
local terms energy: -23.429720
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -4.255
flat angles P-C4'-P energy: -3.545
tors. eta vs tors. theta energy: -3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -36.108795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.108795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.108795 (E_RNA)
where:
Base-Base interactions energy: -19.659
where: short stacking energy: -16.945
Base-Backbone interact. energy: 1.177
local terms energy: -17.626864
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -1.861
flat angles P-C4'-P energy: -1.307
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: 2
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -38.262482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.262482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.262482 (E_RNA)
where:
Base-Base interactions energy: -13.893
where: short stacking energy: -13.893
Base-Backbone interact. energy: -0.000
local terms energy: -24.369343
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.919
flat angles P-C4'-P energy: -2.883
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -33.369661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.369661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.369661 (E_RNA)
where:
Base-Base interactions energy: -13.990
where: short stacking energy: -13.990
Base-Backbone interact. energy: -0.021
local terms energy: -19.358699
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.402
flat angles C4'-P-C4' energy: -2.653
flat angles P-C4'-P energy: -3.096
tors. eta vs tors. theta energy: -1.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -50.584107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.584107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.584107 (E_RNA)
where:
Base-Base interactions energy: -21.238
where: short stacking energy: -21.238
Base-Backbone interact. energy: -0.001
local terms energy: -29.345070
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -6.421
flat angles P-C4'-P energy: -5.503
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: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -50.629285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.629285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.629285 (E_RNA)
where:
Base-Base interactions energy: -22.614
where: short stacking energy: -14.276
Base-Backbone interact. energy: -0.100
local terms energy: -27.915719
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -45.772655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.772655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.772655 (E_RNA)
where:
Base-Base interactions energy: -17.010
where: short stacking energy: -17.010
Base-Backbone interact. energy: -0.001
local terms energy: -28.762306
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -3.902
tors. eta vs tors. theta energy: -5.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -37.285460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.285460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.285460 (E_RNA)
where:
Base-Base interactions energy: -13.468
where: short stacking energy: -13.468
Base-Backbone interact. energy: -0.013
local terms energy: -23.804750
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.338
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -1.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -33.130955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.130955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.130955 (E_RNA)
where:
Base-Base interactions energy: -9.318
where: short stacking energy: -9.318
Base-Backbone interact. energy: 1.093
local terms energy: -24.905771
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.950
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -34.101870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.101870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.101870 (E_RNA)
where:
Base-Base interactions energy: -14.100
where: short stacking energy: -14.100
Base-Backbone interact. energy: -0.000
local terms energy: -20.001439
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -5.276
flat angles C4'-P-C4' energy: -3.676
flat angles P-C4'-P energy: -2.754
tors. eta vs tors. theta energy: -2.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -31.784558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.784558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.784558 (E_RNA)
where:
Base-Base interactions energy: -11.131
where: short stacking energy: -8.819
Base-Backbone interact. energy: -0.316
local terms energy: -20.337576
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -5.892
flat angles C4'-P-C4' energy: -4.515
flat angles P-C4'-P energy: -2.917
tors. eta vs tors. theta energy: -1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -34.172463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.172463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.172463 (E_RNA)
where:
Base-Base interactions energy: -14.592
where: short stacking energy: -14.592
Base-Backbone interact. energy: 0.157
local terms energy: -19.738020
where:
bonds (distance) C4'-P energy: -1.378
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -5.538
flat angles P-C4'-P energy: -4.008
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: 9, replica: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -35.679526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.679526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.679526 (E_RNA)
where:
Base-Base interactions energy: -20.378
where: short stacking energy: -7.881
Base-Backbone interact. energy: -0.058
local terms energy: -15.244080
where:
bonds (distance) C4'-P energy: -5.145
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -1.180
flat angles P-C4'-P energy: -3.732
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: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -32.550879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.550879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.550879 (E_RNA)
where:
Base-Base interactions energy: -8.625
where: short stacking energy: -9.091
Base-Backbone interact. energy: -0.082
local terms energy: -23.843490
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -6.498
flat angles P-C4'-P energy: -4.410
tors. eta vs tors. theta energy: -1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -52.245891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.245891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.245891 (E_RNA)
where:
Base-Base interactions energy: -26.696
where: short stacking energy: -17.370
Base-Backbone interact. energy: -0.002
local terms energy: -25.547811
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.846
flat angles P-C4'-P energy: -2.910
tors. eta vs tors. theta energy: -3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -48.427188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.427188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.427188 (E_RNA)
where:
Base-Base interactions energy: -22.873
where: short stacking energy: -22.873
Base-Backbone interact. energy: -0.000
local terms energy: -25.554024
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -3.559
flat angles P-C4'-P energy: -3.253
tors. eta vs tors. theta energy: -7.507
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: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -45.698353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.698353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.698353 (E_RNA)
where:
Base-Base interactions energy: -20.180
where: short stacking energy: -20.180
Base-Backbone interact. energy: -0.000
local terms energy: -25.518699
where:
bonds (distance) C4'-P energy: -3.477
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -5.342
flat angles P-C4'-P energy: -3.300
tors. eta vs tors. theta energy: -7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -43.132995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.132995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.132995 (E_RNA)
where:
Base-Base interactions energy: -20.565
where: short stacking energy: -20.565
Base-Backbone interact. energy: -0.000
local terms energy: -22.567926
where:
bonds (distance) C4'-P energy: -2.650
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -4.598
flat angles P-C4'-P energy: -3.198
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -37.618082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.618082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.618082 (E_RNA)
where:
Base-Base interactions energy: -15.271
where: short stacking energy: -15.271
Base-Backbone interact. energy: -0.000
local terms energy: -22.347223
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -3.601
flat angles P-C4'-P energy: -4.028
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: 6, replica: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -43.242563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.242563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.242563 (E_RNA)
where:
Base-Base interactions energy: -18.712
where: short stacking energy: -18.712
Base-Backbone interact. energy: -0.002
local terms energy: -24.528402
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -5.995
flat angles C4'-P-C4' energy: -4.797
flat angles P-C4'-P energy: -3.576
tors. eta vs tors. theta energy: -5.140
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: 2
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -42.625397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.625397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.625397 (E_RNA)
where:
Base-Base interactions energy: -16.150
where: short stacking energy: -16.150
Base-Backbone interact. energy: -0.000
local terms energy: -26.475078
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.023
flat angles P-C4'-P energy: -4.566
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: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -31.547038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.547038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.547038 (E_RNA)
where:
Base-Base interactions energy: -7.051
where: short stacking energy: -7.051
Base-Backbone interact. energy: -0.005
local terms energy: -24.491015
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.453
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -31.876331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.876331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.876331 (E_RNA)
where:
Base-Base interactions energy: -10.662
where: short stacking energy: -10.662
Base-Backbone interact. energy: -0.015
local terms energy: -21.199212
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -5.730
flat angles C4'-P-C4' energy: -5.891
flat angles P-C4'-P energy: -2.677
tors. eta vs tors. theta energy: -1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -27.749840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.749840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.749840 (E_RNA)
where:
Base-Base interactions energy: -12.081
where: short stacking energy: -5.240
Base-Backbone interact. energy: -0.075
local terms energy: -15.594084
where:
bonds (distance) C4'-P energy: -4.727
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -2.878
flat angles P-C4'-P energy: -1.430
tors. eta vs tors. theta energy: -0.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -55.269595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.269595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.269595 (E_RNA)
where:
Base-Base interactions energy: -27.134
where: short stacking energy: -27.134
Base-Backbone interact. energy: -0.000
local terms energy: -28.135816
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -5.279
flat angles C4'-P-C4' energy: -6.400
flat angles P-C4'-P energy: -2.768
tors. eta vs tors. theta energy: -8.215
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: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -50.280983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.280983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.280983 (E_RNA)
where:
Base-Base interactions energy: -22.182
where: short stacking energy: -22.182
Base-Backbone interact. energy: -0.000
local terms energy: -28.099051
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.784
flat angles P-C4'-P energy: -4.269
tors. eta vs tors. theta energy: -6.121
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: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -45.696797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.696797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.696797 (E_RNA)
where:
Base-Base interactions energy: -21.173
where: short stacking energy: -13.856
Base-Backbone interact. energy: -0.001
local terms energy: -24.523582
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -4.519
flat angles P-C4'-P energy: -3.950
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -50.510283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.510283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.510283 (E_RNA)
where:
Base-Base interactions energy: -22.499
where: short stacking energy: -22.499
Base-Backbone interact. energy: -0.000
local terms energy: -28.010841
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -6.089
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -4.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -43.103587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.103587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.103587 (E_RNA)
where:
Base-Base interactions energy: -19.558
where: short stacking energy: -19.558
Base-Backbone interact. energy: -0.018
local terms energy: -23.527527
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -4.869
flat angles P-C4'-P energy: -3.684
tors. eta vs tors. theta energy: -4.586
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: 2
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -39.299356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.299356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.299356 (E_RNA)
where:
Base-Base interactions energy: -14.215
where: short stacking energy: -14.215
Base-Backbone interact. energy: -0.000
local terms energy: -25.084614
where:
bonds (distance) C4'-P energy: -5.341
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -5.341
flat angles P-C4'-P energy: -3.839
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: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -36.626567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.626567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.626567 (E_RNA)
where:
Base-Base interactions energy: -19.845
where: short stacking energy: -10.291
Base-Backbone interact. energy: -0.036
local terms energy: -16.745438
where:
bonds (distance) C4'-P energy: -5.626
bonds (distance) P-C4' energy: -3.169
flat angles C4'-P-C4' energy: -6.044
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: 2.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -38.612240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.612240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.612240 (E_RNA)
where:
Base-Base interactions energy: -15.544
where: short stacking energy: -15.544
Base-Backbone interact. energy: -0.268
local terms energy: -22.800604
where:
bonds (distance) C4'-P energy: -3.328
bonds (distance) P-C4' energy: -5.203
flat angles C4'-P-C4' energy: -4.998
flat angles P-C4'-P energy: -4.816
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: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -36.544486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.544486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.544486 (E_RNA)
where:
Base-Base interactions energy: -14.409
where: short stacking energy: -14.409
Base-Backbone interact. energy: -0.079
local terms energy: -22.057105
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -4.617
flat angles C4'-P-C4' energy: -3.314
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -34.878458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.878458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.878458 (E_RNA)
where:
Base-Base interactions energy: -12.012
where: short stacking energy: -12.012
Base-Backbone interact. energy: -0.063
local terms energy: -22.803876
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -5.131
flat angles C4'-P-C4' energy: -4.981
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: -4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -50.217480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.217480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.217480 (E_RNA)
where:
Base-Base interactions energy: -21.782
where: short stacking energy: -21.782
Base-Backbone interact. energy: -0.000
local terms energy: -28.435519
where:
bonds (distance) C4'-P energy: -5.047
bonds (distance) P-C4' energy: -6.368
flat angles C4'-P-C4' energy: -5.168
flat angles P-C4'-P energy: -4.539
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: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -52.678632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.678632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.678632 (E_RNA)
where:
Base-Base interactions energy: -24.573
where: short stacking energy: -24.573
Base-Backbone interact. energy: -0.000
local terms energy: -28.105515
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -5.298
flat angles P-C4'-P energy: -3.354
tors. eta vs tors. theta energy: -7.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -45.803563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.803563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.803563 (E_RNA)
where:
Base-Base interactions energy: -20.772
where: short stacking energy: -20.772
Base-Backbone interact. energy: -0.000
local terms energy: -25.031945
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.589
flat angles P-C4'-P energy: -4.074
tors. eta vs tors. theta energy: -3.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -45.830370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.830370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.830370 (E_RNA)
where:
Base-Base interactions energy: -20.822
where: short stacking energy: -20.822
Base-Backbone interact. energy: -0.000
local terms energy: -25.008009
where:
bonds (distance) C4'-P energy: -4.238
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -5.531
flat angles P-C4'-P energy: -2.353
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: 5, replica: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -42.468379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.468379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.468379 (E_RNA)
where:
Base-Base interactions energy: -19.296
where: short stacking energy: -19.296
Base-Backbone interact. energy: -0.003
local terms energy: -23.169767
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.700
flat angles P-C4'-P energy: -3.019
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -43.650188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.650188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.650188 (E_RNA)
where:
Base-Base interactions energy: -18.786
where: short stacking energy: -18.786
Base-Backbone interact. energy: -0.000
local terms energy: -24.864636
where:
bonds (distance) C4'-P energy: -4.557
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -5.546
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -35.020899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.020899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.020899 (E_RNA)
where:
Base-Base interactions energy: -14.100
where: short stacking energy: -14.100
Base-Backbone interact. energy: -0.007
local terms energy: -20.914058
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.937
flat angles P-C4'-P energy: -2.776
tors. eta vs tors. theta energy: -1.130
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: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -32.311323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.311323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.311323 (E_RNA)
where:
Base-Base interactions energy: -11.922
where: short stacking energy: -11.922
Base-Backbone interact. energy: -0.053
local terms energy: -20.336888
where:
bonds (distance) C4'-P energy: -3.617
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -5.515
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -35.687939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.687939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.687939 (E_RNA)
where:
Base-Base interactions energy: -15.581
where: short stacking energy: -15.581
Base-Backbone interact. energy: -0.003
local terms energy: -20.104461
where:
bonds (distance) C4'-P energy: -2.690
bonds (distance) P-C4' energy: -4.621
flat angles C4'-P-C4' energy: -6.220
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: -1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -34.069034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.069034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.069034 (E_RNA)
where:
Base-Base interactions energy: -14.372
where: short stacking energy: -14.191
Base-Backbone interact. energy: -0.125
local terms energy: -19.571433
where:
bonds (distance) C4'-P energy: -3.643
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -4.146
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -52.899533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.899533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.899533 (E_RNA)
where:
Base-Base interactions energy: -23.218
where: short stacking energy: -23.218
Base-Backbone interact. energy: -0.000
local terms energy: -29.681355
where:
bonds (distance) C4'-P energy: -4.570
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.420
flat angles P-C4'-P energy: -4.901
tors. eta vs tors. theta energy: -6.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -42.587800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.587800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.587800 (E_RNA)
where:
Base-Base interactions energy: -16.837
where: short stacking energy: -16.837
Base-Backbone interact. energy: -0.000
local terms energy: -25.751232
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.057
flat angles P-C4'-P energy: -4.529
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: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -49.867478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.867478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.867478 (E_RNA)
where:
Base-Base interactions energy: -22.345
where: short stacking energy: -22.345
Base-Backbone interact. energy: -0.000
local terms energy: -27.522481
where:
bonds (distance) C4'-P energy: -5.804
bonds (distance) P-C4' energy: -5.843
flat angles C4'-P-C4' energy: -5.727
flat angles P-C4'-P energy: -4.502
tors. eta vs tors. theta energy: -5.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -44.344645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.344645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.344645 (E_RNA)
where:
Base-Base interactions energy: -20.280
where: short stacking energy: -19.189
Base-Backbone interact. energy: -0.378
local terms energy: -23.686803
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -4.142
flat angles C4'-P-C4' energy: -5.498
flat angles P-C4'-P energy: -4.571
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -42.208257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.208257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.208257 (E_RNA)
where:
Base-Base interactions energy: -18.569
where: short stacking energy: -9.457
Base-Backbone interact. energy: -0.142
local terms energy: -23.496701
where:
bonds (distance) C4'-P energy: -3.854
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -5.129
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -2.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -38.619572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.619572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.619572 (E_RNA)
where:
Base-Base interactions energy: -16.389
where: short stacking energy: -16.389
Base-Backbone interact. energy: -0.000
local terms energy: -22.231009
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -3.573
flat angles C4'-P-C4' energy: -6.446
flat angles P-C4'-P energy: -0.855
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: 7, replica: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -36.097867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.097867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.097867 (E_RNA)
where:
Base-Base interactions energy: -13.057
where: short stacking energy: -12.902
Base-Backbone interact. energy: -0.020
local terms energy: -23.020409
where:
bonds (distance) C4'-P energy: -5.287
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -4.948
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -0.914
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: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -35.251276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.251276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.251276 (E_RNA)
where:
Base-Base interactions energy: -12.857
where: short stacking energy: -12.857
Base-Backbone interact. energy: -0.025
local terms energy: -22.369767
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -4.448
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: 0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -31.180957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.180957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.180957 (E_RNA)
where:
Base-Base interactions energy: -11.946
where: short stacking energy: -10.459
Base-Backbone interact. energy: -0.004
local terms energy: -19.231163
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.119
flat angles P-C4'-P energy: -1.950
tors. eta vs tors. theta energy: -2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -31.105392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.105392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.105392 (E_RNA)
where:
Base-Base interactions energy: -10.442
where: short stacking energy: -10.442
Base-Backbone interact. energy: -0.096
local terms energy: -20.567148
where:
bonds (distance) C4'-P energy: -5.716
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -4.407
flat angles P-C4'-P energy: -2.826
tors. eta vs tors. theta energy: -0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -49.518331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.518331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.518331 (E_RNA)
where:
Base-Base interactions energy: -24.419
where: short stacking energy: -24.419
Base-Backbone interact. energy: -0.001
local terms energy: -25.098329
where:
bonds (distance) C4'-P energy: -4.616
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -4.775
flat angles P-C4'-P energy: -5.023
tors. eta vs tors. theta energy: -4.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -47.420955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.420955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.420955 (E_RNA)
where:
Base-Base interactions energy: -26.607
where: short stacking energy: -13.681
Base-Backbone interact. energy: -0.041
local terms energy: -20.773190
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.131
flat angles C4'-P-C4' energy: -6.117
flat angles P-C4'-P energy: -4.360
tors. eta vs tors. theta energy: 1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -47.951965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.951965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.951965 (E_RNA)
where:
Base-Base interactions energy: -22.007
where: short stacking energy: -22.007
Base-Backbone interact. energy: -0.000
local terms energy: -25.944500
where:
bonds (distance) C4'-P energy: -5.365
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.484
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -41.140448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.140448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.140448 (E_RNA)
where:
Base-Base interactions energy: -19.754
where: short stacking energy: -19.754
Base-Backbone interact. energy: -0.011
local terms energy: -21.376176
where:
bonds (distance) C4'-P energy: -2.574
bonds (distance) P-C4' energy: -5.537
flat angles C4'-P-C4' energy: -5.633
flat angles P-C4'-P energy: -2.710
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: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -37.835075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.835075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.835075 (E_RNA)
where:
Base-Base interactions energy: -13.646
where: short stacking energy: -13.646
Base-Backbone interact. energy: -0.028
local terms energy: -24.161358
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.668
flat angles C4'-P-C4' energy: -5.732
flat angles P-C4'-P energy: -2.464
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -31.406035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.406035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.406035 (E_RNA)
where:
Base-Base interactions energy: -16.743
where: short stacking energy: -4.535
Base-Backbone interact. energy: -0.369
local terms energy: -14.294069
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -2.139
flat angles P-C4'-P energy: -2.178
tors. eta vs tors. theta energy: 1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -38.237290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.237290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.237290 (E_RNA)
where:
Base-Base interactions energy: -16.817
where: short stacking energy: -16.817
Base-Backbone interact. energy: -0.000
local terms energy: -21.420578
where:
bonds (distance) C4'-P energy: -3.654
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -3.692
flat angles P-C4'-P energy: -4.746
tors. eta vs tors. theta energy: -3.111
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: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -33.558928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.558928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.558928 (E_RNA)
where:
Base-Base interactions energy: -12.052
where: short stacking energy: -12.052
Base-Backbone interact. energy: -0.000
local terms energy: -21.506692
where:
bonds (distance) C4'-P energy: -4.727
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -2.485
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -2.075
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: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -34.944472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.944472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.944472 (E_RNA)
where:
Base-Base interactions energy: -11.899
where: short stacking energy: -11.899
Base-Backbone interact. energy: -0.014
local terms energy: -23.032012
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -3.784
flat angles P-C4'-P energy: -2.702
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -31.160354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.160354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.160354 (E_RNA)
where:
Base-Base interactions energy: -13.833
where: short stacking energy: -13.833
Base-Backbone interact. energy: -0.015
local terms energy: -17.311864
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -2.374
flat angles C4'-P-C4' energy: -5.517
flat angles P-C4'-P energy: -1.048
tors. eta vs tors. theta energy: -2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -50.134280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.134280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.134280 (E_RNA)
where:
Base-Base interactions energy: -23.576
where: short stacking energy: -23.576
Base-Backbone interact. energy: -0.000
local terms energy: -26.558479
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -3.050
flat angles P-C4'-P energy: -3.423
tors. eta vs tors. theta energy: -7.977
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: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -46.324251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.324251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.324251 (E_RNA)
where:
Base-Base interactions energy: -21.158
where: short stacking energy: -21.158
Base-Backbone interact. energy: -0.000
local terms energy: -25.166169
where:
bonds (distance) C4'-P energy: -6.139
bonds (distance) P-C4' energy: -5.515
flat angles C4'-P-C4' energy: -4.948
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -45.555366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.555366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.555366 (E_RNA)
where:
Base-Base interactions energy: -18.963
where: short stacking energy: -18.772
Base-Backbone interact. energy: -1.332
local terms energy: -25.259751
where:
bonds (distance) C4'-P energy: -4.587
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.797
flat angles P-C4'-P energy: -4.118
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: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -46.367833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.367833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.367833 (E_RNA)
where:
Base-Base interactions energy: -21.298
where: short stacking energy: -21.298
Base-Backbone interact. energy: -0.000
local terms energy: -25.069331
where:
bonds (distance) C4'-P energy: -4.293
bonds (distance) P-C4' energy: -4.662
flat angles C4'-P-C4' energy: -5.678
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -38.971721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.971721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.971721 (E_RNA)
where:
Base-Base interactions energy: -14.021
where: short stacking energy: -14.021
Base-Backbone interact. energy: -0.000
local terms energy: -24.950924
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.883
flat angles P-C4'-P energy: -4.252
tors. eta vs tors. theta energy: -2.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -35.223379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.223379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.223379 (E_RNA)
where:
Base-Base interactions energy: -16.433
where: short stacking energy: -10.128
Base-Backbone interact. energy: -0.026
local terms energy: -18.764647
where:
bonds (distance) C4'-P energy: -5.109
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -4.819
flat angles P-C4'-P energy: -2.367
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -36.906245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.906245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.906245 (E_RNA)
where:
Base-Base interactions energy: -15.566
where: short stacking energy: -9.999
Base-Backbone interact. energy: -0.002
local terms energy: -21.338372
where:
bonds (distance) C4'-P energy: -4.731
bonds (distance) P-C4' energy: -3.231
flat angles C4'-P-C4' energy: -5.451
flat angles P-C4'-P energy: -4.364
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -37.033682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.033682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.033682 (E_RNA)
where:
Base-Base interactions energy: -17.712
where: short stacking energy: -17.712
Base-Backbone interact. energy: -0.000
local terms energy: -19.321637
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.684
flat angles P-C4'-P energy: -0.578
tors. eta vs tors. theta energy: -2.185
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: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -35.240032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.240032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.240032 (E_RNA)
where:
Base-Base interactions energy: -15.212
where: short stacking energy: -15.212
Base-Backbone interact. energy: -0.034
local terms energy: -19.994094
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -2.868
flat angles P-C4'-P energy: -2.801
tors. eta vs tors. theta energy: -2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -31.805597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.805597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.805597 (E_RNA)
where:
Base-Base interactions energy: -11.851
where: short stacking energy: -11.851
Base-Backbone interact. energy: -0.003
local terms energy: -19.951727
where:
bonds (distance) C4'-P energy: -2.604
bonds (distance) P-C4' energy: -6.460
flat angles C4'-P-C4' energy: -4.850
flat angles P-C4'-P energy: -2.893
tors. eta vs tors. theta energy: -3.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -57.651873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.651873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.651873 (E_RNA)
where:
Base-Base interactions energy: -33.346
where: short stacking energy: -14.293
Base-Backbone interact. energy: -0.356
local terms energy: -23.949162
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -6.168
flat angles P-C4'-P energy: -4.491
tors. eta vs tors. theta energy: -2.458
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: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -50.652162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.652162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.652162 (E_RNA)
where:
Base-Base interactions energy: -20.757
where: short stacking energy: -20.757
Base-Backbone interact. energy: -0.000
local terms energy: -29.895638
where:
bonds (distance) C4'-P energy: -4.126
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -5.822
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: -7.798
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: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -49.857940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.857940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.857940 (E_RNA)
where:
Base-Base interactions energy: -28.773
where: short stacking energy: -14.497
Base-Backbone interact. energy: -0.002
local terms energy: -21.082940
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -6.507
flat angles P-C4'-P energy: -2.461
tors. eta vs tors. theta energy: -0.754
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: 4
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -44.045147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.045147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.045147 (E_RNA)
where:
Base-Base interactions energy: -19.928
where: short stacking energy: -16.705
Base-Backbone interact. energy: -0.000
local terms energy: -24.117111
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -5.164
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: -2.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -37.639725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.639725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.639725 (E_RNA)
where:
Base-Base interactions energy: -15.024
where: short stacking energy: -7.730
Base-Backbone interact. energy: -0.025
local terms energy: -22.590061
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -5.541
flat angles C4'-P-C4' energy: -5.351
flat angles P-C4'-P energy: -4.929
tors. eta vs tors. theta energy: -0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -44.418945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.418945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.418945 (E_RNA)
where:
Base-Base interactions energy: -16.803
where: short stacking energy: -16.803
Base-Backbone interact. energy: -0.000
local terms energy: -27.616094
where:
bonds (distance) C4'-P energy: -5.233
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.867
flat angles P-C4'-P energy: -3.419
tors. eta vs tors. theta energy: -5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -39.615387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.615387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.615387 (E_RNA)
where:
Base-Base interactions energy: -19.102
where: short stacking energy: -19.102
Base-Backbone interact. energy: -0.000
local terms energy: -20.512873
where:
bonds (distance) C4'-P energy: -5.252
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -4.437
flat angles P-C4'-P energy: -0.774
tors. eta vs tors. theta energy: -4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -35.442552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.442552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.442552 (E_RNA)
where:
Base-Base interactions energy: -12.955
where: short stacking energy: -12.955
Base-Backbone interact. energy: -0.030
local terms energy: -22.457971
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -4.432
flat angles P-C4'-P energy: -4.379
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: 9, replica: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -32.829540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.829540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.829540 (E_RNA)
where:
Base-Base interactions energy: -14.788
where: short stacking energy: -11.268
Base-Backbone interact. energy: -0.003
local terms energy: -18.038428
where:
bonds (distance) C4'-P energy: -4.694
bonds (distance) P-C4' energy: -4.733
flat angles C4'-P-C4' energy: -4.314
flat angles P-C4'-P energy: -2.480
tors. eta vs tors. theta energy: -1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -31.278785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.278785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.278785 (E_RNA)
where:
Base-Base interactions energy: -10.091
where: short stacking energy: -10.091
Base-Backbone interact. energy: -0.101
local terms energy: -21.086759
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.163
flat angles P-C4'-P energy: -1.739
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -57.629893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.629893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.629893 (E_RNA)
where:
Base-Base interactions energy: -30.774
where: short stacking energy: -14.164
Base-Backbone interact. energy: -0.083
local terms energy: -26.773325
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -6.201
flat angles P-C4'-P energy: -3.093
tors. eta vs tors. theta energy: -5.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -52.823357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.823357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.823357 (E_RNA)
where:
Base-Base interactions energy: -29.701
where: short stacking energy: -17.033
Base-Backbone interact. energy: -0.001
local terms energy: -23.121353
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.384
flat angles P-C4'-P energy: -1.850
tors. eta vs tors. theta energy: -3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -41.128616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.128616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.128616 (E_RNA)
where:
Base-Base interactions energy: -14.779
where: short stacking energy: -14.779
Base-Backbone interact. energy: -0.000
local terms energy: -26.350049
where:
bonds (distance) C4'-P energy: -4.628
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -5.138
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -51.597195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.597195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.597195 (E_RNA)
where:
Base-Base interactions energy: -25.316
where: short stacking energy: -25.316
Base-Backbone interact. energy: -0.000
local terms energy: -26.281046
where:
bonds (distance) C4'-P energy: -4.703
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.851
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: -6.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -40.228774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.228774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.228774 (E_RNA)
where:
Base-Base interactions energy: -16.461
where: short stacking energy: -15.262
Base-Backbone interact. energy: -0.027
local terms energy: -23.741360
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.902
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -35.284997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.284997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.284997 (E_RNA)
where:
Base-Base interactions energy: -14.988
where: short stacking energy: -14.988
Base-Backbone interact. energy: -0.011
local terms energy: -20.286195
where:
bonds (distance) C4'-P energy: -2.592
bonds (distance) P-C4' energy: -5.730
flat angles C4'-P-C4' energy: -5.615
flat angles P-C4'-P energy: -3.812
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -40.904265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.904265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.904265 (E_RNA)
where:
Base-Base interactions energy: -17.729
where: short stacking energy: -17.729
Base-Backbone interact. energy: -0.025
local terms energy: -23.150368
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.180
flat angles P-C4'-P energy: -3.249
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: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -36.317851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.317851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.317851 (E_RNA)
where:
Base-Base interactions energy: -12.004
where: short stacking energy: -12.004
Base-Backbone interact. energy: -0.000
local terms energy: -24.313666
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -6.316
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -3.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -35.317904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.317904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.317904 (E_RNA)
where:
Base-Base interactions energy: -16.669
where: short stacking energy: -16.669
Base-Backbone interact. energy: -0.000
local terms energy: -18.648436
where:
bonds (distance) C4'-P energy: -1.734
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -6.201
flat angles P-C4'-P energy: -2.646
tors. eta vs tors. theta energy: -2.084
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: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -33.630480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.630480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.630480 (E_RNA)
where:
Base-Base interactions energy: -12.615
where: short stacking energy: -12.102
Base-Backbone interact. energy: -0.777
local terms energy: -20.238420
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -5.346
flat angles C4'-P-C4' energy: -2.343
flat angles P-C4'-P energy: -3.852
tors. eta vs tors. theta energy: -3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -52.636975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.636975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.636975 (E_RNA)
where:
Base-Base interactions energy: -23.156
where: short stacking energy: -23.156
Base-Backbone interact. energy: -0.000
local terms energy: -29.480983
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.113
flat angles P-C4'-P energy: -4.815
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: 2, replica: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -54.435430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.435430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.435430 (E_RNA)
where:
Base-Base interactions energy: -31.931
where: short stacking energy: -17.902
Base-Backbone interact. energy: -0.083
local terms energy: -22.421819
where:
bonds (distance) C4'-P energy: -5.306
bonds (distance) P-C4' energy: -4.684
flat angles C4'-P-C4' energy: -5.677
flat angles P-C4'-P energy: -2.790
tors. eta vs tors. theta energy: -3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -49.450345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.450345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.450345 (E_RNA)
where:
Base-Base interactions energy: -23.236
where: short stacking energy: -23.236
Base-Backbone interact. energy: -0.000
local terms energy: -26.213925
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -5.146
flat angles C4'-P-C4' energy: -4.134
flat angles P-C4'-P energy: -4.131
tors. eta vs tors. theta energy: -6.991
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: 226
Temperature: 1.050000
Total energy: -40.917300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.917300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.917300 (E_RNA)
where:
Base-Base interactions energy: -20.287
where: short stacking energy: -10.105
Base-Backbone interact. energy: -1.006
local terms energy: -19.623831
where:
bonds (distance) C4'-P energy: -3.212
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -6.269
flat angles P-C4'-P energy: -2.962
tors. eta vs tors. theta energy: -2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -40.944964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.944964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.944964 (E_RNA)
where:
Base-Base interactions energy: -27.263
where: short stacking energy: -10.899
Base-Backbone interact. energy: -0.093
local terms energy: -13.588899
where:
bonds (distance) C4'-P energy: -1.694
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -4.018
flat angles P-C4'-P energy: -2.537
tors. eta vs tors. theta energy: 1.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -30.967880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.967880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.967880 (E_RNA)
where:
Base-Base interactions energy: -12.951
where: short stacking energy: -10.693
Base-Backbone interact. energy: -0.004
local terms energy: -18.012328
where:
bonds (distance) C4'-P energy: -4.180
bonds (distance) P-C4' energy: -5.442
flat angles C4'-P-C4' energy: -4.110
flat angles P-C4'-P energy: -2.284
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -33.595716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.595716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.595716 (E_RNA)
where:
Base-Base interactions energy: -13.391
where: short stacking energy: -13.391
Base-Backbone interact. energy: -0.004
local terms energy: -20.201561
where:
bonds (distance) C4'-P energy: -4.276
bonds (distance) P-C4' energy: -3.653
flat angles C4'-P-C4' energy: -5.364
flat angles P-C4'-P energy: -3.440
tors. eta vs tors. theta energy: -3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -33.969596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.969596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.969596 (E_RNA)
where:
Base-Base interactions energy: -15.419
where: short stacking energy: -15.419
Base-Backbone interact. energy: -0.004
local terms energy: -18.547039
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -4.634
flat angles P-C4'-P energy: -1.497
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: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -34.972731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.972731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.972731 (E_RNA)
where:
Base-Base interactions energy: -11.776
where: short stacking energy: -11.776
Base-Backbone interact. energy: -0.001
local terms energy: -23.195878
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.551
flat angles P-C4'-P energy: -2.006
tors. eta vs tors. theta energy: -4.171
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: 1
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -34.677016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.677016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.677016 (E_RNA)
where:
Base-Base interactions energy: -12.401
where: short stacking energy: -12.401
Base-Backbone interact. energy: -0.000
local terms energy: -22.276337
where:
bonds (distance) C4'-P energy: -4.740
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -5.533
flat angles P-C4'-P energy: -1.666
tors. eta vs tors. theta energy: -3.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -40.099596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.099596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.099596 (E_RNA)
where:
Base-Base interactions energy: -12.749
where: short stacking energy: -12.749
Base-Backbone interact. energy: -1.670
local terms energy: -25.680369
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.112
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -44.557950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.557950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.557950 (E_RNA)
where:
Base-Base interactions energy: -19.562
where: short stacking energy: -19.562
Base-Backbone interact. energy: -0.000
local terms energy: -24.996110
where:
bonds (distance) C4'-P energy: -3.203
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.255
flat angles P-C4'-P energy: -3.847
tors. eta vs tors. theta energy: -4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -47.342658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.342658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.342658 (E_RNA)
where:
Base-Base interactions energy: -20.377
where: short stacking energy: -20.377
Base-Backbone interact. energy: 0.258
local terms energy: -27.223584
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.145
flat angles P-C4'-P energy: -4.897
tors. eta vs tors. theta energy: -5.361
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: 9
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -45.951779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.951779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.951779 (E_RNA)
where:
Base-Base interactions energy: -21.883
where: short stacking energy: -21.883
Base-Backbone interact. energy: -0.000
local terms energy: -24.069105
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -3.292
tors. eta vs tors. theta energy: -5.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -39.814961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.814961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.814961 (E_RNA)
where:
Base-Base interactions energy: -17.864
where: short stacking energy: -17.756
Base-Backbone interact. energy: -0.000
local terms energy: -21.950544
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -5.189
flat angles C4'-P-C4' energy: -3.787
flat angles P-C4'-P energy: -3.975
tors. eta vs tors. theta energy: -3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -38.269683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.269683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.269683 (E_RNA)
where:
Base-Base interactions energy: -12.538
where: short stacking energy: -12.538
Base-Backbone interact. energy: -0.092
local terms energy: -25.639155
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -6.063
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -2.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -34.233537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.233537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.233537 (E_RNA)
where:
Base-Base interactions energy: -16.550
where: short stacking energy: -16.550
Base-Backbone interact. energy: -0.000
local terms energy: -17.683893
where:
bonds (distance) C4'-P energy: -4.985
bonds (distance) P-C4' energy: -4.002
flat angles C4'-P-C4' energy: -1.243
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -40.489094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.489094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.489094 (E_RNA)
where:
Base-Base interactions energy: -20.222
where: short stacking energy: -16.300
Base-Backbone interact. energy: -1.454
local terms energy: -18.813203
where:
bonds (distance) C4'-P energy: -4.570
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -4.165
flat angles P-C4'-P energy: -1.259
tors. eta vs tors. theta energy: -2.832
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: 9, replica: 2
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -35.018835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.018835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.018835 (E_RNA)
where:
Base-Base interactions energy: -13.105
where: short stacking energy: -13.105
Base-Backbone interact. energy: -0.000
local terms energy: -21.913631
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -4.991
flat angles P-C4'-P energy: -3.842
tors. eta vs tors. theta energy: -0.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -34.220228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.220228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.220228 (E_RNA)
where:
Base-Base interactions energy: -18.202
where: short stacking energy: -8.340
Base-Backbone interact. energy: 0.795
local terms energy: -16.812812
where:
bonds (distance) C4'-P energy: -3.912
bonds (distance) P-C4' energy: -5.674
flat angles C4'-P-C4' energy: -4.239
flat angles P-C4'-P energy: -2.787
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: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -52.197609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.197609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.197609 (E_RNA)
where:
Base-Base interactions energy: -31.392
where: short stacking energy: -14.770
Base-Backbone interact. energy: -0.075
local terms energy: -20.730692
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -5.441
flat angles C4'-P-C4' energy: -4.879
flat angles P-C4'-P energy: -1.063
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: 2, replica: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -40.997066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.997066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.997066 (E_RNA)
where:
Base-Base interactions energy: -17.758
where: short stacking energy: -17.758
Base-Backbone interact. energy: -0.087
local terms energy: -23.152271
where:
bonds (distance) C4'-P energy: -2.657
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.482
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: -3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -38.671720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.671720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.671720 (E_RNA)
where:
Base-Base interactions energy: -15.502
where: short stacking energy: -15.502
Base-Backbone interact. energy: -0.000
local terms energy: -23.169896
where:
bonds (distance) C4'-P energy: -4.285
bonds (distance) P-C4' energy: -6.132
flat angles C4'-P-C4' energy: -5.943
flat angles P-C4'-P energy: -3.010
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -44.038825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.038825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.038825 (E_RNA)
where:
Base-Base interactions energy: -19.468
where: short stacking energy: -19.468
Base-Backbone interact. energy: -0.008
local terms energy: -24.562517
where:
bonds (distance) C4'-P energy: -5.315
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.903
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -39.771246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.771246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.771246 (E_RNA)
where:
Base-Base interactions energy: -14.504
where: short stacking energy: -14.504
Base-Backbone interact. energy: -0.081
local terms energy: -25.186311
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -5.712
flat angles P-C4'-P energy: -4.793
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: 6, replica: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -37.891204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.891204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.891204 (E_RNA)
where:
Base-Base interactions energy: -22.378
where: short stacking energy: -14.246
Base-Backbone interact. energy: -0.088
local terms energy: -15.424813
where:
bonds (distance) C4'-P energy: -3.981
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -3.054
flat angles P-C4'-P energy: 1.865
tors. eta vs tors. theta energy: -3.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -34.390640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.390640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.390640 (E_RNA)
where:
Base-Base interactions energy: -12.139
where: short stacking energy: -12.139
Base-Backbone interact. energy: 0.199
local terms energy: -22.451128
where:
bonds (distance) C4'-P energy: -3.423
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -6.268
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -31.552086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.552086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.552086 (E_RNA)
where:
Base-Base interactions energy: -12.791
where: short stacking energy: -9.742
Base-Backbone interact. energy: -0.114
local terms energy: -18.647020
where:
bonds (distance) C4'-P energy: -4.690
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -1.782
flat angles P-C4'-P energy: -3.845
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -35.068379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.068379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.068379 (E_RNA)
where:
Base-Base interactions energy: -12.970
where: short stacking energy: -12.970
Base-Backbone interact. energy: -0.002
local terms energy: -22.097093
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -4.721
flat angles P-C4'-P energy: -3.258
tors. eta vs tors. theta energy: -1.273
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: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -37.237935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.237935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.237935 (E_RNA)
where:
Base-Base interactions energy: -17.431
where: short stacking energy: -5.520
Base-Backbone interact. energy: -0.085
local terms energy: -19.721929
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -5.833
flat angles C4'-P-C4' energy: -5.177
flat angles P-C4'-P energy: -2.546
tors. eta vs tors. theta energy: -0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -56.365975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.365975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.365975 (E_RNA)
where:
Base-Base interactions energy: -33.049
where: short stacking energy: -17.903
Base-Backbone interact. energy: -0.004
local terms energy: -23.312806
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.579
flat angles P-C4'-P energy: -3.361
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -50.117632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.117632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.117632 (E_RNA)
where:
Base-Base interactions energy: -20.875
where: short stacking energy: -20.875
Base-Backbone interact. energy: -0.000
local terms energy: -29.242630
where:
bonds (distance) C4'-P energy: -5.982
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -3.621
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: 3, replica: 10
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -42.285907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.285907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.285907 (E_RNA)
where:
Base-Base interactions energy: -16.977
where: short stacking energy: -16.977
Base-Backbone interact. energy: -0.000
local terms energy: -25.309095
where:
bonds (distance) C4'-P energy: -5.360
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -6.410
flat angles P-C4'-P energy: -3.340
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: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -44.154604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.154604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.154604 (E_RNA)
where:
Base-Base interactions energy: -19.131
where: short stacking energy: -19.131
Base-Backbone interact. energy: -0.000
local terms energy: -25.023323
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -4.051
flat angles P-C4'-P energy: -2.641
tors. eta vs tors. theta energy: -5.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -39.413286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.413286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.413286 (E_RNA)
where:
Base-Base interactions energy: -17.959
where: short stacking energy: -14.148
Base-Backbone interact. energy: -0.006
local terms energy: -21.448671
where:
bonds (distance) C4'-P energy: -4.354
bonds (distance) P-C4' energy: -5.537
flat angles C4'-P-C4' energy: -4.908
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: -2.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -36.744157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.744157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.744157 (E_RNA)
where:
Base-Base interactions energy: -12.714
where: short stacking energy: -12.714
Base-Backbone interact. energy: -0.000
local terms energy: -24.029996
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -3.758
flat angles P-C4'-P energy: -3.142
tors. eta vs tors. theta energy: -3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -38.192994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.192994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.192994 (E_RNA)
where:
Base-Base interactions energy: -18.925
where: short stacking energy: -14.422
Base-Backbone interact. energy: -0.035
local terms energy: -19.232271
where:
bonds (distance) C4'-P energy: -3.074
bonds (distance) P-C4' energy: -5.671
flat angles C4'-P-C4' energy: -4.703
flat angles P-C4'-P energy: -4.934
tors. eta vs tors. theta energy: -0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -32.772216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.772216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.772216 (E_RNA)
where:
Base-Base interactions energy: -11.959
where: short stacking energy: -11.959
Base-Backbone interact. energy: 0.440
local terms energy: -21.253347
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -4.398
flat angles C4'-P-C4' energy: -4.691
flat angles P-C4'-P energy: -3.278
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -38.431469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.431469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.431469 (E_RNA)
where:
Base-Base interactions energy: -13.367
where: short stacking energy: -13.367
Base-Backbone interact. energy: -0.000
local terms energy: -25.064144
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -5.871
flat angles C4'-P-C4' energy: -4.179
flat angles P-C4'-P energy: -4.678
tors. eta vs tors. theta energy: -4.951
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: 10, replica: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -27.763640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.763640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.763640 (E_RNA)
where:
Base-Base interactions energy: -7.350
where: short stacking energy: -7.350
Base-Backbone interact. energy: -0.000
local terms energy: -20.413354
where:
bonds (distance) C4'-P energy: -4.300
bonds (distance) P-C4' energy: -4.879
flat angles C4'-P-C4' energy: -4.952
flat angles P-C4'-P energy: -4.598
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: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -47.795911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.795911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.795911 (E_RNA)
where:
Base-Base interactions energy: -21.302
where: short stacking energy: -21.302
Base-Backbone interact. energy: -0.005
local terms energy: -26.488561
where:
bonds (distance) C4'-P energy: -6.462
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.978
flat angles P-C4'-P energy: -3.791
tors. eta vs tors. theta energy: -3.805
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: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -55.084389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.084389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.084389 (E_RNA)
where:
Base-Base interactions energy: -30.137
where: short stacking energy: -19.810
Base-Backbone interact. energy: -0.001
local terms energy: -24.946740
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.068
flat angles P-C4'-P energy: -3.554
tors. eta vs tors. theta energy: -2.720
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: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -46.668355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.668355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.668355 (E_RNA)
where:
Base-Base interactions energy: -18.219
where: short stacking energy: -18.219
Base-Backbone interact. energy: -0.000
local terms energy: -28.449586
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.415
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -5.674
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: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -40.866232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.866232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.866232 (E_RNA)
where:
Base-Base interactions energy: -19.083
where: short stacking energy: -8.248
Base-Backbone interact. energy: -0.920
local terms energy: -20.863052
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.000
flat angles P-C4'-P energy: -3.077
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: 5, replica: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -43.181952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.181952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.181952 (E_RNA)
where:
Base-Base interactions energy: -21.178
where: short stacking energy: -21.178
Base-Backbone interact. energy: -0.000
local terms energy: -22.003640
where:
bonds (distance) C4'-P energy: -5.233
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -2.098
flat angles P-C4'-P energy: -2.677
tors. eta vs tors. theta energy: -6.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -42.717791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.717791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.717791 (E_RNA)
where:
Base-Base interactions energy: -19.980
where: short stacking energy: -16.847
Base-Backbone interact. energy: -0.074
local terms energy: -22.663875
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -5.276
flat angles C4'-P-C4' energy: -4.427
flat angles P-C4'-P energy: -4.286
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: 7, replica: 2
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -36.655383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.655383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.655383 (E_RNA)
where:
Base-Base interactions energy: -16.240
where: short stacking energy: -16.240
Base-Backbone interact. energy: -0.010
local terms energy: -20.405136
where:
bonds (distance) C4'-P energy: -2.011
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.060
flat angles P-C4'-P energy: -1.692
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -30.946180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.946180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.946180 (E_RNA)
where:
Base-Base interactions energy: -12.158
where: short stacking energy: -10.802
Base-Backbone interact. energy: -0.002
local terms energy: -18.785467
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -4.392
flat angles P-C4'-P energy: -3.147
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: 9, replica: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -36.663578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.663578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.663578 (E_RNA)
where:
Base-Base interactions energy: -20.208
where: short stacking energy: -14.535
Base-Backbone interact. energy: -0.865
local terms energy: -15.589996
where:
bonds (distance) C4'-P energy: -3.601
bonds (distance) P-C4' energy: -2.795
flat angles C4'-P-C4' energy: -5.271
flat angles P-C4'-P energy: -1.275
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: 10, replica: 4
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -32.758958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.758958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.758958 (E_RNA)
where:
Base-Base interactions energy: -11.821
where: short stacking energy: -11.821
Base-Backbone interact. energy: -0.003
local terms energy: -20.935022
where:
bonds (distance) C4'-P energy: -5.117
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.548
flat angles P-C4'-P energy: -2.955
tors. eta vs tors. theta energy: -1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -54.225041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.225041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.225041 (E_RNA)
where:
Base-Base interactions energy: -25.037
where: short stacking energy: -25.037
Base-Backbone interact. energy: -0.000
local terms energy: -29.188252
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.535
flat angles P-C4'-P energy: -5.045
tors. eta vs tors. theta energy: -6.344
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: 231
Temperature: 0.950000
Total energy: -51.396982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.396982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.396982 (E_RNA)
where:
Base-Base interactions energy: -26.089
where: short stacking energy: -26.089
Base-Backbone interact. energy: -0.000
local terms energy: -25.308188
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -3.308
flat angles P-C4'-P energy: -5.117
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: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -47.572306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.572306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.572306 (E_RNA)
where:
Base-Base interactions energy: -21.715
where: short stacking energy: -21.715
Base-Backbone interact. energy: -0.000
local terms energy: -25.856823
where:
bonds (distance) C4'-P energy: -4.797
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -6.115
flat angles P-C4'-P energy: -2.841
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: 4, replica: 6
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -41.287124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.287124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.287124 (E_RNA)
where:
Base-Base interactions energy: -16.135
where: short stacking energy: -16.135
Base-Backbone interact. energy: -0.006
local terms energy: -25.145788
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -5.887
flat angles P-C4'-P energy: -4.548
tors. eta vs tors. theta energy: -2.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -36.855851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.855851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.855851 (E_RNA)
where:
Base-Base interactions energy: -14.188
where: short stacking energy: -14.188
Base-Backbone interact. energy: -0.048
local terms energy: -22.619417
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.800
flat angles P-C4'-P energy: -2.970
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -33.609719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.609719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.609719 (E_RNA)
where:
Base-Base interactions energy: -13.365
where: short stacking energy: -13.365
Base-Backbone interact. energy: -0.000
local terms energy: -20.244693
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -5.276
flat angles C4'-P-C4' energy: -5.646
flat angles P-C4'-P energy: -3.929
tors. eta vs tors. theta energy: -0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -34.394951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.394951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.394951 (E_RNA)
where:
Base-Base interactions energy: -11.870
where: short stacking energy: -11.870
Base-Backbone interact. energy: -0.000
local terms energy: -22.524908
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -5.248
flat angles P-C4'-P energy: -1.571
tors. eta vs tors. theta energy: -3.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -31.589592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.589592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.589592 (E_RNA)
where:
Base-Base interactions energy: -17.631
where: short stacking energy: -8.971
Base-Backbone interact. energy: -0.500
local terms energy: -13.458543
where:
bonds (distance) C4'-P energy: -2.818
bonds (distance) P-C4' energy: -3.936
flat angles C4'-P-C4' energy: -3.787
flat angles P-C4'-P energy: -2.770
tors. eta vs tors. theta energy: -0.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -31.479107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.479107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.479107 (E_RNA)
where:
Base-Base interactions energy: -10.692
where: short stacking energy: -10.692
Base-Backbone interact. energy: -0.036
local terms energy: -20.751322
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.233
flat angles P-C4'-P energy: -1.590
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: 4
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -33.880383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.880383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.880383 (E_RNA)
where:
Base-Base interactions energy: -12.988
where: short stacking energy: -12.988
Base-Backbone interact. energy: -0.000
local terms energy: -20.892485
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -3.202
flat angles C4'-P-C4' energy: -6.230
flat angles P-C4'-P energy: -4.136
tors. eta vs tors. theta energy: -1.798
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: 3
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -47.618987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.618987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.618987 (E_RNA)
where:
Base-Base interactions energy: -17.880
where: short stacking energy: -17.880
Base-Backbone interact. energy: -0.006
local terms energy: -29.732693
where:
bonds (distance) C4'-P energy: -6.586
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -45.082792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.082792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.082792 (E_RNA)
where:
Base-Base interactions energy: -24.147
where: short stacking energy: -15.826
Base-Backbone interact. energy: -0.011
local terms energy: -20.925101
where:
bonds (distance) C4'-P energy: -4.661
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.400
flat angles P-C4'-P energy: -2.582
tors. eta vs tors. theta energy: -1.639
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: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -44.096229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.096229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.096229 (E_RNA)
where:
Base-Base interactions energy: -20.514
where: short stacking energy: -14.151
Base-Backbone interact. energy: -0.000
local terms energy: -23.582416
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.254
flat angles P-C4'-P energy: -2.733
tors. eta vs tors. theta energy: -2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -41.349109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.349109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.349109 (E_RNA)
where:
Base-Base interactions energy: -17.315
where: short stacking energy: -17.315
Base-Backbone interact. energy: -0.000
local terms energy: -24.033662
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.199
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: -3.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -46.089406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.089406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.089406 (E_RNA)
where:
Base-Base interactions energy: -24.462
where: short stacking energy: -13.310
Base-Backbone interact. energy: 0.715
local terms energy: -22.341840
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -4.735
flat angles P-C4'-P energy: -2.773
tors. eta vs tors. theta energy: -2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -41.841071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.841071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.841071 (E_RNA)
where:
Base-Base interactions energy: -15.711
where: short stacking energy: -15.711
Base-Backbone interact. energy: -0.001
local terms energy: -26.129177
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.148
flat angles P-C4'-P energy: -3.590
tors. eta vs tors. theta energy: -3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -38.745567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.745567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.745567 (E_RNA)
where:
Base-Base interactions energy: -21.113
where: short stacking energy: -21.113
Base-Backbone interact. energy: -0.003
local terms energy: -17.628949
where:
bonds (distance) C4'-P energy: -5.286
bonds (distance) P-C4' energy: -4.417
flat angles C4'-P-C4' energy: -0.794
flat angles P-C4'-P energy: -2.686
tors. eta vs tors. theta energy: -4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -43.515880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.515880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.515880 (E_RNA)
where:
Base-Base interactions energy: -17.414
where: short stacking energy: -17.414
Base-Backbone interact. energy: -0.000
local terms energy: -26.102016
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -6.166
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: -4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -41.758704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.758704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.758704 (E_RNA)
where:
Base-Base interactions energy: -19.332
where: short stacking energy: -19.332
Base-Backbone interact. energy: -0.000
local terms energy: -22.426581
where:
bonds (distance) C4'-P energy: -2.881
bonds (distance) P-C4' energy: -4.638
flat angles C4'-P-C4' energy: -5.395
flat angles P-C4'-P energy: -4.452
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: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -35.125742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.125742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.125742 (E_RNA)
where:
Base-Base interactions energy: -11.899
where: short stacking energy: -11.899
Base-Backbone interact. energy: -0.000
local terms energy: -23.226992
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -4.581
flat angles P-C4'-P energy: -4.622
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: 233
Temperature: 0.900000
Total energy: -47.340750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.340750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.340750 (E_RNA)
where:
Base-Base interactions energy: -21.255
where: short stacking energy: -19.202
Base-Backbone interact. energy: -0.002
local terms energy: -26.083419
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.899
flat angles P-C4'-P energy: -2.823
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: 2, replica: 6
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -53.179958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.179958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.179958 (E_RNA)
where:
Base-Base interactions energy: -22.711
where: short stacking energy: -22.711
Base-Backbone interact. energy: -0.000
local terms energy: -30.469227
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -6.220
flat angles P-C4'-P energy: -3.749
tors. eta vs tors. theta energy: -7.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -45.382355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.382355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.382355 (E_RNA)
where:
Base-Base interactions energy: -25.339
where: short stacking energy: -12.488
Base-Backbone interact. energy: -0.637
local terms energy: -19.406563
where:
bonds (distance) C4'-P energy: -4.177
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.670
flat angles P-C4'-P energy: -2.708
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: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -42.660473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.660473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.660473 (E_RNA)
where:
Base-Base interactions energy: -18.332
where: short stacking energy: -18.332
Base-Backbone interact. energy: -0.003
local terms energy: -24.325483
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.914
flat angles C4'-P-C4' energy: -5.194
flat angles P-C4'-P energy: -3.331
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -45.370505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.370505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.370505 (E_RNA)
where:
Base-Base interactions energy: -19.693
where: short stacking energy: -19.693
Base-Backbone interact. energy: -0.000
local terms energy: -25.677793
where:
bonds (distance) C4'-P energy: -3.866
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -5.129
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -39.776265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.776265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.776265 (E_RNA)
where:
Base-Base interactions energy: -15.482
where: short stacking energy: -15.482
Base-Backbone interact. energy: -0.000
local terms energy: -24.294445
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -5.144
flat angles P-C4'-P energy: -3.936
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -34.050448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.050448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.050448 (E_RNA)
where:
Base-Base interactions energy: -14.962
where: short stacking energy: -9.603
Base-Backbone interact. energy: -0.147
local terms energy: -18.941885
where:
bonds (distance) C4'-P energy: -4.980
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -3.529
flat angles P-C4'-P energy: -1.430
tors. eta vs tors. theta energy: -2.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -40.071908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.071908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.071908 (E_RNA)
where:
Base-Base interactions energy: -15.065
where: short stacking energy: -15.065
Base-Backbone interact. energy: -0.000
local terms energy: -25.006716
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -6.233
flat angles P-C4'-P energy: -3.002
tors. eta vs tors. theta energy: -3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -34.503190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.503190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.503190 (E_RNA)
where:
Base-Base interactions energy: -12.693
where: short stacking energy: -12.693
Base-Backbone interact. energy: -0.002
local terms energy: -21.807985
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -4.864
flat angles C4'-P-C4' energy: -4.356
flat angles P-C4'-P energy: -2.471
tors. eta vs tors. theta energy: -4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -38.744399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.744399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.744399 (E_RNA)
where:
Base-Base interactions energy: -18.980
where: short stacking energy: -18.980
Base-Backbone interact. energy: -0.006
local terms energy: -19.758599
where:
bonds (distance) C4'-P energy: -3.244
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -5.606
flat angles P-C4'-P energy: -1.777
tors. eta vs tors. theta energy: -4.240
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: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -46.511705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.511705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.511705 (E_RNA)
where:
Base-Base interactions energy: -21.246
where: short stacking energy: -21.246
Base-Backbone interact. energy: -0.001
local terms energy: -25.264825
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -4.929
flat angles P-C4'-P energy: -4.389
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -52.063682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.063682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.063682 (E_RNA)
where:
Base-Base interactions energy: -25.522
where: short stacking energy: -25.522
Base-Backbone interact. energy: -0.000
local terms energy: -26.541562
where:
bonds (distance) C4'-P energy: -4.035
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -6.137
flat angles P-C4'-P energy: -4.205
tors. eta vs tors. theta energy: -5.754
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: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -39.972637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.972637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.972637 (E_RNA)
where:
Base-Base interactions energy: -14.888
where: short stacking energy: -14.888
Base-Backbone interact. energy: -0.008
local terms energy: -25.077146
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -5.959
flat angles P-C4'-P energy: -4.232
tors. eta vs tors. theta energy: -4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -51.695222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.695222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.695222 (E_RNA)
where:
Base-Base interactions energy: -28.015
where: short stacking energy: -16.100
Base-Backbone interact. energy: -0.002
local terms energy: -23.678340
where:
bonds (distance) C4'-P energy: -6.160
bonds (distance) P-C4' energy: -6.118
flat angles C4'-P-C4' energy: -5.759
flat angles P-C4'-P energy: -3.535
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -42.241356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.241356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.241356 (E_RNA)
where:
Base-Base interactions energy: -20.254
where: short stacking energy: -7.573
Base-Backbone interact. energy: -0.077
local terms energy: -21.909714
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -5.541
flat angles C4'-P-C4' energy: -5.615
flat angles P-C4'-P energy: -3.355
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: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -38.219397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.219397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.219397 (E_RNA)
where:
Base-Base interactions energy: -14.124
where: short stacking energy: -14.124
Base-Backbone interact. energy: -0.000
local terms energy: -24.095404
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -4.518
flat angles P-C4'-P energy: -5.136
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: 7, replica: 10
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -31.576243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.576243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.576243 (E_RNA)
where:
Base-Base interactions energy: -9.647
where: short stacking energy: -9.647
Base-Backbone interact. energy: -0.000
local terms energy: -21.929188
where:
bonds (distance) C4'-P energy: -5.982
bonds (distance) P-C4' energy: -4.199
flat angles C4'-P-C4' energy: -6.131
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -0.644
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: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -31.168930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.168930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.168930 (E_RNA)
where:
Base-Base interactions energy: -12.813
where: short stacking energy: -12.813
Base-Backbone interact. energy: -0.015
local terms energy: -18.340320
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -5.970
flat angles C4'-P-C4' energy: -2.929
flat angles P-C4'-P energy: -2.707
tors. eta vs tors. theta energy: -0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -31.164141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.164141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.164141 (E_RNA)
where:
Base-Base interactions energy: -10.692
where: short stacking energy: -10.692
Base-Backbone interact. energy: -0.006
local terms energy: -20.465579
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -5.717
flat angles P-C4'-P energy: -3.636
tors. eta vs tors. theta energy: 1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -30.267419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.267419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.267419 (E_RNA)
where:
Base-Base interactions energy: -7.613
where: short stacking energy: -7.613
Base-Backbone interact. energy: -0.080
local terms energy: -22.574818
where:
bonds (distance) C4'-P energy: -3.920
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.343
flat angles P-C4'-P energy: -3.733
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -47.104730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.104730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.104730 (E_RNA)
where:
Base-Base interactions energy: -21.586
where: short stacking energy: -21.586
Base-Backbone interact. energy: -0.002
local terms energy: -25.517078
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.900
flat angles P-C4'-P energy: -3.840
tors. eta vs tors. theta energy: -4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -40.923422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.923422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.923422 (E_RNA)
where:
Base-Base interactions energy: -16.915
where: short stacking energy: -16.915
Base-Backbone interact. energy: -0.023
local terms energy: -23.985883
where:
bonds (distance) C4'-P energy: -4.375
bonds (distance) P-C4' energy: -6.653
flat angles C4'-P-C4' energy: -5.833
flat angles P-C4'-P energy: -3.618
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: 3, replica: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -47.358850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.358850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.358850 (E_RNA)
where:
Base-Base interactions energy: -22.162
where: short stacking energy: -22.162
Base-Backbone interact. energy: -0.000
local terms energy: -25.197047
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -4.944
flat angles C4'-P-C4' energy: -5.175
flat angles P-C4'-P energy: -2.848
tors. eta vs tors. theta energy: -6.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -40.692667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.692667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.692667 (E_RNA)
where:
Base-Base interactions energy: -14.061
where: short stacking energy: -14.061
Base-Backbone interact. energy: -0.030
local terms energy: -26.601743
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.955
flat angles P-C4'-P energy: -2.886
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: 5, replica: 9
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -39.159589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.159589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.159589 (E_RNA)
where:
Base-Base interactions energy: -17.055
where: short stacking energy: -17.055
Base-Backbone interact. energy: -0.001
local terms energy: -22.103498
where:
bonds (distance) C4'-P energy: -5.117
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -5.351
flat angles P-C4'-P energy: -3.266
tors. eta vs tors. theta energy: -2.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -38.193632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.193632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.193632 (E_RNA)
where:
Base-Base interactions energy: -15.309
where: short stacking energy: -12.731
Base-Backbone interact. energy: -0.000
local terms energy: -22.884525
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -4.777
flat angles P-C4'-P energy: -2.959
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: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -41.287998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.287998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.287998 (E_RNA)
where:
Base-Base interactions energy: -17.395
where: short stacking energy: -17.395
Base-Backbone interact. energy: -0.006
local terms energy: -23.887085
where:
bonds (distance) C4'-P energy: -4.097
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.198
flat angles P-C4'-P energy: -3.426
tors. eta vs tors. theta energy: -4.716
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: 7
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -39.181429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.181429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.181429 (E_RNA)
where:
Base-Base interactions energy: -13.330
where: short stacking energy: -13.330
Base-Backbone interact. energy: -0.001
local terms energy: -25.850965
where:
bonds (distance) C4'-P energy: -5.315
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -6.449
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: -3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -35.015328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.015328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.015328 (E_RNA)
where:
Base-Base interactions energy: -11.691
where: short stacking energy: -11.691
Base-Backbone interact. energy: -0.064
local terms energy: -23.259505
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -3.861
flat angles P-C4'-P energy: -4.165
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: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -30.064451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.064451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.064451 (E_RNA)
where:
Base-Base interactions energy: -10.581
where: short stacking energy: -10.581
Base-Backbone interact. energy: -0.050
local terms energy: -19.433085
where:
bonds (distance) C4'-P energy: -3.759
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -4.112
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -45.126859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.126859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.126859 (E_RNA)
where:
Base-Base interactions energy: -22.089
where: short stacking energy: -13.209
Base-Backbone interact. energy: -0.000
local terms energy: -23.037355
where:
bonds (distance) C4'-P energy: -5.688
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -5.429
flat angles P-C4'-P energy: -2.555
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -44.032453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.032453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.032453 (E_RNA)
where:
Base-Base interactions energy: -24.143
where: short stacking energy: -13.400
Base-Backbone interact. energy: -0.002
local terms energy: -19.887217
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.104
flat angles P-C4'-P energy: -1.672
tors. eta vs tors. theta energy: -0.870
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: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -50.863138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.863138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.863138 (E_RNA)
where:
Base-Base interactions energy: -24.093
where: short stacking energy: -24.093
Base-Backbone interact. energy: -0.000
local terms energy: -26.770218
where:
bonds (distance) C4'-P energy: -3.523
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.573
flat angles P-C4'-P energy: -4.779
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -44.480487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.480487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.480487 (E_RNA)
where:
Base-Base interactions energy: -21.295
where: short stacking energy: -21.295
Base-Backbone interact. energy: -0.083
local terms energy: -23.101839
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -4.272
flat angles P-C4'-P energy: -3.060
tors. eta vs tors. theta energy: -3.752
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: 10
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -41.199343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.199343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.199343 (E_RNA)
where:
Base-Base interactions energy: -17.225
where: short stacking energy: -17.225
Base-Backbone interact. energy: -0.000
local terms energy: -23.973682
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -5.600
flat angles P-C4'-P energy: -4.104
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -31.711220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.711220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.711220 (E_RNA)
where:
Base-Base interactions energy: -9.744
where: short stacking energy: -9.744
Base-Backbone interact. energy: -0.000
local terms energy: -21.967205
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -3.578
flat angles C4'-P-C4' energy: -6.159
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: -1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -33.891340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.891340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.891340 (E_RNA)
where:
Base-Base interactions energy: -15.935
where: short stacking energy: -15.935
Base-Backbone interact. energy: 0.608
local terms energy: -18.564120
where:
bonds (distance) C4'-P energy: -2.632
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -3.282
flat angles P-C4'-P energy: -3.173
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: 8, replica: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -34.221021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.221021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.221021 (E_RNA)
where:
Base-Base interactions energy: -12.795
where: short stacking energy: -12.795
Base-Backbone interact. energy: -0.010
local terms energy: -21.415638
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -5.922
flat angles P-C4'-P energy: -3.390
tors. eta vs tors. theta energy: -1.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -34.213174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.213174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.213174 (E_RNA)
where:
Base-Base interactions energy: -11.817
where: short stacking energy: -11.817
Base-Backbone interact. energy: -0.005
local terms energy: -22.390479
where:
bonds (distance) C4'-P energy: -5.891
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -6.113
flat angles P-C4'-P energy: -1.644
tors. eta vs tors. theta energy: -3.628
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: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -33.077993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.077993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.077993 (E_RNA)
where:
Base-Base interactions energy: -15.977
where: short stacking energy: -15.977
Base-Backbone interact. energy: -0.000
local terms energy: -17.101122
where:
bonds (distance) C4'-P energy: -1.667
bonds (distance) P-C4' energy: -3.840
flat angles C4'-P-C4' energy: -5.650
flat angles P-C4'-P energy: -1.316
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -44.673078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.673078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.673078 (E_RNA)
where:
Base-Base interactions energy: -22.941
where: short stacking energy: -8.115
Base-Backbone interact. energy: -0.105
local terms energy: -21.627134
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -5.101
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: -1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -45.291942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.291942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.291942 (E_RNA)
where:
Base-Base interactions energy: -24.217
where: short stacking energy: -8.977
Base-Backbone interact. energy: -0.000
local terms energy: -21.075056
where:
bonds (distance) C4'-P energy: -5.004
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.116
flat angles P-C4'-P energy: -3.540
tors. eta vs tors. theta energy: -0.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -39.467892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.467892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.467892 (E_RNA)
where:
Base-Base interactions energy: -17.796
where: short stacking energy: -17.796
Base-Backbone interact. energy: -0.073
local terms energy: -21.598440
where:
bonds (distance) C4'-P energy: -4.214
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.215
flat angles P-C4'-P energy: -3.972
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -38.631390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.631390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.631390 (E_RNA)
where:
Base-Base interactions energy: -15.200
where: short stacking energy: -15.200
Base-Backbone interact. energy: -0.001
local terms energy: -23.430843
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -4.943
flat angles P-C4'-P energy: -2.653
tors. eta vs tors. theta energy: -3.347
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: 237
Temperature: 1.100000
Total energy: -49.815392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.815392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.815392 (E_RNA)
where:
Base-Base interactions energy: -27.401
where: short stacking energy: -13.479
Base-Backbone interact. energy: -0.101
local terms energy: -22.313731
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -6.010
flat angles P-C4'-P energy: -4.916
tors. eta vs tors. theta energy: -0.383
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: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -35.639419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.639419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.639419 (E_RNA)
where:
Base-Base interactions energy: -13.961
where: short stacking energy: -13.961
Base-Backbone interact. energy: -0.000
local terms energy: -21.678747
where:
bonds (distance) C4'-P energy: -6.060
bonds (distance) P-C4' energy: -2.115
flat angles C4'-P-C4' energy: -6.169
flat angles P-C4'-P energy: -4.214
tors. eta vs tors. theta energy: -3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -36.671140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.671140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.671140 (E_RNA)
where:
Base-Base interactions energy: -16.133
where: short stacking energy: -16.133
Base-Backbone interact. energy: -0.000
local terms energy: -20.538319
where:
bonds (distance) C4'-P energy: -3.572
bonds (distance) P-C4' energy: -4.727
flat angles C4'-P-C4' energy: -3.654
flat angles P-C4'-P energy: -2.793
tors. eta vs tors. theta energy: -5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -36.564499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.564499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.564499 (E_RNA)
where:
Base-Base interactions energy: -10.770
where: short stacking energy: -10.770
Base-Backbone interact. energy: -0.002
local terms energy: -25.792107
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -4.274
flat angles P-C4'-P energy: -5.232
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: 9, replica: 5
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -37.484165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.484165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.484165 (E_RNA)
where:
Base-Base interactions energy: -15.409
where: short stacking energy: -15.409
Base-Backbone interact. energy: -0.035
local terms energy: -22.039939
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -2.485
flat angles P-C4'-P energy: -2.763
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -33.370416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.370416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.370416 (E_RNA)
where:
Base-Base interactions energy: -12.708
where: short stacking energy: -12.708
Base-Backbone interact. energy: -0.001
local terms energy: -20.661750
where:
bonds (distance) C4'-P energy: -4.983
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -5.120
flat angles P-C4'-P energy: -2.479
tors. eta vs tors. theta energy: -2.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -45.895728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.895728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.895728 (E_RNA)
where:
Base-Base interactions energy: -19.588
where: short stacking energy: -19.588
Base-Backbone interact. energy: -0.000
local terms energy: -26.307177
where:
bonds (distance) C4'-P energy: -4.206
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.822
flat angles P-C4'-P energy: -4.604
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -47.764341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.764341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.764341 (E_RNA)
where:
Base-Base interactions energy: -20.621
where: short stacking energy: -20.621
Base-Backbone interact. energy: -0.000
local terms energy: -27.142972
where:
bonds (distance) C4'-P energy: -5.216
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.713
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -41.783395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.783395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.783395 (E_RNA)
where:
Base-Base interactions energy: -18.353
where: short stacking energy: -18.353
Base-Backbone interact. energy: -0.000
local terms energy: -23.430173
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.817
flat angles P-C4'-P energy: -2.604
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: 4, replica: 6
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -37.102991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.102991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.102991 (E_RNA)
where:
Base-Base interactions energy: -15.575
where: short stacking energy: -15.575
Base-Backbone interact. energy: -0.008
local terms energy: -21.519334
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.697
flat angles P-C4'-P energy: -3.448
tors. eta vs tors. theta energy: -0.765
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: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -43.542326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.542326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.542326 (E_RNA)
where:
Base-Base interactions energy: -18.269
where: short stacking energy: -18.269
Base-Backbone interact. energy: -0.000
local terms energy: -25.273235
where:
bonds (distance) C4'-P energy: -5.427
bonds (distance) P-C4' energy: -5.674
flat angles C4'-P-C4' energy: -6.357
flat angles P-C4'-P energy: -3.909
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: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -36.652723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.652723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.652723 (E_RNA)
where:
Base-Base interactions energy: -16.500
where: short stacking energy: -7.612
Base-Backbone interact. energy: -0.001
local terms energy: -20.151517
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -5.278
flat angles P-C4'-P energy: -1.833
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: 7, replica: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -35.332127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.332127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.332127 (E_RNA)
where:
Base-Base interactions energy: -14.261
where: short stacking energy: -14.261
Base-Backbone interact. energy: -0.041
local terms energy: -21.030573
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.999
flat angles P-C4'-P energy: -0.181
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -34.276573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.276573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.276573 (E_RNA)
where:
Base-Base interactions energy: -13.123
where: short stacking energy: -13.123
Base-Backbone interact. energy: -0.022
local terms energy: -21.131673
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.603
flat angles P-C4'-P energy: -2.907
tors. eta vs tors. theta energy: -1.039
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: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -40.626804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.626804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.626804 (E_RNA)
where:
Base-Base interactions energy: -16.835
where: short stacking energy: -16.835
Base-Backbone interact. energy: -0.002
local terms energy: -23.790099
where:
bonds (distance) C4'-P energy: -5.287
bonds (distance) P-C4' energy: -5.089
flat angles C4'-P-C4' energy: -5.706
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -27.320694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.320694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.320694 (E_RNA)
where:
Base-Base interactions energy: -9.429
where: short stacking energy: -9.429
Base-Backbone interact. energy: -0.061
local terms energy: -17.830052
where:
bonds (distance) C4'-P energy: -4.731
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.445
flat angles P-C4'-P energy: -4.215
tors. eta vs tors. theta energy: 2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -52.562370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.562370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.562370 (E_RNA)
where:
Base-Base interactions energy: -29.232
where: short stacking energy: -15.173
Base-Backbone interact. energy: -0.006
local terms energy: -23.324218
where:
bonds (distance) C4'-P energy: -5.724
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -6.217
flat angles P-C4'-P energy: -3.257
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: 2, replica: 10
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -44.286509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.286509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.286509 (E_RNA)
where:
Base-Base interactions energy: -21.770
where: short stacking energy: -14.314
Base-Backbone interact. energy: -0.000
local terms energy: -22.516184
where:
bonds (distance) C4'-P energy: -3.630
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -6.064
flat angles P-C4'-P energy: -2.936
tors. eta vs tors. theta energy: -3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -51.980610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.980610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.980610 (E_RNA)
where:
Base-Base interactions energy: -23.612
where: short stacking energy: -23.612
Base-Backbone interact. energy: -0.000
local terms energy: -28.368884
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.586
flat angles P-C4'-P energy: -3.917
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: 4, replica: 1
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -39.270373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.270373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.270373 (E_RNA)
where:
Base-Base interactions energy: -20.167
where: short stacking energy: -12.310
Base-Backbone interact. energy: -0.776
local terms energy: -18.327404
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -0.378
flat angles P-C4'-P energy: -3.662
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: 5, replica: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -42.371424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.371424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.371424 (E_RNA)
where:
Base-Base interactions energy: -16.396
where: short stacking energy: -14.639
Base-Backbone interact. energy: -0.000
local terms energy: -25.975330
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -5.115
flat angles P-C4'-P energy: -4.483
tors. eta vs tors. theta energy: -4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -44.807379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.807379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.807379 (E_RNA)
where:
Base-Base interactions energy: -18.539
where: short stacking energy: -18.539
Base-Backbone interact. energy: -0.000
local terms energy: -26.267860
where:
bonds (distance) C4'-P energy: -4.525
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -6.009
flat angles P-C4'-P energy: -2.535
tors. eta vs tors. theta energy: -7.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -32.504639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.504639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.504639 (E_RNA)
where:
Base-Base interactions energy: -11.524
where: short stacking energy: -11.524
Base-Backbone interact. energy: 0.108
local terms energy: -21.087753
where:
bonds (distance) C4'-P energy: -3.555
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.128
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -32.472715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.472715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.472715 (E_RNA)
where:
Base-Base interactions energy: -12.647
where: short stacking energy: -12.647
Base-Backbone interact. energy: -0.000
local terms energy: -19.825554
where:
bonds (distance) C4'-P energy: -5.287
bonds (distance) P-C4' energy: -6.156
flat angles C4'-P-C4' energy: -3.735
flat angles P-C4'-P energy: -4.169
tors. eta vs tors. theta energy: -0.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -34.767558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.767558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.767558 (E_RNA)
where:
Base-Base interactions energy: -12.176
where: short stacking energy: -12.176
Base-Backbone interact. energy: -0.000
local terms energy: -22.591409
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -4.111
flat angles P-C4'-P energy: -1.777
tors. eta vs tors. theta energy: -4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -28.623313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.623313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.623313 (E_RNA)
where:
Base-Base interactions energy: -8.769
where: short stacking energy: -8.769
Base-Backbone interact. energy: -0.014
local terms energy: -19.840500
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -3.115
flat angles P-C4'-P energy: -4.877
tors. eta vs tors. theta energy: 0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -49.912881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.912881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.912881 (E_RNA)
where:
Base-Base interactions energy: -22.920
where: short stacking energy: -22.920
Base-Backbone interact. energy: -0.000
local terms energy: -26.992661
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -4.719
flat angles P-C4'-P energy: -4.064
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -48.792100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.792100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.792100 (E_RNA)
where:
Base-Base interactions energy: -25.326
where: short stacking energy: -19.179
Base-Backbone interact. energy: -0.001
local terms energy: -23.465989
where:
bonds (distance) C4'-P energy: -5.207
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -6.240
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -52.299725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.299725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.299725 (E_RNA)
where:
Base-Base interactions energy: -23.723
where: short stacking energy: -23.723
Base-Backbone interact. energy: -0.000
local terms energy: -28.576804
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.134
flat angles P-C4'-P energy: -4.517
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -44.364944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.364944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.364944 (E_RNA)
where:
Base-Base interactions energy: -19.484
where: short stacking energy: -19.484
Base-Backbone interact. energy: -0.091
local terms energy: -24.789556
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -4.877
flat angles C4'-P-C4' energy: -5.696
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -40.267053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.267053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.267053 (E_RNA)
where:
Base-Base interactions energy: -14.843
where: short stacking energy: -14.843
Base-Backbone interact. energy: -0.000
local terms energy: -25.424026
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -6.351
flat angles C4'-P-C4' energy: -5.306
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -2.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -45.366928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.366928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.366928 (E_RNA)
where:
Base-Base interactions energy: -24.234
where: short stacking energy: -19.265
Base-Backbone interact. energy: -0.008
local terms energy: -21.124330
where:
bonds (distance) C4'-P energy: -2.260
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.603
flat angles P-C4'-P energy: -2.751
tors. eta vs tors. theta energy: -3.870
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: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -42.006762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.006762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.006762 (E_RNA)
where:
Base-Base interactions energy: -21.625
where: short stacking energy: -13.165
Base-Backbone interact. energy: -1.253
local terms energy: -19.128184
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -3.376
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: -0.708
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: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -38.009846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.009846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.009846 (E_RNA)
where:
Base-Base interactions energy: -15.688
where: short stacking energy: -15.688
Base-Backbone interact. energy: -0.000
local terms energy: -22.321576
where:
bonds (distance) C4'-P energy: -2.852
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -6.602
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -35.715396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.715396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.715396 (E_RNA)
where:
Base-Base interactions energy: -13.676
where: short stacking energy: -13.676
Base-Backbone interact. energy: -0.000
local terms energy: -22.039701
where:
bonds (distance) C4'-P energy: -3.816
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.629
flat angles P-C4'-P energy: -4.029
tors. eta vs tors. theta energy: -2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -31.715521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.715521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.715521 (E_RNA)
where:
Base-Base interactions energy: -12.754
where: short stacking energy: -12.754
Base-Backbone interact. energy: -0.069
local terms energy: -18.892130
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -6.745
flat angles P-C4'-P energy: -2.438
tors. eta vs tors. theta energy: 2.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -55.120083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.120083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.120083 (E_RNA)
where:
Base-Base interactions energy: -27.660
where: short stacking energy: -18.573
Base-Backbone interact. energy: -1.547
local terms energy: -25.912756
where:
bonds (distance) C4'-P energy: -4.987
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.632
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -47.626613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.626613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.626613 (E_RNA)
where:
Base-Base interactions energy: -20.019
where: short stacking energy: -20.019
Base-Backbone interact. energy: -0.000
local terms energy: -27.606769
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -5.758
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: -5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -47.596546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.596546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.596546 (E_RNA)
where:
Base-Base interactions energy: -25.779
where: short stacking energy: -19.076
Base-Backbone interact. energy: -0.001
local terms energy: -21.817384
where:
bonds (distance) C4'-P energy: -5.153
bonds (distance) P-C4' energy: -6.125
flat angles C4'-P-C4' energy: -5.470
flat angles P-C4'-P energy: -2.675
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -38.274061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.274061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.274061 (E_RNA)
where:
Base-Base interactions energy: -22.461
where: short stacking energy: -8.690
Base-Backbone interact. energy: -0.062
local terms energy: -15.750641
where:
bonds (distance) C4'-P energy: -3.328
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.793
flat angles P-C4'-P energy: -2.958
tors. eta vs tors. theta energy: 0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -38.795039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.795039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.795039 (E_RNA)
where:
Base-Base interactions energy: -14.714
where: short stacking energy: -14.714
Base-Backbone interact. energy: -0.000
local terms energy: -24.080867
where:
bonds (distance) C4'-P energy: -5.982
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.328
flat angles P-C4'-P energy: -2.779
tors. eta vs tors. theta energy: -3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -36.989313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.989313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.989313 (E_RNA)
where:
Base-Base interactions energy: -14.014
where: short stacking energy: -14.014
Base-Backbone interact. energy: -0.000
local terms energy: -22.974445
where:
bonds (distance) C4'-P energy: -4.214
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.979
flat angles P-C4'-P energy: -2.033
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: 7, replica: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -42.265199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.265199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.265199 (E_RNA)
where:
Base-Base interactions energy: -18.265
where: short stacking energy: -18.265
Base-Backbone interact. energy: -0.004
local terms energy: -23.996791
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -4.910
flat angles C4'-P-C4' energy: -5.743
flat angles P-C4'-P energy: -4.700
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: 8, replica: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -36.059085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.059085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.059085 (E_RNA)
where:
Base-Base interactions energy: -15.441
where: short stacking energy: -15.441
Base-Backbone interact. energy: -0.001
local terms energy: -20.617136
where:
bonds (distance) C4'-P energy: -2.740
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -5.596
flat angles P-C4'-P energy: -1.796
tors. eta vs tors. theta energy: -3.341
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: 241
Temperature: 1.300000
Total energy: -36.777296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.777296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.777296 (E_RNA)
where:
Base-Base interactions energy: -14.154
where: short stacking energy: -14.154
Base-Backbone interact. energy: -0.000
local terms energy: -22.623564
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -6.701
flat angles P-C4'-P energy: -3.483
tors. eta vs tors. theta energy: -2.288
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: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -34.337242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.337242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.337242 (E_RNA)
where:
Base-Base interactions energy: -14.561
where: short stacking energy: -13.537
Base-Backbone interact. energy: -0.099
local terms energy: -19.677865
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -5.288
flat angles P-C4'-P energy: -1.113
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: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -47.367635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.367635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.367635 (E_RNA)
where:
Base-Base interactions energy: -25.255
where: short stacking energy: -17.105
Base-Backbone interact. energy: -0.087
local terms energy: -22.025514
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -3.843
flat angles C4'-P-C4' energy: -6.376
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -50.720524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.720524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.720524 (E_RNA)
where:
Base-Base interactions energy: -25.277
where: short stacking energy: -16.321
Base-Backbone interact. energy: -0.003
local terms energy: -25.440976
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.755
flat angles P-C4'-P energy: -4.048
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -48.610217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.610217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.610217 (E_RNA)
where:
Base-Base interactions energy: -24.118
where: short stacking energy: -13.849
Base-Backbone interact. energy: -1.140
local terms energy: -23.351657
where:
bonds (distance) C4'-P energy: -4.789
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -5.253
flat angles P-C4'-P energy: -4.070
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -40.723751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.723751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.723751 (E_RNA)
where:
Base-Base interactions energy: -15.056
where: short stacking energy: -15.056
Base-Backbone interact. energy: -0.000
local terms energy: -25.668151
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -5.568
flat angles P-C4'-P energy: -2.946
tors. eta vs tors. theta energy: -5.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -39.777500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.777500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.777500 (E_RNA)
where:
Base-Base interactions energy: -16.414
where: short stacking energy: -16.414
Base-Backbone interact. energy: -0.003
local terms energy: -23.360294
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -4.297
flat angles C4'-P-C4' energy: -6.120
flat angles P-C4'-P energy: -4.238
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: 6, replica: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -40.007418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.007418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.007418 (E_RNA)
where:
Base-Base interactions energy: -17.996
where: short stacking energy: -13.788
Base-Backbone interact. energy: -0.000
local terms energy: -22.011561
where:
bonds (distance) C4'-P energy: -6.329
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -5.131
flat angles P-C4'-P energy: -3.369
tors. eta vs tors. theta energy: -1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -39.091862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.091862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.091862 (E_RNA)
where:
Base-Base interactions energy: -16.232
where: short stacking energy: -16.232
Base-Backbone interact. energy: -0.000
local terms energy: -22.859751
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -5.833
flat angles C4'-P-C4' energy: -4.315
flat angles P-C4'-P energy: -4.067
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: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -39.370265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.370265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.370265 (E_RNA)
where:
Base-Base interactions energy: -14.561
where: short stacking energy: -11.139
Base-Backbone interact. energy: -0.003
local terms energy: -24.805826
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -6.059
flat angles P-C4'-P energy: -3.370
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -32.496246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.496246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.496246 (E_RNA)
where:
Base-Base interactions energy: -15.813
where: short stacking energy: -6.078
Base-Backbone interact. energy: -0.238
local terms energy: -16.445163
where:
bonds (distance) C4'-P energy: -4.462
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -4.043
flat angles P-C4'-P energy: -5.032
tors. eta vs tors. theta energy: 1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -39.665817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.665817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.665817 (E_RNA)
where:
Base-Base interactions energy: -13.542
where: short stacking energy: -13.542
Base-Backbone interact. energy: -0.000
local terms energy: -26.123390
where:
bonds (distance) C4'-P energy: -4.090
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -5.446
flat angles P-C4'-P energy: -3.577
tors. eta vs tors. theta energy: -6.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -54.515766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.515766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.515766 (E_RNA)
where:
Base-Base interactions energy: -30.820
where: short stacking energy: -19.641
Base-Backbone interact. energy: -0.004
local terms energy: -23.692504
where:
bonds (distance) C4'-P energy: -5.277
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -5.578
flat angles P-C4'-P energy: -2.130
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: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -49.085671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.085671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.085671 (E_RNA)
where:
Base-Base interactions energy: -26.096
where: short stacking energy: -16.195
Base-Backbone interact. energy: -0.000
local terms energy: -22.989266
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.812
flat angles P-C4'-P energy: 0.569
tors. eta vs tors. theta energy: -5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -43.159810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.159810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.159810 (E_RNA)
where:
Base-Base interactions energy: -21.557
where: short stacking energy: -18.659
Base-Backbone interact. energy: -0.001
local terms energy: -21.602265
where:
bonds (distance) C4'-P energy: -3.079
bonds (distance) P-C4' energy: -5.184
flat angles C4'-P-C4' energy: -4.435
flat angles P-C4'-P energy: -3.639
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -41.146937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.146937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.146937 (E_RNA)
where:
Base-Base interactions energy: -17.760
where: short stacking energy: -17.760
Base-Backbone interact. energy: -0.002
local terms energy: -23.385379
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -5.889
flat angles C4'-P-C4' energy: -5.111
flat angles P-C4'-P energy: -4.041
tors. eta vs tors. theta energy: -2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -43.498117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.498117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.498117 (E_RNA)
where:
Base-Base interactions energy: -24.170
where: short stacking energy: -14.252
Base-Backbone interact. energy: -0.038
local terms energy: -19.289710
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -5.103
flat angles C4'-P-C4' energy: -5.036
flat angles P-C4'-P energy: -4.281
tors. eta vs tors. theta energy: 0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -30.137935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.137935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.137935 (E_RNA)
where:
Base-Base interactions energy: -9.312
where: short stacking energy: -9.312
Base-Backbone interact. energy: -0.013
local terms energy: -20.812735
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -5.118
flat angles P-C4'-P energy: -1.659
tors. eta vs tors. theta energy: -1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -34.457867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.457867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.457867 (E_RNA)
where:
Base-Base interactions energy: -12.311
where: short stacking energy: -12.311
Base-Backbone interact. energy: -0.001
local terms energy: -22.146313
where:
bonds (distance) C4'-P energy: -4.098
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -6.227
flat angles P-C4'-P energy: -3.304
tors. eta vs tors. theta energy: -2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -32.484555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.484555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.484555 (E_RNA)
where:
Base-Base interactions energy: -8.896
where: short stacking energy: -8.896
Base-Backbone interact. energy: -0.023
local terms energy: -23.565416
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -6.112
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: 0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -32.229039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.229039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.229039 (E_RNA)
where:
Base-Base interactions energy: -10.662
where: short stacking energy: -10.662
Base-Backbone interact. energy: -0.005
local terms energy: -21.562005
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -4.376
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -0.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -30.665785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.665785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.665785 (E_RNA)
where:
Base-Base interactions energy: -9.519
where: short stacking energy: -9.519
Base-Backbone interact. energy: -0.000
local terms energy: -21.146282
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -4.495
flat angles P-C4'-P energy: -3.749
tors. eta vs tors. theta energy: -1.085
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: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -48.452362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.452362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.452362 (E_RNA)
where:
Base-Base interactions energy: -21.750
where: short stacking energy: -21.750
Base-Backbone interact. energy: -0.000
local terms energy: -26.702273
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -5.373
flat angles P-C4'-P energy: -4.973
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: 2, replica: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -47.274144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.274144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.274144 (E_RNA)
where:
Base-Base interactions energy: -21.861
where: short stacking energy: -21.861
Base-Backbone interact. energy: -0.000
local terms energy: -25.413625
where:
bonds (distance) C4'-P energy: -6.254
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.768
flat angles P-C4'-P energy: -3.112
tors. eta vs tors. theta energy: -4.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -43.118428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.118428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.118428 (E_RNA)
where:
Base-Base interactions energy: -16.524
where: short stacking energy: -16.524
Base-Backbone interact. energy: -0.000
local terms energy: -26.594862
where:
bonds (distance) C4'-P energy: -5.153
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -4.719
flat angles P-C4'-P energy: -5.010
tors. eta vs tors. theta energy: -5.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -39.258447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.258447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.258447 (E_RNA)
where:
Base-Base interactions energy: -15.563
where: short stacking energy: -13.520
Base-Backbone interact. energy: -0.073
local terms energy: -23.623057
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -6.361
flat angles C4'-P-C4' energy: -4.014
flat angles P-C4'-P energy: -4.124
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -53.585585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.585585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.585585 (E_RNA)
where:
Base-Base interactions energy: -25.335
where: short stacking energy: -25.335
Base-Backbone interact. energy: -0.000
local terms energy: -28.250493
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.252
flat angles P-C4'-P energy: -4.047
tors. eta vs tors. theta energy: -5.310
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: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -37.238656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.238656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.238656 (E_RNA)
where:
Base-Base interactions energy: -15.409
where: short stacking energy: -15.409
Base-Backbone interact. energy: -0.000
local terms energy: -21.830119
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -3.317
flat angles C4'-P-C4' energy: -6.628
flat angles P-C4'-P energy: -3.571
tors. eta vs tors. theta energy: -3.409
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: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -36.243989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.243989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.243989 (E_RNA)
where:
Base-Base interactions energy: -16.586
where: short stacking energy: -16.586
Base-Backbone interact. energy: -0.000
local terms energy: -19.657530
where:
bonds (distance) C4'-P energy: -2.835
bonds (distance) P-C4' energy: -5.895
flat angles C4'-P-C4' energy: -4.525
flat angles P-C4'-P energy: -3.464
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -35.520032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.520032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.520032 (E_RNA)
where:
Base-Base interactions energy: -13.698
where: short stacking energy: -13.698
Base-Backbone interact. energy: -0.000
local terms energy: -21.821804
where:
bonds (distance) C4'-P energy: -4.044
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -5.181
flat angles P-C4'-P energy: -2.692
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: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -36.953952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.953952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.953952 (E_RNA)
where:
Base-Base interactions energy: -13.383
where: short stacking energy: -13.383
Base-Backbone interact. energy: -0.000
local terms energy: -23.571025
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.261
flat angles P-C4'-P energy: -3.206
tors. eta vs tors. theta energy: -3.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -35.997894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.997894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.997894 (E_RNA)
where:
Base-Base interactions energy: -10.827
where: short stacking energy: -10.827
Base-Backbone interact. energy: -0.000
local terms energy: -25.170919
where:
bonds (distance) C4'-P energy: -5.220
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -5.588
flat angles P-C4'-P energy: -3.407
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -57.541716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.541716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.541716 (E_RNA)
where:
Base-Base interactions energy: -31.129
where: short stacking energy: -16.334
Base-Backbone interact. energy: -0.081
local terms energy: -26.332343
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.156
flat angles C4'-P-C4' energy: -6.465
flat angles P-C4'-P energy: -2.599
tors. eta vs tors. theta energy: -5.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -50.423428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.423428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.423428 (E_RNA)
where:
Base-Base interactions energy: -20.533
where: short stacking energy: -20.533
Base-Backbone interact. energy: -0.008
local terms energy: -29.882271
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.658
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -41.509001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.509001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.509001 (E_RNA)
where:
Base-Base interactions energy: -16.294
where: short stacking energy: -16.294
Base-Backbone interact. energy: -0.009
local terms energy: -25.205764
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.889
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: -2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -41.915853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.915853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.915853 (E_RNA)
where:
Base-Base interactions energy: -15.557
where: short stacking energy: -15.557
Base-Backbone interact. energy: -0.000
local terms energy: -26.358422
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.991
flat angles P-C4'-P energy: -3.047
tors. eta vs tors. theta energy: -5.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -33.534843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.534843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.534843 (E_RNA)
where:
Base-Base interactions energy: -9.502
where: short stacking energy: -9.502
Base-Backbone interact. energy: -0.004
local terms energy: -24.028931
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -5.942
flat angles C4'-P-C4' energy: -6.169
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -44.593326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.593326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.593326 (E_RNA)
where:
Base-Base interactions energy: -18.499
where: short stacking energy: -18.499
Base-Backbone interact. energy: -0.030
local terms energy: -26.064291
where:
bonds (distance) C4'-P energy: -5.244
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -6.306
flat angles P-C4'-P energy: -4.320
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -36.908955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.908955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.908955 (E_RNA)
where:
Base-Base interactions energy: -13.829
where: short stacking energy: -13.829
Base-Backbone interact. energy: -0.014
local terms energy: -23.066398
where:
bonds (distance) C4'-P energy: -4.747
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -3.652
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -34.649041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.649041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.649041 (E_RNA)
where:
Base-Base interactions energy: -16.093
where: short stacking energy: -16.093
Base-Backbone interact. energy: -0.000
local terms energy: -18.555742
where:
bonds (distance) C4'-P energy: -3.742
bonds (distance) P-C4' energy: -3.603
flat angles C4'-P-C4' energy: -5.588
flat angles P-C4'-P energy: -1.602
tors. eta vs tors. theta energy: -4.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -43.149704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.149704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.149704 (E_RNA)
where:
Base-Base interactions energy: -16.868
where: short stacking energy: -16.868
Base-Backbone interact. energy: -0.000
local terms energy: -26.281332
where:
bonds (distance) C4'-P energy: -5.953
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -5.614
flat angles P-C4'-P energy: -4.100
tors. eta vs tors. theta energy: -4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -39.267778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.267778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.267778 (E_RNA)
where:
Base-Base interactions energy: -19.033
where: short stacking energy: -19.033
Base-Backbone interact. energy: -0.000
local terms energy: -20.234258
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -3.944
flat angles C4'-P-C4' energy: -4.025
flat angles P-C4'-P energy: -2.326
tors. eta vs tors. theta energy: -4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -55.446055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.446055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.446055 (E_RNA)
where:
Base-Base interactions energy: -28.238
where: short stacking energy: -16.041
Base-Backbone interact. energy: -0.088
local terms energy: -27.119529
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.162
flat angles P-C4'-P energy: -3.619
tors. eta vs tors. theta energy: -6.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -43.693235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.693235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.693235 (E_RNA)
where:
Base-Base interactions energy: -17.630
where: short stacking energy: -17.630
Base-Backbone interact. energy: -0.000
local terms energy: -26.063086
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -5.089
flat angles C4'-P-C4' energy: -4.914
flat angles P-C4'-P energy: -4.544
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: 3, replica: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -42.734165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.734165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.734165 (E_RNA)
where:
Base-Base interactions energy: -18.970
where: short stacking energy: -18.970
Base-Backbone interact. energy: -0.000
local terms energy: -23.764468
where:
bonds (distance) C4'-P energy: -4.993
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.464
flat angles P-C4'-P energy: -3.540
tors. eta vs tors. theta energy: -2.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -42.803316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.803316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.803316 (E_RNA)
where:
Base-Base interactions energy: -18.026
where: short stacking energy: -18.026
Base-Backbone interact. energy: -0.000
local terms energy: -24.776862
where:
bonds (distance) C4'-P energy: -4.756
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -3.749
flat angles P-C4'-P energy: -4.498
tors. eta vs tors. theta energy: -6.072
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: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -41.377381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.377381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.377381 (E_RNA)
where:
Base-Base interactions energy: -17.079
where: short stacking energy: -17.079
Base-Backbone interact. energy: -0.000
local terms energy: -24.298546
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.080
flat angles P-C4'-P energy: -3.929
tors. eta vs tors. theta energy: -2.811
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: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -39.619806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.619806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.619806 (E_RNA)
where:
Base-Base interactions energy: -15.914
where: short stacking energy: -15.914
Base-Backbone interact. energy: -0.034
local terms energy: -23.671340
where:
bonds (distance) C4'-P energy: -4.727
bonds (distance) P-C4' energy: -5.839
flat angles C4'-P-C4' energy: -5.711
flat angles P-C4'-P energy: -3.386
tors. eta vs tors. theta energy: -4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -34.862738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.862738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.862738 (E_RNA)
where:
Base-Base interactions energy: -15.703
where: short stacking energy: -10.876
Base-Backbone interact. energy: 0.718
local terms energy: -19.877319
where:
bonds (distance) C4'-P energy: -3.903
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.609
flat angles P-C4'-P energy: -4.400
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: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -40.749458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.749458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.749458 (E_RNA)
where:
Base-Base interactions energy: -16.362
where: short stacking energy: -16.362
Base-Backbone interact. energy: -0.028
local terms energy: -24.359294
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.206
flat angles P-C4'-P energy: -4.614
tors. eta vs tors. theta energy: -2.421
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: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -36.649453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.649453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.649453 (E_RNA)
where:
Base-Base interactions energy: -12.574
where: short stacking energy: -12.574
Base-Backbone interact. energy: -0.001
local terms energy: -24.074553
where:
bonds (distance) C4'-P energy: -4.996
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.374
flat angles P-C4'-P energy: -1.092
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -32.887516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.887516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.887516 (E_RNA)
where:
Base-Base interactions energy: -9.985
where: short stacking energy: -9.985
Base-Backbone interact. energy: -0.004
local terms energy: -22.899210
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.668
flat angles C4'-P-C4' energy: -5.237
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -48.815286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.815286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.815286 (E_RNA)
where:
Base-Base interactions energy: -24.746
where: short stacking energy: -24.746
Base-Backbone interact. energy: -0.000
local terms energy: -24.069319
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -4.366
flat angles P-C4'-P energy: -2.136
tors. eta vs tors. theta energy: -5.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -41.985674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.985674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.985674 (E_RNA)
where:
Base-Base interactions energy: -17.012
where: short stacking energy: -17.012
Base-Backbone interact. energy: -0.031
local terms energy: -24.942435
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -4.886
flat angles C4'-P-C4' energy: -4.938
flat angles P-C4'-P energy: -5.204
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: 3, replica: 4
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -51.895558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.895558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.895558 (E_RNA)
where:
Base-Base interactions energy: -31.287
where: short stacking energy: -16.855
Base-Backbone interact. energy: -0.005
local terms energy: -20.603466
where:
bonds (distance) C4'-P energy: -4.603
bonds (distance) P-C4' energy: -5.146
flat angles C4'-P-C4' energy: -5.203
flat angles P-C4'-P energy: -4.300
tors. eta vs tors. theta energy: -1.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -38.636374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.636374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.636374 (E_RNA)
where:
Base-Base interactions energy: -13.848
where: short stacking energy: -13.848
Base-Backbone interact. energy: -0.000
local terms energy: -24.788407
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.156
flat angles P-C4'-P energy: -3.974
tors. eta vs tors. theta energy: -1.913
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: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -46.061041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.061041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.061041 (E_RNA)
where:
Base-Base interactions energy: -19.500
where: short stacking energy: -19.500
Base-Backbone interact. energy: -0.000
local terms energy: -26.561038
where:
bonds (distance) C4'-P energy: -5.427
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -5.565
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -35.689341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.689341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.689341 (E_RNA)
where:
Base-Base interactions energy: -13.303
where: short stacking energy: -13.303
Base-Backbone interact. energy: -0.001
local terms energy: -22.385264
where:
bonds (distance) C4'-P energy: -4.673
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -4.249
flat angles P-C4'-P energy: -2.545
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: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -37.546416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.546416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.546416 (E_RNA)
where:
Base-Base interactions energy: -16.989
where: short stacking energy: -16.989
Base-Backbone interact. energy: -0.000
local terms energy: -20.557087
where:
bonds (distance) C4'-P energy: -4.587
bonds (distance) P-C4' energy: -5.110
flat angles C4'-P-C4' energy: -4.884
flat angles P-C4'-P energy: -1.058
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -38.808475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.808475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.808475 (E_RNA)
where:
Base-Base interactions energy: -16.010
where: short stacking energy: -16.010
Base-Backbone interact. energy: -0.000
local terms energy: -22.798665
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.262
flat angles P-C4'-P energy: -2.183
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -36.911493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.911493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.911493 (E_RNA)
where:
Base-Base interactions energy: -14.506
where: short stacking energy: -14.506
Base-Backbone interact. energy: -0.014
local terms energy: -22.391589
where:
bonds (distance) C4'-P energy: -4.309
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -6.010
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -34.505152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.505152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.505152 (E_RNA)
where:
Base-Base interactions energy: -13.988
where: short stacking energy: -13.988
Base-Backbone interact. energy: -0.000
local terms energy: -20.517554
where:
bonds (distance) C4'-P energy: -4.673
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.880
flat angles P-C4'-P energy: -3.455
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -44.043239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.043239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.043239 (E_RNA)
where:
Base-Base interactions energy: -17.830
where: short stacking energy: -17.830
Base-Backbone interact. energy: -0.000
local terms energy: -26.213575
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.535
flat angles P-C4'-P energy: -3.036
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -56.250682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.250682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.250682 (E_RNA)
where:
Base-Base interactions energy: -31.363
where: short stacking energy: -15.434
Base-Backbone interact. energy: -0.037
local terms energy: -24.850916
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -4.696
flat angles P-C4'-P energy: -2.845
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: 3, replica: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -50.358998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.358998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.358998 (E_RNA)
where:
Base-Base interactions energy: -23.533
where: short stacking energy: -23.533
Base-Backbone interact. energy: -0.000
local terms energy: -26.825854
where:
bonds (distance) C4'-P energy: -5.393
bonds (distance) P-C4' energy: -3.879
flat angles C4'-P-C4' energy: -5.814
flat angles P-C4'-P energy: -3.807
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: 4, replica: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -42.228881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.228881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.228881 (E_RNA)
where:
Base-Base interactions energy: -15.351
where: short stacking energy: -15.351
Base-Backbone interact. energy: -0.000
local terms energy: -26.878102
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -6.235
flat angles P-C4'-P energy: -3.927
tors. eta vs tors. theta energy: -4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -35.661645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.661645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.661645 (E_RNA)
where:
Base-Base interactions energy: -14.287
where: short stacking energy: -14.287
Base-Backbone interact. energy: -0.003
local terms energy: -21.372564
where:
bonds (distance) C4'-P energy: -4.647
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -4.641
flat angles P-C4'-P energy: -3.944
tors. eta vs tors. theta energy: -2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -42.560782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.560782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.560782 (E_RNA)
where:
Base-Base interactions energy: -12.367
where: short stacking energy: -12.367
Base-Backbone interact. energy: -0.000
local terms energy: -30.193324
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.358
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -6.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -37.318349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.318349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.318349 (E_RNA)
where:
Base-Base interactions energy: -18.867
where: short stacking energy: -12.368
Base-Backbone interact. energy: -0.000
local terms energy: -18.451626
where:
bonds (distance) C4'-P energy: -6.068
bonds (distance) P-C4' energy: -5.276
flat angles C4'-P-C4' energy: -2.288
flat angles P-C4'-P energy: -2.632
tors. eta vs tors. theta energy: -2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -35.224345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.224345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.224345 (E_RNA)
where:
Base-Base interactions energy: -12.811
where: short stacking energy: -12.811
Base-Backbone interact. energy: -0.002
local terms energy: -22.411392
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.358
flat angles C4'-P-C4' energy: -5.044
flat angles P-C4'-P energy: -1.418
tors. eta vs tors. theta energy: -3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -41.734097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.734097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.734097 (E_RNA)
where:
Base-Base interactions energy: -15.024
where: short stacking energy: -15.024
Base-Backbone interact. energy: -0.000
local terms energy: -26.709885
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -3.928
flat angles P-C4'-P energy: -4.509
tors. eta vs tors. theta energy: -5.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -41.271252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.271252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.271252 (E_RNA)
where:
Base-Base interactions energy: -20.160
where: short stacking energy: -20.160
Base-Backbone interact. energy: -0.000
local terms energy: -21.110966
where:
bonds (distance) C4'-P energy: -0.793
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -3.917
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: -5.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -57.053394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.053394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.053394 (E_RNA)
where:
Base-Base interactions energy: -37.162
where: short stacking energy: -16.669
Base-Backbone interact. energy: -0.000
local terms energy: -19.890640
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.565
flat angles P-C4'-P energy: 0.433
tors. eta vs tors. theta energy: -2.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -51.334044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.334044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.334044 (E_RNA)
where:
Base-Base interactions energy: -27.562
where: short stacking energy: -10.527
Base-Backbone interact. energy: -0.088
local terms energy: -23.683981
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.285
flat angles P-C4'-P energy: -2.195
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: 3, replica: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -49.607295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.607295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.607295 (E_RNA)
where:
Base-Base interactions energy: -29.365
where: short stacking energy: -17.488
Base-Backbone interact. energy: -0.000
local terms energy: -20.241795
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -3.177
flat angles P-C4'-P energy: -3.381
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: 4, replica: 7
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -35.849257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.849257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.849257 (E_RNA)
where:
Base-Base interactions energy: -13.362
where: short stacking energy: -13.362
Base-Backbone interact. energy: -0.062
local terms energy: -22.424600
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -5.991
flat angles C4'-P-C4' energy: -4.565
flat angles P-C4'-P energy: -5.113
tors. eta vs tors. theta energy: -1.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -42.143581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.143581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.143581 (E_RNA)
where:
Base-Base interactions energy: -16.056
where: short stacking energy: -16.056
Base-Backbone interact. energy: -0.001
local terms energy: -26.087150
where:
bonds (distance) C4'-P energy: -5.253
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.487
flat angles P-C4'-P energy: -3.731
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -41.534704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.534704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.534704 (E_RNA)
where:
Base-Base interactions energy: -14.433
where: short stacking energy: -13.679
Base-Backbone interact. energy: -0.000
local terms energy: -27.101846
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.188
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: -4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -39.543324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.543324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.543324 (E_RNA)
where:
Base-Base interactions energy: -19.990
where: short stacking energy: -10.211
Base-Backbone interact. energy: -0.061
local terms energy: -19.492320
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.266
flat angles P-C4'-P energy: -1.851
tors. eta vs tors. theta energy: -0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -37.189257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.189257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.189257 (E_RNA)
where:
Base-Base interactions energy: -13.952
where: short stacking energy: -13.952
Base-Backbone interact. energy: -0.012
local terms energy: -23.225242
where:
bonds (distance) C4'-P energy: -4.755
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -4.017
flat angles P-C4'-P energy: -3.134
tors. eta vs tors. theta energy: -4.175
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: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -32.997972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.997972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.997972 (E_RNA)
where:
Base-Base interactions energy: -12.978
where: short stacking energy: -12.978
Base-Backbone interact. energy: -0.001
local terms energy: -20.019418
where:
bonds (distance) C4'-P energy: -4.322
bonds (distance) P-C4' energy: -5.097
flat angles C4'-P-C4' energy: -5.642
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: 0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -30.900841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.900841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.900841 (E_RNA)
where:
Base-Base interactions energy: -6.761
where: short stacking energy: -6.761
Base-Backbone interact. energy: -0.000
local terms energy: -24.139663
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.849
flat angles P-C4'-P energy: -3.934
tors. eta vs tors. theta energy: -2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -48.634041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.634041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.634041 (E_RNA)
where:
Base-Base interactions energy: -21.181
where: short stacking energy: -21.181
Base-Backbone interact. energy: -0.000
local terms energy: -27.453212
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -4.917
flat angles C4'-P-C4' energy: -6.273
flat angles P-C4'-P energy: -4.736
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: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -49.440058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.440058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.440058 (E_RNA)
where:
Base-Base interactions energy: -21.520
where: short stacking energy: -21.520
Base-Backbone interact. energy: -0.000
local terms energy: -27.920163
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.798
flat angles P-C4'-P energy: -4.487
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: 3, replica: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -42.498969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.498969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.498969 (E_RNA)
where:
Base-Base interactions energy: -17.699
where: short stacking energy: -17.699
Base-Backbone interact. energy: -0.000
local terms energy: -24.799809
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -4.900
flat angles P-C4'-P energy: -3.776
tors. eta vs tors. theta energy: -4.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -39.385815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.385815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.385815 (E_RNA)
where:
Base-Base interactions energy: -15.885
where: short stacking energy: -15.885
Base-Backbone interact. energy: -0.074
local terms energy: -23.426102
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -4.413
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: -2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -42.611264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.611264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.611264 (E_RNA)
where:
Base-Base interactions energy: -17.369
where: short stacking energy: -17.369
Base-Backbone interact. energy: -0.000
local terms energy: -25.242589
where:
bonds (distance) C4'-P energy: -4.499
bonds (distance) P-C4' energy: -5.420
flat angles C4'-P-C4' energy: -5.638
flat angles P-C4'-P energy: -4.807
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: 6, replica: 4
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -44.195550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.195550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.195550 (E_RNA)
where:
Base-Base interactions energy: -17.521
where: short stacking energy: -17.521
Base-Backbone interact. energy: -0.000
local terms energy: -26.674490
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -4.318
flat angles P-C4'-P energy: -4.180
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -37.442282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.442282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.442282 (E_RNA)
where:
Base-Base interactions energy: -12.435
where: short stacking energy: -12.435
Base-Backbone interact. energy: -0.003
local terms energy: -25.005169
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -6.200
flat angles P-C4'-P energy: -4.395
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -34.883227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.883227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.883227 (E_RNA)
where:
Base-Base interactions energy: -16.331
where: short stacking energy: -16.331
Base-Backbone interact. energy: -0.634
local terms energy: -17.918288
where:
bonds (distance) C4'-P energy: -5.650
bonds (distance) P-C4' energy: -4.910
flat angles C4'-P-C4' energy: -3.427
flat angles P-C4'-P energy: -1.640
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: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -33.474667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.474667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.474667 (E_RNA)
where:
Base-Base interactions energy: -10.254
where: short stacking energy: -10.854
Base-Backbone interact. energy: -0.005
local terms energy: -23.216077
where:
bonds (distance) C4'-P energy: -3.878
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.520
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -3.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -32.521953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.521953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.521953 (E_RNA)
where:
Base-Base interactions energy: -8.450
where: short stacking energy: -8.450
Base-Backbone interact. energy: -0.000
local terms energy: -24.072265
where:
bonds (distance) C4'-P energy: -4.383
bonds (distance) P-C4' energy: -5.438
flat angles C4'-P-C4' energy: -6.730
flat angles P-C4'-P energy: -3.861
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: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -53.193166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.193166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.193166 (E_RNA)
where:
Base-Base interactions energy: -23.319
where: short stacking energy: -23.319
Base-Backbone interact. energy: -0.000
local terms energy: -29.874352
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -6.322
flat angles P-C4'-P energy: -3.717
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: 2, replica: 7
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -49.539557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.539557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.539557 (E_RNA)
where:
Base-Base interactions energy: -22.215
where: short stacking energy: -22.215
Base-Backbone interact. energy: -0.000
local terms energy: -27.324571
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.607
flat angles P-C4'-P energy: -2.738
tors. eta vs tors. theta energy: -6.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -52.096630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.096630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.096630 (E_RNA)
where:
Base-Base interactions energy: -28.357
where: short stacking energy: -14.490
Base-Backbone interact. energy: -0.000
local terms energy: -23.739701
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -6.464
flat angles P-C4'-P energy: -3.481
tors. eta vs tors. theta energy: -0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -39.118521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.118521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.118521 (E_RNA)
where:
Base-Base interactions energy: -15.403
where: short stacking energy: -15.403
Base-Backbone interact. energy: -0.181
local terms energy: -23.534562
where:
bonds (distance) C4'-P energy: -5.253
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -5.357
flat angles P-C4'-P energy: -3.489
tors. eta vs tors. theta energy: -2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -39.441313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.441313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.441313 (E_RNA)
where:
Base-Base interactions energy: -15.172
where: short stacking energy: -15.172
Base-Backbone interact. energy: -0.092
local terms energy: -24.177076
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -5.886
flat angles C4'-P-C4' energy: -5.903
flat angles P-C4'-P energy: -2.900
tors. eta vs tors. theta energy: -4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -34.822490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.822490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.822490 (E_RNA)
where:
Base-Base interactions energy: -11.760
where: short stacking energy: -11.760
Base-Backbone interact. energy: -0.099
local terms energy: -22.963159
where:
bonds (distance) C4'-P energy: -4.835
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -5.817
flat angles P-C4'-P energy: -2.966
tors. eta vs tors. theta energy: -3.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -32.832869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.832869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.832869 (E_RNA)
where:
Base-Base interactions energy: -15.750
where: short stacking energy: -15.750
Base-Backbone interact. energy: -0.000
local terms energy: -17.082590
where:
bonds (distance) C4'-P energy: -4.056
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -2.286
flat angles P-C4'-P energy: -3.134
tors. eta vs tors. theta energy: -2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -31.736451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.736451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.736451 (E_RNA)
where:
Base-Base interactions energy: -12.674
where: short stacking energy: -12.674
Base-Backbone interact. energy: -0.051
local terms energy: -19.011512
where:
bonds (distance) C4'-P energy: -1.576
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -5.427
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -34.048000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.048000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.048000 (E_RNA)
where:
Base-Base interactions energy: -14.766
where: short stacking energy: -14.766
Base-Backbone interact. energy: -0.001
local terms energy: -19.281034
where:
bonds (distance) C4'-P energy: -5.427
bonds (distance) P-C4' energy: -4.199
flat angles C4'-P-C4' energy: -4.991
flat angles P-C4'-P energy: -3.398
tors. eta vs tors. theta energy: -1.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -38.333172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.333172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.333172 (E_RNA)
where:
Base-Base interactions energy: -21.814
where: short stacking energy: -14.377
Base-Backbone interact. energy: -0.000
local terms energy: -16.519011
where:
bonds (distance) C4'-P energy: -2.777
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -3.754
flat angles P-C4'-P energy: 0.468
tors. eta vs tors. theta energy: -4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -45.987912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.987912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.987912 (E_RNA)
where:
Base-Base interactions energy: -19.505
where: short stacking energy: -19.505
Base-Backbone interact. energy: -0.037
local terms energy: -26.446585
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -6.607
flat angles P-C4'-P energy: -3.050
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -45.934325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.934325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.934325 (E_RNA)
where:
Base-Base interactions energy: -20.767
where: short stacking energy: -20.767
Base-Backbone interact. energy: -0.000
local terms energy: -25.167557
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -3.624
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -5.531
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: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -53.611847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.611847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.611847 (E_RNA)
where:
Base-Base interactions energy: -30.420
where: short stacking energy: -18.134
Base-Backbone interact. energy: -0.010
local terms energy: -23.181944
where:
bonds (distance) C4'-P energy: -4.983
bonds (distance) P-C4' energy: -6.156
flat angles C4'-P-C4' energy: -5.293
flat angles P-C4'-P energy: -3.713
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -46.406392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.406392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.406392 (E_RNA)
where:
Base-Base interactions energy: -22.352
where: short stacking energy: -22.352
Base-Backbone interact. energy: -0.000
local terms energy: -24.054008
where:
bonds (distance) C4'-P energy: -3.982
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -4.467
flat angles P-C4'-P energy: -5.345
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: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -37.613308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.613308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.613308 (E_RNA)
where:
Base-Base interactions energy: -15.603
where: short stacking energy: -15.603
Base-Backbone interact. energy: -0.001
local terms energy: -22.008634
where:
bonds (distance) C4'-P energy: -3.290
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -3.962
flat angles P-C4'-P energy: -4.145
tors. eta vs tors. theta energy: -3.471
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: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -41.382540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.382540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.382540 (E_RNA)
where:
Base-Base interactions energy: -17.193
where: short stacking energy: -17.193
Base-Backbone interact. energy: -0.013
local terms energy: -24.177255
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.896
flat angles P-C4'-P energy: -4.614
tors. eta vs tors. theta energy: -2.954
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: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -34.761292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.761292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.761292 (E_RNA)
where:
Base-Base interactions energy: -12.492
where: short stacking energy: -12.492
Base-Backbone interact. energy: -0.018
local terms energy: -22.251443
where:
bonds (distance) C4'-P energy: -4.293
bonds (distance) P-C4' energy: -6.122
flat angles C4'-P-C4' energy: -5.600
flat angles P-C4'-P energy: -2.551
tors. eta vs tors. theta energy: -3.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -37.595217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.595217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.595217 (E_RNA)
where:
Base-Base interactions energy: -10.767
where: short stacking energy: -10.767
Base-Backbone interact. energy: -0.000
local terms energy: -26.828201
where:
bonds (distance) C4'-P energy: -4.631
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.745
flat angles P-C4'-P energy: -4.062
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -32.194310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.194310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.194310 (E_RNA)
where:
Base-Base interactions energy: -9.770
where: short stacking energy: -9.770
Base-Backbone interact. energy: -0.027
local terms energy: -22.397203
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -3.871
flat angles P-C4'-P energy: -2.329
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -32.648044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.648044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.648044 (E_RNA)
where:
Base-Base interactions energy: -13.847
where: short stacking energy: -11.927
Base-Backbone interact. energy: -0.140
local terms energy: -18.660366
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.045
flat angles P-C4'-P energy: -1.450
tors. eta vs tors. theta energy: 0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -44.150706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.150706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.150706 (E_RNA)
where:
Base-Base interactions energy: -19.394
where: short stacking energy: -19.394
Base-Backbone interact. energy: -0.000
local terms energy: -24.756956
where:
bonds (distance) C4'-P energy: -5.509
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.056
flat angles P-C4'-P energy: -3.686
tors. eta vs tors. theta energy: -3.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -52.781793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.781793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.781793 (E_RNA)
where:
Base-Base interactions energy: -24.342
where: short stacking energy: -24.342
Base-Backbone interact. energy: -0.000
local terms energy: -28.439431
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -6.313
flat angles P-C4'-P energy: -2.216
tors. eta vs tors. theta energy: -7.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -44.005544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.005544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.005544 (E_RNA)
where:
Base-Base interactions energy: -19.110
where: short stacking energy: -19.110
Base-Backbone interact. energy: -0.000
local terms energy: -24.895340
where:
bonds (distance) C4'-P energy: -5.037
bonds (distance) P-C4' energy: -4.398
flat angles C4'-P-C4' energy: -5.511
flat angles P-C4'-P energy: -5.001
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: 4, replica: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -43.735527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.735527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.735527 (E_RNA)
where:
Base-Base interactions energy: -17.760
where: short stacking energy: -17.760
Base-Backbone interact. energy: -0.000
local terms energy: -25.975421
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -4.183
flat angles P-C4'-P energy: -3.846
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: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -38.014618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.014618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.014618 (E_RNA)
where:
Base-Base interactions energy: -16.480
where: short stacking energy: -12.366
Base-Backbone interact. energy: -0.011
local terms energy: -21.523940
where:
bonds (distance) C4'-P energy: -4.789
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.002
flat angles P-C4'-P energy: -3.112
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -39.902506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.902506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.902506 (E_RNA)
where:
Base-Base interactions energy: -15.980
where: short stacking energy: -15.980
Base-Backbone interact. energy: -0.007
local terms energy: -23.915561
where:
bonds (distance) C4'-P energy: -5.117
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.656
flat angles P-C4'-P energy: -3.528
tors. eta vs tors. theta energy: -2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -33.425903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.425903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.425903 (E_RNA)
where:
Base-Base interactions energy: -12.316
where: short stacking energy: -12.316
Base-Backbone interact. energy: -0.166
local terms energy: -20.944097
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -6.046
flat angles P-C4'-P energy: -1.299
tors. eta vs tors. theta energy: -1.534
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: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -45.355958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.355958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.355958 (E_RNA)
where:
Base-Base interactions energy: -18.760
where: short stacking energy: -18.760
Base-Backbone interact. energy: -0.000
local terms energy: -26.596219
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -5.171
flat angles C4'-P-C4' energy: -6.079
flat angles P-C4'-P energy: -2.859
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -36.034571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.034571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.034571 (E_RNA)
where:
Base-Base interactions energy: -14.069
where: short stacking energy: -14.069
Base-Backbone interact. energy: -0.000
local terms energy: -21.965675
where:
bonds (distance) C4'-P energy: -4.533
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -5.820
flat angles P-C4'-P energy: -2.713
tors. eta vs tors. theta energy: -3.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -31.902313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.902313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.902313 (E_RNA)
where:
Base-Base interactions energy: -11.073
where: short stacking energy: -11.073
Base-Backbone interact. energy: -0.001
local terms energy: -20.828550
where:
bonds (distance) C4'-P energy: -5.891
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.886
flat angles P-C4'-P energy: -2.339
tors. eta vs tors. theta energy: -0.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -48.542985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.542985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.542985 (E_RNA)
where:
Base-Base interactions energy: -19.949
where: short stacking energy: -19.949
Base-Backbone interact. energy: -0.009
local terms energy: -28.585600
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -4.665
flat angles P-C4'-P energy: -5.102
tors. eta vs tors. theta energy: -6.075
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: 254
Temperature: 0.950000
Total energy: -51.377906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.377906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.377906 (E_RNA)
where:
Base-Base interactions energy: -23.353
where: short stacking energy: -23.353
Base-Backbone interact. energy: -0.000
local terms energy: -28.024948
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.399
flat angles P-C4'-P energy: -4.343
tors. eta vs tors. theta energy: -5.974
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: 3, replica: 6
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -39.311992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.311992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.311992 (E_RNA)
where:
Base-Base interactions energy: -13.973
where: short stacking energy: -13.973
Base-Backbone interact. energy: -0.000
local terms energy: -25.338810
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.761
flat angles P-C4'-P energy: -4.921
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: 4, replica: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -45.558412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.558412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.558412 (E_RNA)
where:
Base-Base interactions energy: -20.512
where: short stacking energy: -20.512
Base-Backbone interact. energy: -0.000
local terms energy: -25.046586
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -2.749
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -41.695392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.695392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.695392 (E_RNA)
where:
Base-Base interactions energy: -22.050
where: short stacking energy: -22.050
Base-Backbone interact. energy: -0.000
local terms energy: -19.645292
where:
bonds (distance) C4'-P energy: -2.848
bonds (distance) P-C4' energy: -4.739
flat angles C4'-P-C4' energy: -3.444
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -37.245991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.245991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.245991 (E_RNA)
where:
Base-Base interactions energy: -15.750
where: short stacking energy: -15.750
Base-Backbone interact. energy: -0.000
local terms energy: -21.495965
where:
bonds (distance) C4'-P energy: -4.168
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.303
flat angles P-C4'-P energy: -2.344
tors. eta vs tors. theta energy: -3.547
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: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -35.324235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.324235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.324235 (E_RNA)
where:
Base-Base interactions energy: -16.339
where: short stacking energy: -12.828
Base-Backbone interact. energy: -0.025
local terms energy: -18.959703
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -5.071
flat angles C4'-P-C4' energy: -3.551
flat angles P-C4'-P energy: -3.019
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -35.268747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.268747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.268747 (E_RNA)
where:
Base-Base interactions energy: -15.226
where: short stacking energy: -15.226
Base-Backbone interact. energy: -0.062
local terms energy: -19.980518
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.460
flat angles C4'-P-C4' energy: -1.874
flat angles P-C4'-P energy: -4.105
tors. eta vs tors. theta energy: -1.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -35.851414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.851414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.851414 (E_RNA)
where:
Base-Base interactions energy: -14.425
where: short stacking energy: -14.425
Base-Backbone interact. energy: -0.007
local terms energy: -21.419183
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -3.804
flat angles C4'-P-C4' energy: -5.230
flat angles P-C4'-P energy: -3.932
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: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -42.366601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.366601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.366601 (E_RNA)
where:
Base-Base interactions energy: -18.829
where: short stacking energy: -18.829
Base-Backbone interact. energy: -0.000
local terms energy: -23.537226
where:
bonds (distance) C4'-P energy: -4.764
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -4.437
flat angles P-C4'-P energy: -3.803
tors. eta vs tors. theta energy: -4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -41.891456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.891456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.891456 (E_RNA)
where:
Base-Base interactions energy: -14.875
where: short stacking energy: -14.650
Base-Backbone interact. energy: -0.086
local terms energy: -26.929789
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -6.329
flat angles P-C4'-P energy: -3.229
tors. eta vs tors. theta energy: -4.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -44.534415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.534415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.534415 (E_RNA)
where:
Base-Base interactions energy: -21.448
where: short stacking energy: -21.448
Base-Backbone interact. energy: -0.000
local terms energy: -23.085817
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -5.159
flat angles C4'-P-C4' energy: -4.897
flat angles P-C4'-P energy: -3.041
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: 3, replica: 6
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -46.832984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.832984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.832984 (E_RNA)
where:
Base-Base interactions energy: -19.350
where: short stacking energy: -19.350
Base-Backbone interact. energy: -0.048
local terms energy: -27.434220
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.495
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -3.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -42.777607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.777607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.777607 (E_RNA)
where:
Base-Base interactions energy: -18.819
where: short stacking energy: -18.819
Base-Backbone interact. energy: -0.002
local terms energy: -23.956634
where:
bonds (distance) C4'-P energy: -2.988
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -6.198
flat angles P-C4'-P energy: -2.802
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -37.488986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.488986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.488986 (E_RNA)
where:
Base-Base interactions energy: -15.917
where: short stacking energy: -15.917
Base-Backbone interact. energy: -0.000
local terms energy: -21.571583
where:
bonds (distance) C4'-P energy: -3.324
bonds (distance) P-C4' energy: -5.594
flat angles C4'-P-C4' energy: -5.556
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -3.961
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: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -40.070162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.070162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.070162 (E_RNA)
where:
Base-Base interactions energy: -21.092
where: short stacking energy: -16.099
Base-Backbone interact. energy: -0.000
local terms energy: -18.977957
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -3.241
flat angles C4'-P-C4' energy: -4.510
flat angles P-C4'-P energy: -3.002
tors. eta vs tors. theta energy: -3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -39.319568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.319568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.319568 (E_RNA)
where:
Base-Base interactions energy: -19.174
where: short stacking energy: -10.097
Base-Backbone interact. energy: -0.016
local terms energy: -20.130021
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -5.103
flat angles C4'-P-C4' energy: -5.046
flat angles P-C4'-P energy: -2.871
tors. eta vs tors. theta energy: -1.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -35.915078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.915078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.915078 (E_RNA)
where:
Base-Base interactions energy: -16.062
where: short stacking energy: -5.405
Base-Backbone interact. energy: -1.152
local terms energy: -18.701537
where:
bonds (distance) C4'-P energy: -3.670
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.255
flat angles P-C4'-P energy: -3.456
tors. eta vs tors. theta energy: 0.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -34.946704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.946704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.946704 (E_RNA)
where:
Base-Base interactions energy: -15.219
where: short stacking energy: -15.219
Base-Backbone interact. energy: -0.000
local terms energy: -19.727552
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -4.625
flat angles C4'-P-C4' energy: -1.846
flat angles P-C4'-P energy: -1.774
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: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -36.495356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.495356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.495356 (E_RNA)
where:
Base-Base interactions energy: -13.089
where: short stacking energy: -13.089
Base-Backbone interact. energy: -0.000
local terms energy: -23.406652
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -4.684
flat angles C4'-P-C4' energy: -5.139
flat angles P-C4'-P energy: -3.458
tors. eta vs tors. theta energy: -4.197
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: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -46.453262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.453262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.453262 (E_RNA)
where:
Base-Base interactions energy: -21.819
where: short stacking energy: -21.819
Base-Backbone interact. energy: -0.000
local terms energy: -24.633898
where:
bonds (distance) C4'-P energy: -3.344
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.375
flat angles P-C4'-P energy: -3.970
tors. eta vs tors. theta energy: -6.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -43.279851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.279851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.279851 (E_RNA)
where:
Base-Base interactions energy: -18.399
where: short stacking energy: -8.969
Base-Backbone interact. energy: -0.021
local terms energy: -24.860407
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.146
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -49.499720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.499720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.499720 (E_RNA)
where:
Base-Base interactions energy: -22.056
where: short stacking energy: -22.056
Base-Backbone interact. energy: -0.000
local terms energy: -27.443975
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.364
flat angles C4'-P-C4' energy: -6.392
flat angles P-C4'-P energy: -3.405
tors. eta vs tors. theta energy: -5.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -48.797660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.797660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.797660 (E_RNA)
where:
Base-Base interactions energy: -21.656
where: short stacking energy: -21.656
Base-Backbone interact. energy: -0.000
local terms energy: -27.141527
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -4.463
flat angles C4'-P-C4' energy: -6.677
flat angles P-C4'-P energy: -3.189
tors. eta vs tors. theta energy: -7.279
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: 5, replica: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -47.399573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.399573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.399573 (E_RNA)
where:
Base-Base interactions energy: -17.864
where: short stacking energy: -17.864
Base-Backbone interact. energy: -0.000
local terms energy: -29.535812
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -6.071
flat angles P-C4'-P energy: -4.811
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: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -40.726170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.726170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.726170 (E_RNA)
where:
Base-Base interactions energy: -15.781
where: short stacking energy: -15.781
Base-Backbone interact. energy: -0.006
local terms energy: -24.938948
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -6.367
flat angles C4'-P-C4' energy: -5.057
flat angles P-C4'-P energy: -3.553
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -39.871021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.871021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.871021 (E_RNA)
where:
Base-Base interactions energy: -14.759
where: short stacking energy: -14.759
Base-Backbone interact. energy: -0.014
local terms energy: -25.097758
where:
bonds (distance) C4'-P energy: -4.098
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.922
flat angles P-C4'-P energy: -4.792
tors. eta vs tors. theta energy: -3.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -35.213027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.213027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.213027 (E_RNA)
where:
Base-Base interactions energy: -13.528
where: short stacking energy: -13.528
Base-Backbone interact. energy: -0.001
local terms energy: -21.683760
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -4.061
flat angles C4'-P-C4' energy: -3.536
flat angles P-C4'-P energy: -4.093
tors. eta vs tors. theta energy: -4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -37.487578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.487578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.487578 (E_RNA)
where:
Base-Base interactions energy: -13.899
where: short stacking energy: -13.899
Base-Backbone interact. energy: -0.000
local terms energy: -23.588338
where:
bonds (distance) C4'-P energy: -3.680
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.501
flat angles P-C4'-P energy: -2.509
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -42.164160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.164160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.164160 (E_RNA)
where:
Base-Base interactions energy: -17.987
where: short stacking energy: -17.987
Base-Backbone interact. energy: -0.000
local terms energy: -24.176925
where:
bonds (distance) C4'-P energy: -2.835
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.305
flat angles P-C4'-P energy: -5.168
tors. eta vs tors. theta energy: -4.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -46.925349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.925349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.925349 (E_RNA)
where:
Base-Base interactions energy: -22.661
where: short stacking energy: -22.661
Base-Backbone interact. energy: -0.001
local terms energy: -24.264163
where:
bonds (distance) C4'-P energy: -5.733
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.657
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -38.782703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.782703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.782703 (E_RNA)
where:
Base-Base interactions energy: -22.196
where: short stacking energy: -11.543
Base-Backbone interact. energy: -0.002
local terms energy: -16.584251
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -5.619
flat angles P-C4'-P energy: -0.939
tors. eta vs tors. theta energy: 3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -45.156419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.156419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.156419 (E_RNA)
where:
Base-Base interactions energy: -18.116
where: short stacking energy: -18.116
Base-Backbone interact. energy: -0.000
local terms energy: -27.039973
where:
bonds (distance) C4'-P energy: -4.835
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.514
flat angles P-C4'-P energy: -3.667
tors. eta vs tors. theta energy: -6.588
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: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -43.588184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.588184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.588184 (E_RNA)
where:
Base-Base interactions energy: -21.574
where: short stacking energy: -21.574
Base-Backbone interact. energy: -0.000
local terms energy: -22.014281
where:
bonds (distance) C4'-P energy: -4.996
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -2.910
flat angles P-C4'-P energy: -2.750
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: 5, replica: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -49.737961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.737961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.737961 (E_RNA)
where:
Base-Base interactions energy: -21.536
where: short stacking energy: -21.536
Base-Backbone interact. energy: -0.000
local terms energy: -28.202171
where:
bonds (distance) C4'-P energy: -4.743
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -6.309
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -7.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -38.076700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.076700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.076700 (E_RNA)
where:
Base-Base interactions energy: -15.276
where: short stacking energy: -15.276
Base-Backbone interact. energy: -0.000
local terms energy: -22.801015
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -5.868
flat angles C4'-P-C4' energy: -4.883
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: -2.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -40.789007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.789007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.789007 (E_RNA)
where:
Base-Base interactions energy: -18.674
where: short stacking energy: -18.674
Base-Backbone interact. energy: -0.001
local terms energy: -22.113674
where:
bonds (distance) C4'-P energy: -4.090
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -3.091
flat angles P-C4'-P energy: -4.227
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -30.726683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.726683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.726683 (E_RNA)
where:
Base-Base interactions energy: -8.709
where: short stacking energy: -8.709
Base-Backbone interact. energy: -0.058
local terms energy: -21.959494
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -5.407
flat angles P-C4'-P energy: -2.524
tors. eta vs tors. theta energy: -0.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -37.927502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.927502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.927502 (E_RNA)
where:
Base-Base interactions energy: -13.207
where: short stacking energy: -13.207
Base-Backbone interact. energy: -0.000
local terms energy: -24.720297
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.729
flat angles P-C4'-P energy: -4.460
tors. eta vs tors. theta energy: -2.440
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: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -33.871630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.871630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.871630 (E_RNA)
where:
Base-Base interactions energy: -10.309
where: short stacking energy: -10.309
Base-Backbone interact. energy: -0.001
local terms energy: -23.561314
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -5.756
flat angles P-C4'-P energy: -2.645
tors. eta vs tors. theta energy: -3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -50.493685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.493685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.493685 (E_RNA)
where:
Base-Base interactions energy: -22.045
where: short stacking energy: -22.045
Base-Backbone interact. energy: -0.000
local terms energy: -28.448770
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.398
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -6.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -46.892410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.892410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.892410 (E_RNA)
where:
Base-Base interactions energy: -21.573
where: short stacking energy: -21.573
Base-Backbone interact. energy: -0.000
local terms energy: -25.318894
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -3.667
flat angles P-C4'-P energy: -5.105
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: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -46.688657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.688657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.688657 (E_RNA)
where:
Base-Base interactions energy: -20.631
where: short stacking energy: -20.631
Base-Backbone interact. energy: -0.000
local terms energy: -26.057734
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.539
flat angles P-C4'-P energy: -3.656
tors. eta vs tors. theta energy: -5.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -35.092126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.092126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.092126 (E_RNA)
where:
Base-Base interactions energy: -13.247
where: short stacking energy: -13.247
Base-Backbone interact. energy: -0.000
local terms energy: -21.844270
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -5.034
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: 0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -40.521846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.521846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.521846 (E_RNA)
where:
Base-Base interactions energy: -13.462
where: short stacking energy: -13.462
Base-Backbone interact. energy: -0.000
local terms energy: -27.059947
where:
bonds (distance) C4'-P energy: -6.362
bonds (distance) P-C4' energy: -6.396
flat angles C4'-P-C4' energy: -6.611
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -3.101
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: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -35.259603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.259603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.259603 (E_RNA)
where:
Base-Base interactions energy: -14.717
where: short stacking energy: -14.717
Base-Backbone interact. energy: -0.000
local terms energy: -20.542659
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -4.991
flat angles C4'-P-C4' energy: -4.244
flat angles P-C4'-P energy: -2.297
tors. eta vs tors. theta energy: -3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -31.861181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.861181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.861181 (E_RNA)
where:
Base-Base interactions energy: -9.289
where: short stacking energy: -2.994
Base-Backbone interact. energy: -0.003
local terms energy: -22.568817
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.443
flat angles P-C4'-P energy: -3.209
tors. eta vs tors. theta energy: -1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -37.101707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.101707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.101707 (E_RNA)
where:
Base-Base interactions energy: -11.860
where: short stacking energy: -11.860
Base-Backbone interact. energy: -0.099
local terms energy: -25.142962
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -5.177
flat angles P-C4'-P energy: -3.725
tors. eta vs tors. theta energy: -4.601
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: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -38.786378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.786378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.786378 (E_RNA)
where:
Base-Base interactions energy: -14.255
where: short stacking energy: -14.255
Base-Backbone interact. energy: -0.000
local terms energy: -24.531427
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.421
flat angles P-C4'-P energy: -3.599
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -31.429783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.429783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.429783 (E_RNA)
where:
Base-Base interactions energy: -12.108
where: short stacking energy: -12.108
Base-Backbone interact. energy: -0.060
local terms energy: -19.261768
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.687
flat angles P-C4'-P energy: -2.356
tors. eta vs tors. theta energy: -0.606
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: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -50.853867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.853867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.853867 (E_RNA)
where:
Base-Base interactions energy: -23.778
where: short stacking energy: -23.778
Base-Backbone interact. energy: -0.000
local terms energy: -27.075692
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -5.833
flat angles C4'-P-C4' energy: -5.038
flat angles P-C4'-P energy: -2.683
tors. eta vs tors. theta energy: -7.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -37.460495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.460495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.460495 (E_RNA)
where:
Base-Base interactions energy: -13.706
where: short stacking energy: -13.706
Base-Backbone interact. energy: -0.028
local terms energy: -23.726462
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -3.372
flat angles P-C4'-P energy: -4.543
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: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -43.029728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.029728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.029728 (E_RNA)
where:
Base-Base interactions energy: -20.709
where: short stacking energy: -11.827
Base-Backbone interact. energy: -0.002
local terms energy: -22.318037
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.717
flat angles P-C4'-P energy: -2.738
tors. eta vs tors. theta energy: -2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -41.973038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.973038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.973038 (E_RNA)
where:
Base-Base interactions energy: -23.136
where: short stacking energy: -8.636
Base-Backbone interact. energy: -0.001
local terms energy: -18.835253
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.095
flat angles P-C4'-P energy: -2.215
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: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -39.043829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.043829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.043829 (E_RNA)
where:
Base-Base interactions energy: -18.334
where: short stacking energy: -13.862
Base-Backbone interact. energy: -0.001
local terms energy: -20.708472
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -1.929
flat angles P-C4'-P energy: -3.281
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -30.246164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.246164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.246164 (E_RNA)
where:
Base-Base interactions energy: -8.226
where: short stacking energy: -6.321
Base-Backbone interact. energy: -0.060
local terms energy: -21.960332
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.391
flat angles P-C4'-P energy: -3.729
tors. eta vs tors. theta energy: -1.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -36.753250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.753250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.753250 (E_RNA)
where:
Base-Base interactions energy: -13.879
where: short stacking energy: -12.392
Base-Backbone interact. energy: -0.037
local terms energy: -22.836822
where:
bonds (distance) C4'-P energy: -4.540
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.105
flat angles P-C4'-P energy: -3.116
tors. eta vs tors. theta energy: -3.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -42.548572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.548572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.548572 (E_RNA)
where:
Base-Base interactions energy: -21.564
where: short stacking energy: -21.564
Base-Backbone interact. energy: 0.524
local terms energy: -21.507965
where:
bonds (distance) C4'-P energy: -4.318
bonds (distance) P-C4' energy: -5.068
flat angles C4'-P-C4' energy: -5.215
flat angles P-C4'-P energy: -1.350
tors. eta vs tors. theta energy: -5.557
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: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -33.264707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.264707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.264707 (E_RNA)
where:
Base-Base interactions energy: -9.713
where: short stacking energy: -9.713
Base-Backbone interact. energy: -0.048
local terms energy: -23.503313
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.963
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -30.000450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.000450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.000450 (E_RNA)
where:
Base-Base interactions energy: -10.628
where: short stacking energy: -10.628
Base-Backbone interact. energy: -0.002
local terms energy: -19.370642
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.361
flat angles C4'-P-C4' energy: -3.636
flat angles P-C4'-P energy: -3.366
tors. eta vs tors. theta energy: -0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -46.800369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.800369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.800369 (E_RNA)
where:
Base-Base interactions energy: -20.149
where: short stacking energy: -20.149
Base-Backbone interact. energy: -0.000
local terms energy: -26.651123
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.343
flat angles P-C4'-P energy: -3.975
tors. eta vs tors. theta energy: -6.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -46.156884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.156884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.156884 (E_RNA)
where:
Base-Base interactions energy: -20.314
where: short stacking energy: -20.314
Base-Backbone interact. energy: -0.000
local terms energy: -25.843059
where:
bonds (distance) C4'-P energy: -4.686
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -3.056
flat angles P-C4'-P energy: -4.522
tors. eta vs tors. theta energy: -6.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -45.616095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.616095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.616095 (E_RNA)
where:
Base-Base interactions energy: -20.650
where: short stacking energy: -20.650
Base-Backbone interact. energy: -0.000
local terms energy: -24.966316
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -3.301
flat angles C4'-P-C4' energy: -5.222
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -5.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -44.476494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.476494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.476494 (E_RNA)
where:
Base-Base interactions energy: -19.869
where: short stacking energy: -19.869
Base-Backbone interact. energy: -0.000
local terms energy: -24.607390
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -4.407
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: -5.208
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: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -41.845007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.845007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.845007 (E_RNA)
where:
Base-Base interactions energy: -19.696
where: short stacking energy: -19.696
Base-Backbone interact. energy: -0.000
local terms energy: -22.148552
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -4.649
flat angles C4'-P-C4' energy: -3.560
flat angles P-C4'-P energy: -4.042
tors. eta vs tors. theta energy: -4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -42.596749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.596749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.596749 (E_RNA)
where:
Base-Base interactions energy: -20.359
where: short stacking energy: -20.359
Base-Backbone interact. energy: -0.000
local terms energy: -22.237798
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -4.647
flat angles C4'-P-C4' energy: -2.484
flat angles P-C4'-P energy: -4.798
tors. eta vs tors. theta energy: -4.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -42.999697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.999697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.999697 (E_RNA)
where:
Base-Base interactions energy: -15.486
where: short stacking energy: -15.486
Base-Backbone interact. energy: -0.000
local terms energy: -27.513969
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.539
flat angles P-C4'-P energy: -3.437
tors. eta vs tors. theta energy: -4.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -38.491965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.491965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.491965 (E_RNA)
where:
Base-Base interactions energy: -16.650
where: short stacking energy: -16.650
Base-Backbone interact. energy: -0.011
local terms energy: -21.830075
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -6.432
flat angles P-C4'-P energy: -3.031
tors. eta vs tors. theta energy: -0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -31.698716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.698716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.698716 (E_RNA)
where:
Base-Base interactions energy: -10.181
where: short stacking energy: -10.181
Base-Backbone interact. energy: -0.000
local terms energy: -21.517398
where:
bonds (distance) C4'-P energy: -4.727
bonds (distance) P-C4' energy: -4.172
flat angles C4'-P-C4' energy: -5.920
flat angles P-C4'-P energy: -4.705
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: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -32.738006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.738006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.738006 (E_RNA)
where:
Base-Base interactions energy: -14.927
where: short stacking energy: -12.171
Base-Backbone interact. energy: -0.007
local terms energy: -17.803653
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -2.779
flat angles C4'-P-C4' energy: -3.806
flat angles P-C4'-P energy: -4.466
tors. eta vs tors. theta energy: -1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -49.505975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.505975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.505975 (E_RNA)
where:
Base-Base interactions energy: -21.075
where: short stacking energy: -21.075
Base-Backbone interact. energy: -0.000
local terms energy: -28.431193
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -6.052
flat angles P-C4'-P energy: -4.553
tors. eta vs tors. theta energy: -5.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -42.880334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.880334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.880334 (E_RNA)
where:
Base-Base interactions energy: -16.146
where: short stacking energy: -16.146
Base-Backbone interact. energy: -0.003
local terms energy: -26.730845
where:
bonds (distance) C4'-P energy: -5.650
bonds (distance) P-C4' energy: -6.118
flat angles C4'-P-C4' energy: -5.426
flat angles P-C4'-P energy: -4.346
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: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -52.811066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.811066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.811066 (E_RNA)
where:
Base-Base interactions energy: -26.404
where: short stacking energy: -26.404
Base-Backbone interact. energy: -0.000
local terms energy: -26.407028
where:
bonds (distance) C4'-P energy: -4.913
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.577
flat angles P-C4'-P energy: -2.230
tors. eta vs tors. theta energy: -7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -38.686150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.686150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.686150 (E_RNA)
where:
Base-Base interactions energy: -13.219
where: short stacking energy: -13.219
Base-Backbone interact. energy: -0.095
local terms energy: -25.372371
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -5.783
flat angles P-C4'-P energy: -3.539
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: 5, replica: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -39.400053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.400053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.400053 (E_RNA)
where:
Base-Base interactions energy: -14.508
where: short stacking energy: -14.508
Base-Backbone interact. energy: -0.000
local terms energy: -24.892090
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.653
flat angles C4'-P-C4' energy: -4.534
flat angles P-C4'-P energy: -4.915
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: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -39.390681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.390681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.390681 (E_RNA)
where:
Base-Base interactions energy: -16.284
where: short stacking energy: -16.284
Base-Backbone interact. energy: -0.002
local terms energy: -23.105274
where:
bonds (distance) C4'-P energy: -4.523
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -5.047
flat angles P-C4'-P energy: -2.342
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -38.132053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.132053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.132053 (E_RNA)
where:
Base-Base interactions energy: -12.238
where: short stacking energy: -12.238
Base-Backbone interact. energy: -0.000
local terms energy: -25.893816
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -5.763
flat angles C4'-P-C4' energy: -5.766
flat angles P-C4'-P energy: -4.564
tors. eta vs tors. theta energy: -4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -42.167551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.167551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.167551 (E_RNA)
where:
Base-Base interactions energy: -17.019
where: short stacking energy: -17.019
Base-Backbone interact. energy: -0.000
local terms energy: -25.148776
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -3.972
flat angles C4'-P-C4' energy: -6.573
flat angles P-C4'-P energy: -3.087
tors. eta vs tors. theta energy: -5.812
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: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -34.182300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.182300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.182300 (E_RNA)
where:
Base-Base interactions energy: -16.358
where: short stacking energy: -12.081
Base-Backbone interact. energy: -0.089
local terms energy: -17.735768
where:
bonds (distance) C4'-P energy: -3.225
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -4.866
flat angles P-C4'-P energy: -2.024
tors. eta vs tors. theta energy: -1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -35.326771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.326771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.326771 (E_RNA)
where:
Base-Base interactions energy: -16.242
where: short stacking energy: -16.242
Base-Backbone interact. energy: -0.002
local terms energy: -19.082540
where:
bonds (distance) C4'-P energy: -4.068
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -2.596
flat angles P-C4'-P energy: -4.223
tors. eta vs tors. theta energy: -2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -48.842767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.842767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.842767 (E_RNA)
where:
Base-Base interactions energy: -23.626
where: short stacking energy: -23.626
Base-Backbone interact. energy: -0.000
local terms energy: -25.216432
where:
bonds (distance) C4'-P energy: -4.789
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -4.901
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: -5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -50.636892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.636892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.636892 (E_RNA)
where:
Base-Base interactions energy: -25.241
where: short stacking energy: -25.241
Base-Backbone interact. energy: -0.000
local terms energy: -25.395488
where:
bonds (distance) C4'-P energy: -3.643
bonds (distance) P-C4' energy: -6.628
flat angles C4'-P-C4' energy: -6.026
flat angles P-C4'-P energy: -2.414
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -44.429776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.429776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.429776 (E_RNA)
where:
Base-Base interactions energy: -15.248
where: short stacking energy: -15.248
Base-Backbone interact. energy: -0.017
local terms energy: -29.165223
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.315
flat angles P-C4'-P energy: -5.044
tors. eta vs tors. theta energy: -5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -46.041976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.041976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.041976 (E_RNA)
where:
Base-Base interactions energy: -21.878
where: short stacking energy: -19.572
Base-Backbone interact. energy: -0.000
local terms energy: -24.163662
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -4.280
flat angles C4'-P-C4' energy: -4.617
flat angles P-C4'-P energy: -2.741
tors. eta vs tors. theta energy: -6.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -43.540683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.540683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.540683 (E_RNA)
where:
Base-Base interactions energy: -19.308
where: short stacking energy: -19.308
Base-Backbone interact. energy: -0.001
local terms energy: -24.231164
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.060
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: -2.954
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: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -38.942465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.942465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.942465 (E_RNA)
where:
Base-Base interactions energy: -17.530
where: short stacking energy: -17.530
Base-Backbone interact. energy: -0.077
local terms energy: -21.335208
where:
bonds (distance) C4'-P energy: -4.980
bonds (distance) P-C4' energy: -4.917
flat angles C4'-P-C4' energy: -5.195
flat angles P-C4'-P energy: -3.811
tors. eta vs tors. theta energy: -2.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -44.293533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.293533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.293533 (E_RNA)
where:
Base-Base interactions energy: -23.885
where: short stacking energy: -9.876
Base-Backbone interact. energy: -0.051
local terms energy: -20.357278
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -5.606
flat angles C4'-P-C4' energy: -4.382
flat angles P-C4'-P energy: -1.929
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: 8, replica: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -40.143809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.143809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.143809 (E_RNA)
where:
Base-Base interactions energy: -17.404
where: short stacking energy: -17.404
Base-Backbone interact. energy: -0.000
local terms energy: -22.739519
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -5.330
flat angles P-C4'-P energy: -2.104
tors. eta vs tors. theta energy: -3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -35.118874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.118874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.118874 (E_RNA)
where:
Base-Base interactions energy: -11.970
where: short stacking energy: -11.970
Base-Backbone interact. energy: -0.017
local terms energy: -23.132482
where:
bonds (distance) C4'-P energy: -3.712
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -6.121
flat angles P-C4'-P energy: -4.897
tors. eta vs tors. theta energy: -2.417
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: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -31.362280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.362280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.362280 (E_RNA)
where:
Base-Base interactions energy: -17.015
where: short stacking energy: -8.917
Base-Backbone interact. energy: -0.002
local terms energy: -14.345245
where:
bonds (distance) C4'-P energy: -4.371
bonds (distance) P-C4' energy: -3.317
flat angles C4'-P-C4' energy: -4.449
flat angles P-C4'-P energy: -0.460
tors. eta vs tors. theta energy: -1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -42.620061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.620061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.620061 (E_RNA)
where:
Base-Base interactions energy: -21.493
where: short stacking energy: -21.493
Base-Backbone interact. energy: -0.000
local terms energy: -21.126565
where:
bonds (distance) C4'-P energy: -1.886
bonds (distance) P-C4' energy: -4.420
flat angles C4'-P-C4' energy: -6.420
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -4.365
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: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -48.062056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.062056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.062056 (E_RNA)
where:
Base-Base interactions energy: -22.153
where: short stacking energy: -22.153
Base-Backbone interact. energy: -0.000
local terms energy: -25.908994
where:
bonds (distance) C4'-P energy: -5.651
bonds (distance) P-C4' energy: -5.251
flat angles C4'-P-C4' energy: -6.395
flat angles P-C4'-P energy: -1.251
tors. eta vs tors. theta energy: -7.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -50.025975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.025975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.025975 (E_RNA)
where:
Base-Base interactions energy: -21.332
where: short stacking energy: -21.332
Base-Backbone interact. energy: -0.003
local terms energy: -28.690772
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -6.226
flat angles P-C4'-P energy: -4.161
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -38.613151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.613151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.613151 (E_RNA)
where:
Base-Base interactions energy: -16.607
where: short stacking energy: -16.607
Base-Backbone interact. energy: -0.000
local terms energy: -22.006063
where:
bonds (distance) C4'-P energy: -3.981
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.064
flat angles P-C4'-P energy: -3.101
tors. eta vs tors. theta energy: -2.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -44.156196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.156196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.156196 (E_RNA)
where:
Base-Base interactions energy: -20.554
where: short stacking energy: -20.554
Base-Backbone interact. energy: -0.000
local terms energy: -23.601982
where:
bonds (distance) C4'-P energy: -4.523
bonds (distance) P-C4' energy: -3.747
flat angles C4'-P-C4' energy: -4.918
flat angles P-C4'-P energy: -4.085
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: 6, replica: 1
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -34.171422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.171422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.171422 (E_RNA)
where:
Base-Base interactions energy: -9.819
where: short stacking energy: -9.819
Base-Backbone interact. energy: 0.579
local terms energy: -24.930855
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.818
flat angles P-C4'-P energy: -4.134
tors. eta vs tors. theta energy: -1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -41.441519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.441519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.441519 (E_RNA)
where:
Base-Base interactions energy: -20.657
where: short stacking energy: -20.657
Base-Backbone interact. energy: -0.014
local terms energy: -20.770645
where:
bonds (distance) C4'-P energy: -4.694
bonds (distance) P-C4' energy: -4.199
flat angles C4'-P-C4' energy: -5.464
flat angles P-C4'-P energy: -1.744
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -33.065575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.065575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.065575 (E_RNA)
where:
Base-Base interactions energy: -11.726
where: short stacking energy: -11.726
Base-Backbone interact. energy: -0.017
local terms energy: -21.323287
where:
bonds (distance) C4'-P energy: -4.523
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -5.227
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -2.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -40.717846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.717846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.717846 (E_RNA)
where:
Base-Base interactions energy: -15.081
where: short stacking energy: -15.081
Base-Backbone interact. energy: -0.000
local terms energy: -25.637031
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -4.085
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -31.786498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.786498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.786498 (E_RNA)
where:
Base-Base interactions energy: -12.327
where: short stacking energy: -12.327
Base-Backbone interact. energy: -0.000
local terms energy: -19.459199
where:
bonds (distance) C4'-P energy: -4.727
bonds (distance) P-C4' energy: -5.889
flat angles C4'-P-C4' energy: -2.949
flat angles P-C4'-P energy: -4.300
tors. eta vs tors. theta energy: -1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -53.702426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.702426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.702426 (E_RNA)
where:
Base-Base interactions energy: -30.763
where: short stacking energy: -15.329
Base-Backbone interact. energy: -0.001
local terms energy: -22.939067
where:
bonds (distance) C4'-P energy: -4.392
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.818
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: -2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -47.659789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.659789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.659789 (E_RNA)
where:
Base-Base interactions energy: -20.733
where: short stacking energy: -20.733
Base-Backbone interact. energy: -0.000
local terms energy: -26.926277
where:
bonds (distance) C4'-P energy: -5.145
bonds (distance) P-C4' energy: -5.660
flat angles C4'-P-C4' energy: -4.871
flat angles P-C4'-P energy: -4.293
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: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -49.177776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.177776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.177776 (E_RNA)
where:
Base-Base interactions energy: -20.360
where: short stacking energy: -20.360
Base-Backbone interact. energy: -0.000
local terms energy: -28.818188
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.460
flat angles C4'-P-C4' energy: -5.942
flat angles P-C4'-P energy: -4.213
tors. eta vs tors. theta energy: -5.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -50.050418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.050418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.050418 (E_RNA)
where:
Base-Base interactions energy: -22.645
where: short stacking energy: -22.645
Base-Backbone interact. energy: -0.000
local terms energy: -27.405038
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.292
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -5.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -45.199386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.199386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.199386 (E_RNA)
where:
Base-Base interactions energy: -22.638
where: short stacking energy: -7.744
Base-Backbone interact. energy: -0.016
local terms energy: -22.545738
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.635
flat angles P-C4'-P energy: -3.246
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -34.077884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.077884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.077884 (E_RNA)
where:
Base-Base interactions energy: -12.572
where: short stacking energy: -9.461
Base-Backbone interact. energy: -0.009
local terms energy: -21.496765
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.870
flat angles P-C4'-P energy: -4.610
tors. eta vs tors. theta energy: 1.967
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: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -36.933553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.933553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.933553 (E_RNA)
where:
Base-Base interactions energy: -15.115
where: short stacking energy: -11.202
Base-Backbone interact. energy: 0.378
local terms energy: -22.196287
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.889
flat angles C4'-P-C4' energy: -4.952
flat angles P-C4'-P energy: -1.785
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -35.480840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.480840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.480840 (E_RNA)
where:
Base-Base interactions energy: -13.527
where: short stacking energy: -13.527
Base-Backbone interact. energy: -0.000
local terms energy: -21.953776
where:
bonds (distance) C4'-P energy: -3.936
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -5.694
flat angles P-C4'-P energy: -4.492
tors. eta vs tors. theta energy: -1.876
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: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -38.946382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.946382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.946382 (E_RNA)
where:
Base-Base interactions energy: -19.439
where: short stacking energy: -9.639
Base-Backbone interact. energy: -0.000
local terms energy: -19.507238
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -3.824
flat angles P-C4'-P energy: -4.629
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: 10, replica: 5
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -32.263559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.263559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.263559 (E_RNA)
where:
Base-Base interactions energy: -14.517
where: short stacking energy: -10.395
Base-Backbone interact. energy: -0.001
local terms energy: -17.745631
where:
bonds (distance) C4'-P energy: -3.493
bonds (distance) P-C4' energy: -4.293
flat angles C4'-P-C4' energy: -4.014
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -1.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -52.820322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.820322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.820322 (E_RNA)
where:
Base-Base interactions energy: -33.274
where: short stacking energy: -18.567
Base-Backbone interact. energy: -0.001
local terms energy: -19.545560
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.209
flat angles P-C4'-P energy: -3.280
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -42.053552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.053552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.053552 (E_RNA)
where:
Base-Base interactions energy: -19.156
where: short stacking energy: -19.156
Base-Backbone interact. energy: -0.000
local terms energy: -22.897171
where:
bonds (distance) C4'-P energy: -4.624
bonds (distance) P-C4' energy: -5.569
flat angles C4'-P-C4' energy: -5.080
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -3.294
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: 3, replica: 3
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -44.904944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.904944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.904944 (E_RNA)
where:
Base-Base interactions energy: -20.553
where: short stacking energy: -20.553
Base-Backbone interact. energy: -0.001
local terms energy: -24.350829
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -3.084
flat angles P-C4'-P energy: -4.969
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: 4, replica: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -42.296511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.296511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.296511 (E_RNA)
where:
Base-Base interactions energy: -19.261
where: short stacking energy: -13.535
Base-Backbone interact. energy: -0.006
local terms energy: -23.029258
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.382
flat angles P-C4'-P energy: -3.719
tors. eta vs tors. theta energy: -1.221
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: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -42.508438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.508438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.508438 (E_RNA)
where:
Base-Base interactions energy: -19.149
where: short stacking energy: -19.149
Base-Backbone interact. energy: -0.000
local terms energy: -23.359176
where:
bonds (distance) C4'-P energy: -2.297
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.320
flat angles P-C4'-P energy: -3.908
tors. eta vs tors. theta energy: -5.618
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: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -34.028541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.028541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.028541 (E_RNA)
where:
Base-Base interactions energy: -13.136
where: short stacking energy: -13.136
Base-Backbone interact. energy: -0.001
local terms energy: -20.892147
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -5.435
flat angles C4'-P-C4' energy: -4.180
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -0.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -39.700447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.700447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.700447 (E_RNA)
where:
Base-Base interactions energy: -19.846
where: short stacking energy: -19.846
Base-Backbone interact. energy: -0.100
local terms energy: -19.754897
where:
bonds (distance) C4'-P energy: -2.024
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -3.332
flat angles P-C4'-P energy: -3.198
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: 8, replica: 2
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -39.516388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.516388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.516388 (E_RNA)
where:
Base-Base interactions energy: -16.467
where: short stacking energy: -16.467
Base-Backbone interact. energy: -0.000
local terms energy: -23.049753
where:
bonds (distance) C4'-P energy: -4.748
bonds (distance) P-C4' energy: -4.681
flat angles C4'-P-C4' energy: -5.395
flat angles P-C4'-P energy: -3.779
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: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -36.633742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.633742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.633742 (E_RNA)
where:
Base-Base interactions energy: -15.805
where: short stacking energy: -8.076
Base-Backbone interact. energy: -0.036
local terms energy: -20.792338
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -5.458
flat angles P-C4'-P energy: -2.108
tors. eta vs tors. theta energy: -1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -32.407808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.407808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.407808 (E_RNA)
where:
Base-Base interactions energy: -14.276
where: short stacking energy: -4.180
Base-Backbone interact. energy: -0.050
local terms energy: -18.081913
where:
bonds (distance) C4'-P energy: -4.285
bonds (distance) P-C4' energy: -5.995
flat angles C4'-P-C4' energy: -5.588
flat angles P-C4'-P energy: -3.821
tors. eta vs tors. theta energy: 1.606
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: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -46.012493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.012493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.012493 (E_RNA)
where:
Base-Base interactions energy: -25.082
where: short stacking energy: -14.036
Base-Backbone interact. energy: -0.018
local terms energy: -20.912106
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.705
flat angles C4'-P-C4' energy: -4.082
flat angles P-C4'-P energy: -1.230
tors. eta vs tors. theta energy: -4.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -45.315010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.315010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.315010 (E_RNA)
where:
Base-Base interactions energy: -20.602
where: short stacking energy: -20.602
Base-Backbone interact. energy: -0.000
local terms energy: -24.712869
where:
bonds (distance) C4'-P energy: -2.732
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.450
flat angles P-C4'-P energy: -5.100
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: 3, replica: 8
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -47.946346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.946346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.946346 (E_RNA)
where:
Base-Base interactions energy: -18.439
where: short stacking energy: -18.439
Base-Backbone interact. energy: -0.000
local terms energy: -29.506834
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -5.794
flat angles P-C4'-P energy: -4.138
tors. eta vs tors. theta energy: -7.910
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: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -41.485742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.485742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.485742 (E_RNA)
where:
Base-Base interactions energy: -16.601
where: short stacking energy: -16.601
Base-Backbone interact. energy: -0.001
local terms energy: -24.884431
where:
bonds (distance) C4'-P energy: -4.647
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -4.880
flat angles P-C4'-P energy: -3.419
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -46.282413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.282413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.282413 (E_RNA)
where:
Base-Base interactions energy: -18.936
where: short stacking energy: -18.936
Base-Backbone interact. energy: -0.000
local terms energy: -27.346560
where:
bonds (distance) C4'-P energy: -6.023
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.019
flat angles P-C4'-P energy: -3.025
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -39.323598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.323598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.323598 (E_RNA)
where:
Base-Base interactions energy: -13.747
where: short stacking energy: -13.747
Base-Backbone interact. energy: -0.018
local terms energy: -25.557984
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -5.301
flat angles C4'-P-C4' energy: -5.785
flat angles P-C4'-P energy: -5.119
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: 7, replica: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -37.154510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.154510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.154510 (E_RNA)
where:
Base-Base interactions energy: -16.725
where: short stacking energy: -16.725
Base-Backbone interact. energy: -0.000
local terms energy: -20.429585
where:
bonds (distance) C4'-P energy: -3.518
bonds (distance) P-C4' energy: -5.566
flat angles C4'-P-C4' energy: -3.658
flat angles P-C4'-P energy: -3.524
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -33.253948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.253948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.253948 (E_RNA)
where:
Base-Base interactions energy: -11.886
where: short stacking energy: -11.886
Base-Backbone interact. energy: -0.004
local terms energy: -21.364030
where:
bonds (distance) C4'-P energy: -2.658
bonds (distance) P-C4' energy: -6.104
flat angles C4'-P-C4' energy: -5.852
flat angles P-C4'-P energy: -3.999
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -35.920992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.920992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.920992 (E_RNA)
where:
Base-Base interactions energy: -16.830
where: short stacking energy: -11.478
Base-Backbone interact. energy: -0.049
local terms energy: -19.042427
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.050
flat angles P-C4'-P energy: -1.821
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: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -33.570581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.570581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.570581 (E_RNA)
where:
Base-Base interactions energy: -11.051
where: short stacking energy: -11.051
Base-Backbone interact. energy: -0.000
local terms energy: -22.519169
where:
bonds (distance) C4'-P energy: -5.729
bonds (distance) P-C4' energy: -5.308
flat angles C4'-P-C4' energy: -5.115
flat angles P-C4'-P energy: -3.490
tors. eta vs tors. theta energy: -2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -53.393376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.393376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.393376 (E_RNA)
where:
Base-Base interactions energy: -25.370
where: short stacking energy: -25.370
Base-Backbone interact. energy: -0.000
local terms energy: -28.022997
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -5.769
flat angles P-C4'-P energy: -3.329
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -41.251260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.251260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.251260 (E_RNA)
where:
Base-Base interactions energy: -20.787
where: short stacking energy: -16.955
Base-Backbone interact. energy: -0.011
local terms energy: -20.453296
where:
bonds (distance) C4'-P energy: -3.618
bonds (distance) P-C4' energy: -5.576
flat angles C4'-P-C4' energy: -3.781
flat angles P-C4'-P energy: -3.676
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -41.394173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.394173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.394173 (E_RNA)
where:
Base-Base interactions energy: -18.206
where: short stacking energy: -18.206
Base-Backbone interact. energy: -0.000
local terms energy: -23.188321
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -5.699
flat angles C4'-P-C4' energy: -4.909
flat angles P-C4'-P energy: -2.208
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: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -46.742894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.742894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.742894 (E_RNA)
where:
Base-Base interactions energy: -18.000
where: short stacking energy: -18.000
Base-Backbone interact. energy: -0.000
local terms energy: -28.743191
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -5.568
flat angles P-C4'-P energy: -3.837
tors. eta vs tors. theta energy: -7.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -46.221079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.221079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.221079 (E_RNA)
where:
Base-Base interactions energy: -18.030
where: short stacking energy: -18.030
Base-Backbone interact. energy: -0.000
local terms energy: -28.191260
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -5.887
flat angles P-C4'-P energy: -4.369
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -34.292255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.292255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.292255 (E_RNA)
where:
Base-Base interactions energy: -11.553
where: short stacking energy: -11.553
Base-Backbone interact. energy: -0.068
local terms energy: -22.670911
where:
bonds (distance) C4'-P energy: -4.242
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.032
flat angles P-C4'-P energy: -3.748
tors. eta vs tors. theta energy: -3.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -31.006484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.006484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.006484 (E_RNA)
where:
Base-Base interactions energy: -12.567
where: short stacking energy: -12.567
Base-Backbone interact. energy: -0.063
local terms energy: -18.376794
where:
bonds (distance) C4'-P energy: -5.729
bonds (distance) P-C4' energy: -6.202
flat angles C4'-P-C4' energy: -2.964
flat angles P-C4'-P energy: -1.697
tors. eta vs tors. theta energy: -1.785
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: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -35.874891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.874891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.874891 (E_RNA)
where:
Base-Base interactions energy: -12.011
where: short stacking energy: -12.011
Base-Backbone interact. energy: -0.009
local terms energy: -23.855348
where:
bonds (distance) C4'-P energy: -4.682
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.411
flat angles P-C4'-P energy: -4.566
tors. eta vs tors. theta energy: -2.300
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: 1
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -39.858842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.858842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.858842 (E_RNA)
where:
Base-Base interactions energy: -25.856
where: short stacking energy: -8.235
Base-Backbone interact. energy: -1.432
local terms energy: -12.570398
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -5.674
flat angles C4'-P-C4' energy: -1.573
flat angles P-C4'-P energy: -1.334
tors. eta vs tors. theta energy: 1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -32.043371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.043371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.043371 (E_RNA)
where:
Base-Base interactions energy: -12.802
where: short stacking energy: -12.802
Base-Backbone interact. energy: -0.017
local terms energy: -19.224060
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -6.132
flat angles C4'-P-C4' energy: -3.469
flat angles P-C4'-P energy: -2.108
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -43.686837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.686837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.686837 (E_RNA)
where:
Base-Base interactions energy: -18.853
where: short stacking energy: -18.853
Base-Backbone interact. energy: -0.004
local terms energy: -24.830758
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -5.956
flat angles P-C4'-P energy: -4.994
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -42.725724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.725724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.725724 (E_RNA)
where:
Base-Base interactions energy: -19.563
where: short stacking energy: -19.563
Base-Backbone interact. energy: -0.000
local terms energy: -23.162624
where:
bonds (distance) C4'-P energy: -4.516
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -6.854
flat angles P-C4'-P energy: 0.526
tors. eta vs tors. theta energy: -6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -41.089496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.089496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.089496 (E_RNA)
where:
Base-Base interactions energy: -17.569
where: short stacking energy: -17.569
Base-Backbone interact. energy: -0.001
local terms energy: -23.518968
where:
bonds (distance) C4'-P energy: -4.425
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.840
flat angles P-C4'-P energy: -3.632
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: 4, replica: 9
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -39.165228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.165228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.165228 (E_RNA)
where:
Base-Base interactions energy: -13.663
where: short stacking energy: -13.663
Base-Backbone interact. energy: -0.000
local terms energy: -25.501912
where:
bonds (distance) C4'-P energy: -5.253
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -6.092
flat angles P-C4'-P energy: -3.628
tors. eta vs tors. theta energy: -3.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -42.751910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.751910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.751910 (E_RNA)
where:
Base-Base interactions energy: -18.439
where: short stacking energy: -18.439
Base-Backbone interact. energy: -0.000
local terms energy: -24.312633
where:
bonds (distance) C4'-P energy: -2.749
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.614
flat angles P-C4'-P energy: -4.123
tors. eta vs tors. theta energy: -4.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -33.745874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.745874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.745874 (E_RNA)
where:
Base-Base interactions energy: -14.966
where: short stacking energy: -14.966
Base-Backbone interact. energy: -0.082
local terms energy: -18.698703
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -3.760
flat angles P-C4'-P energy: -0.685
tors. eta vs tors. theta energy: -2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -37.724082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.724082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.724082 (E_RNA)
where:
Base-Base interactions energy: -14.897
where: short stacking energy: -14.897
Base-Backbone interact. energy: -0.091
local terms energy: -22.736312
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -5.658
flat angles P-C4'-P energy: -3.986
tors. eta vs tors. theta energy: -0.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -31.528023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.528023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.528023 (E_RNA)
where:
Base-Base interactions energy: -13.656
where: short stacking energy: -13.656
Base-Backbone interact. energy: -0.010
local terms energy: -17.861996
where:
bonds (distance) C4'-P energy: -1.626
bonds (distance) P-C4' energy: -5.668
flat angles C4'-P-C4' energy: -5.554
flat angles P-C4'-P energy: -3.162
tors. eta vs tors. theta energy: -1.852
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: 9, replica: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -30.096894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.096894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.096894 (E_RNA)
where:
Base-Base interactions energy: -12.209
where: short stacking energy: -12.209
Base-Backbone interact. energy: -0.022
local terms energy: -17.866433
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -4.758
flat angles C4'-P-C4' energy: -3.524
flat angles P-C4'-P energy: -4.018
tors. eta vs tors. theta energy: -0.483
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: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -33.372626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.372626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.372626 (E_RNA)
where:
Base-Base interactions energy: -10.632
where: short stacking energy: -10.632
Base-Backbone interact. energy: -0.040
local terms energy: -22.701602
where:
bonds (distance) C4'-P energy: -3.514
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.086
flat angles P-C4'-P energy: -4.227
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: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -54.071611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.071611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.071611 (E_RNA)
where:
Base-Base interactions energy: -27.756
where: short stacking energy: -19.391
Base-Backbone interact. energy: -0.167
local terms energy: -26.148971
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -6.418
flat angles P-C4'-P energy: -4.434
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: 2, replica: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -47.583982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.583982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.583982 (E_RNA)
where:
Base-Base interactions energy: -20.666
where: short stacking energy: -17.497
Base-Backbone interact. energy: -0.000
local terms energy: -26.918317
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -6.454
flat angles P-C4'-P energy: -4.156
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -46.509462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.509462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.509462 (E_RNA)
where:
Base-Base interactions energy: -20.508
where: short stacking energy: -20.508
Base-Backbone interact. energy: -0.000
local terms energy: -26.001305
where:
bonds (distance) C4'-P energy: -2.902
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.608
flat angles P-C4'-P energy: -4.823
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: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -47.804775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.804775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.804775 (E_RNA)
where:
Base-Base interactions energy: -28.435
where: short stacking energy: -10.489
Base-Backbone interact. energy: -0.088
local terms energy: -19.281917
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -4.877
flat angles C4'-P-C4' energy: -4.529
flat angles P-C4'-P energy: -3.045
tors. eta vs tors. theta energy: -1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -49.870751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.870751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.870751 (E_RNA)
where:
Base-Base interactions energy: -23.752
where: short stacking energy: -23.752
Base-Backbone interact. energy: -0.000
local terms energy: -26.118667
where:
bonds (distance) C4'-P energy: -5.306
bonds (distance) P-C4' energy: -5.628
flat angles C4'-P-C4' energy: -5.614
flat angles P-C4'-P energy: -3.528
tors. eta vs tors. theta energy: -6.043
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: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -37.581491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.581491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.581491 (E_RNA)
where:
Base-Base interactions energy: -14.986
where: short stacking energy: -14.986
Base-Backbone interact. energy: -0.018
local terms energy: -22.577506
where:
bonds (distance) C4'-P energy: -4.177
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -6.409
flat angles P-C4'-P energy: -3.316
tors. eta vs tors. theta energy: -2.011
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: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -37.353567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.353567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.353567 (E_RNA)
where:
Base-Base interactions energy: -14.117
where: short stacking energy: -14.117
Base-Backbone interact. energy: -0.016
local terms energy: -23.220128
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.336
flat angles C4'-P-C4' energy: -5.625
flat angles P-C4'-P energy: -3.292
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -37.204453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.204453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.204453 (E_RNA)
where:
Base-Base interactions energy: -11.865
where: short stacking energy: -11.865
Base-Backbone interact. energy: -0.000
local terms energy: -25.339486
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -4.961
flat angles P-C4'-P energy: -3.205
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -40.212355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.212355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.212355 (E_RNA)
where:
Base-Base interactions energy: -14.886
where: short stacking energy: -14.886
Base-Backbone interact. energy: -0.000
local terms energy: -25.326020
where:
bonds (distance) C4'-P energy: -1.405
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -6.376
flat angles P-C4'-P energy: -4.489
tors. eta vs tors. theta energy: -6.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -35.646813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.646813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.646813 (E_RNA)
where:
Base-Base interactions energy: -18.109
where: short stacking energy: -18.109
Base-Backbone interact. energy: -0.000
local terms energy: -17.536942
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -4.960
flat angles C4'-P-C4' energy: -2.865
flat angles P-C4'-P energy: 0.905
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: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -54.024551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.024551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.024551 (E_RNA)
where:
Base-Base interactions energy: -33.569
where: short stacking energy: -18.864
Base-Backbone interact. energy: -0.091
local terms energy: -20.364878
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -4.257
flat angles P-C4'-P energy: -3.803
tors. eta vs tors. theta energy: -1.552
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: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -54.294176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.294176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.294176 (E_RNA)
where:
Base-Base interactions energy: -33.425
where: short stacking energy: -19.297
Base-Backbone interact. energy: -0.006
local terms energy: -20.862475
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -4.760
flat angles P-C4'-P energy: -3.469
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -39.538112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.538112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.538112 (E_RNA)
where:
Base-Base interactions energy: -15.072
where: short stacking energy: -15.072
Base-Backbone interact. energy: -0.000
local terms energy: -24.466380
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.631
flat angles C4'-P-C4' energy: -4.400
flat angles P-C4'-P energy: -3.460
tors. eta vs tors. theta energy: -4.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -48.517533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.517533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.517533 (E_RNA)
where:
Base-Base interactions energy: -21.347
where: short stacking energy: -21.347
Base-Backbone interact. energy: -0.000
local terms energy: -27.170483
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -3.106
flat angles C4'-P-C4' energy: -5.604
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -6.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -36.994833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.994833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.994833 (E_RNA)
where:
Base-Base interactions energy: -15.802
where: short stacking energy: -15.590
Base-Backbone interact. energy: -0.051
local terms energy: -21.141729
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.307
flat angles P-C4'-P energy: -4.184
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -38.653049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.653049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.653049 (E_RNA)
where:
Base-Base interactions energy: -15.509
where: short stacking energy: -15.509
Base-Backbone interact. energy: -0.000
local terms energy: -23.144505
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.224
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: -2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -33.231278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.231278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.231278 (E_RNA)
where:
Base-Base interactions energy: -11.742
where: short stacking energy: -7.963
Base-Backbone interact. energy: -0.036
local terms energy: -21.453179
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.726
flat angles P-C4'-P energy: -2.359
tors. eta vs tors. theta energy: -2.158
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: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -44.154650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.154650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.154650 (E_RNA)
where:
Base-Base interactions energy: -15.137
where: short stacking energy: -15.137
Base-Backbone interact. energy: -0.000
local terms energy: -29.017537
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.113
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -6.820
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: 270
Temperature: 1.300000
Total energy: -35.042332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.042332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.042332 (E_RNA)
where:
Base-Base interactions energy: -13.041
where: short stacking energy: -13.041
Base-Backbone interact. energy: 0.008
local terms energy: -22.009773
where:
bonds (distance) C4'-P energy: -5.286
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.018
flat angles P-C4'-P energy: -2.776
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -32.345137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.345137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.345137 (E_RNA)
where:
Base-Base interactions energy: -12.492
where: short stacking energy: -12.492
Base-Backbone interact. energy: -0.040
local terms energy: -19.813005
where:
bonds (distance) C4'-P energy: -4.508
bonds (distance) P-C4' energy: -7.147
flat angles C4'-P-C4' energy: -4.870
flat angles P-C4'-P energy: -1.463
tors. eta vs tors. theta energy: -1.826
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: 271
Temperature: 0.900000
Total energy: -56.688507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.688507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.688507 (E_RNA)
where:
Base-Base interactions energy: -30.868
where: short stacking energy: -19.880
Base-Backbone interact. energy: -0.685
local terms energy: -25.136025
where:
bonds (distance) C4'-P energy: -5.125
bonds (distance) P-C4' energy: -5.931
flat angles C4'-P-C4' energy: -6.342
flat angles P-C4'-P energy: -4.296
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: 2, replica: 3
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -44.375829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.375829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.375829 (E_RNA)
where:
Base-Base interactions energy: -21.727
where: short stacking energy: -13.186
Base-Backbone interact. energy: -0.006
local terms energy: -22.643024
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -6.453
flat angles P-C4'-P energy: -2.132
tors. eta vs tors. theta energy: -1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -48.223180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.223180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.223180 (E_RNA)
where:
Base-Base interactions energy: -22.717
where: short stacking energy: -22.717
Base-Backbone interact. energy: -0.000
local terms energy: -25.506364
where:
bonds (distance) C4'-P energy: -5.891
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.196
flat angles P-C4'-P energy: -3.280
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: 4, replica: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -38.972593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.972593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.972593 (E_RNA)
where:
Base-Base interactions energy: -18.878
where: short stacking energy: -18.878
Base-Backbone interact. energy: -0.002
local terms energy: -20.091678
where:
bonds (distance) C4'-P energy: -5.071
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -1.846
flat angles P-C4'-P energy: -4.509
tors. eta vs tors. theta energy: -2.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -46.193055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.193055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.193055 (E_RNA)
where:
Base-Base interactions energy: -18.982
where: short stacking energy: -18.982
Base-Backbone interact. energy: -0.000
local terms energy: -27.211362
where:
bonds (distance) C4'-P energy: -4.735
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.099
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -4.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -41.093250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.093250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.093250 (E_RNA)
where:
Base-Base interactions energy: -19.323
where: short stacking energy: -19.323
Base-Backbone interact. energy: -0.009
local terms energy: -21.761647
where:
bonds (distance) C4'-P energy: -4.570
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -4.057
flat angles P-C4'-P energy: -2.639
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: 7, replica: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -41.740354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.740354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.740354 (E_RNA)
where:
Base-Base interactions energy: -19.429
where: short stacking energy: -19.429
Base-Backbone interact. energy: 0.315
local terms energy: -22.626296
where:
bonds (distance) C4'-P energy: -3.700
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -5.116
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -38.754344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.754344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.754344 (E_RNA)
where:
Base-Base interactions energy: -14.360
where: short stacking energy: -14.360
Base-Backbone interact. energy: -0.000
local terms energy: -24.394457
where:
bonds (distance) C4'-P energy: -6.362
bonds (distance) P-C4' energy: -5.346
flat angles C4'-P-C4' energy: -4.869
flat angles P-C4'-P energy: -3.122
tors. eta vs tors. theta energy: -4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -31.806871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.806871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.806871 (E_RNA)
where:
Base-Base interactions energy: -11.321
where: short stacking energy: -11.321
Base-Backbone interact. energy: -0.067
local terms energy: -20.419352
where:
bonds (distance) C4'-P energy: -3.994
bonds (distance) P-C4' energy: -5.678
flat angles C4'-P-C4' energy: -3.915
flat angles P-C4'-P energy: -3.890
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -34.260435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.260435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.260435 (E_RNA)
where:
Base-Base interactions energy: -13.056
where: short stacking energy: -13.056
Base-Backbone interact. energy: -0.009
local terms energy: -21.195844
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -5.435
flat angles C4'-P-C4' energy: -4.581
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: -1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -57.258849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.258849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.258849 (E_RNA)
where:
Base-Base interactions energy: -29.647
where: short stacking energy: -21.468
Base-Backbone interact. energy: -1.541
local terms energy: -26.070319
where:
bonds (distance) C4'-P energy: -3.638
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -6.143
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -4.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -46.149773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.149773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.149773 (E_RNA)
where:
Base-Base interactions energy: -18.243
where: short stacking energy: -18.243
Base-Backbone interact. energy: -0.000
local terms energy: -27.906339
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.877
flat angles P-C4'-P energy: -4.900
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -45.371823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.371823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.371823 (E_RNA)
where:
Base-Base interactions energy: -19.701
where: short stacking energy: -19.701
Base-Backbone interact. energy: -0.000
local terms energy: -25.670391
where:
bonds (distance) C4'-P energy: -5.286
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.677
flat angles P-C4'-P energy: -3.524
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -44.962563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.962563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.962563 (E_RNA)
where:
Base-Base interactions energy: -20.557
where: short stacking energy: -9.918
Base-Backbone interact. energy: -0.048
local terms energy: -24.357868
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.810
flat angles P-C4'-P energy: -1.709
tors. eta vs tors. theta energy: -3.689
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: 6
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -41.331560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.331560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.331560 (E_RNA)
where:
Base-Base interactions energy: -19.890
where: short stacking energy: -11.228
Base-Backbone interact. energy: -0.215
local terms energy: -21.227136
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -5.491
flat angles C4'-P-C4' energy: -5.002
flat angles P-C4'-P energy: -4.138
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -35.640608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.640608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.640608 (E_RNA)
where:
Base-Base interactions energy: -13.608
where: short stacking energy: -13.608
Base-Backbone interact. energy: -0.000
local terms energy: -22.032635
where:
bonds (distance) C4'-P energy: -4.504
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.904
flat angles P-C4'-P energy: -3.093
tors. eta vs tors. theta energy: -2.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -39.129405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.129405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.129405 (E_RNA)
where:
Base-Base interactions energy: -13.355
where: short stacking energy: -13.355
Base-Backbone interact. energy: -0.000
local terms energy: -25.773971
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -4.635
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: -3.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -38.275438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.275438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.275438 (E_RNA)
where:
Base-Base interactions energy: -17.082
where: short stacking energy: -17.082
Base-Backbone interact. energy: -0.001
local terms energy: -21.191795
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -3.143
flat angles P-C4'-P energy: -4.079
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -31.209008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.209008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.209008 (E_RNA)
where:
Base-Base interactions energy: -9.210
where: short stacking energy: -9.210
Base-Backbone interact. energy: -0.091
local terms energy: -21.908536
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -5.216
flat angles P-C4'-P energy: -3.587
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -34.504656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.504656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.504656 (E_RNA)
where:
Base-Base interactions energy: -16.448
where: short stacking energy: -7.994
Base-Backbone interact. energy: 0.005
local terms energy: -18.062195
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -4.230
flat angles C4'-P-C4' energy: -4.263
flat angles P-C4'-P energy: -4.388
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: 7
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -52.333716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.333716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.333716 (E_RNA)
where:
Base-Base interactions energy: -25.231
where: short stacking energy: -25.231
Base-Backbone interact. energy: -0.000
local terms energy: -27.103145
where:
bonds (distance) C4'-P energy: -4.980
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -4.046
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -48.778552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.778552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.778552 (E_RNA)
where:
Base-Base interactions energy: -21.934
where: short stacking energy: -21.934
Base-Backbone interact. energy: -0.000
local terms energy: -26.844306
where:
bonds (distance) C4'-P energy: -5.029
bonds (distance) P-C4' energy: -4.917
flat angles C4'-P-C4' energy: -6.006
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -5.557
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: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -44.321311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.321311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.321311 (E_RNA)
where:
Base-Base interactions energy: -20.117
where: short stacking energy: -20.117
Base-Backbone interact. energy: -0.000
local terms energy: -24.203845
where:
bonds (distance) C4'-P energy: -5.597
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -5.621
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -3.745
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: 273
Temperature: 1.050000
Total energy: -43.069464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.069464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.069464 (E_RNA)
where:
Base-Base interactions energy: -22.764
where: short stacking energy: -14.608
Base-Backbone interact. energy: 0.039
local terms energy: -20.344178
where:
bonds (distance) C4'-P energy: -5.207
bonds (distance) P-C4' energy: -4.039
flat angles C4'-P-C4' energy: -4.969
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -39.991311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.991311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.991311 (E_RNA)
where:
Base-Base interactions energy: -18.316
where: short stacking energy: -12.310
Base-Backbone interact. energy: -0.003
local terms energy: -21.672952
where:
bonds (distance) C4'-P energy: -2.934
bonds (distance) P-C4' energy: -6.118
flat angles C4'-P-C4' energy: -5.370
flat angles P-C4'-P energy: -2.894
tors. eta vs tors. theta energy: -4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -29.689014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.689014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.689014 (E_RNA)
where:
Base-Base interactions energy: -10.822
where: short stacking energy: -10.822
Base-Backbone interact. energy: -0.000
local terms energy: -18.866836
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -4.460
flat angles C4'-P-C4' energy: -2.467
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -42.701488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.701488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.701488 (E_RNA)
where:
Base-Base interactions energy: -17.060
where: short stacking energy: -12.310
Base-Backbone interact. energy: -0.000
local terms energy: -25.641791
where:
bonds (distance) C4'-P energy: -3.009
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -4.829
flat angles P-C4'-P energy: -3.557
tors. eta vs tors. theta energy: -7.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -31.934365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.934365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.934365 (E_RNA)
where:
Base-Base interactions energy: -19.610
where: short stacking energy: -9.239
Base-Backbone interact. energy: -0.072
local terms energy: -12.252094
where:
bonds (distance) C4'-P energy: -2.483
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.734
flat angles P-C4'-P energy: -2.927
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: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -41.464605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.464605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.464605 (E_RNA)
where:
Base-Base interactions energy: -15.111
where: short stacking energy: -15.111
Base-Backbone interact. energy: -0.000
local terms energy: -26.353271
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.787
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -35.499554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.499554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.499554 (E_RNA)
where:
Base-Base interactions energy: -14.105
where: short stacking energy: -14.105
Base-Backbone interact. energy: -0.000
local terms energy: -21.393770
where:
bonds (distance) C4'-P energy: -5.128
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -3.297
flat angles P-C4'-P energy: -3.966
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -50.533787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.533787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.533787 (E_RNA)
where:
Base-Base interactions energy: -22.677
where: short stacking energy: -22.677
Base-Backbone interact. energy: -0.000
local terms energy: -27.856411
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -4.894
flat angles P-C4'-P energy: -5.408
tors. eta vs tors. theta energy: -6.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -47.696816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.696816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.696816 (E_RNA)
where:
Base-Base interactions energy: -24.377
where: short stacking energy: -17.897
Base-Backbone interact. energy: -0.021
local terms energy: -23.299083
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -5.668
flat angles C4'-P-C4' energy: -6.146
flat angles P-C4'-P energy: -2.235
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -48.332913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.332913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.332913 (E_RNA)
where:
Base-Base interactions energy: -21.769
where: short stacking energy: -21.769
Base-Backbone interact. energy: -0.000
local terms energy: -26.563548
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -5.442
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: -6.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -41.205788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.205788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.205788 (E_RNA)
where:
Base-Base interactions energy: -14.910
where: short stacking energy: -14.910
Base-Backbone interact. energy: -0.002
local terms energy: -26.293152
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.448
flat angles P-C4'-P energy: -5.181
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: 5, replica: 1
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -44.183511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.183511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.183511 (E_RNA)
where:
Base-Base interactions energy: -21.827
where: short stacking energy: -21.827
Base-Backbone interact. energy: -0.000
local terms energy: -22.356397
where:
bonds (distance) C4'-P energy: -2.839
bonds (distance) P-C4' energy: -5.104
flat angles C4'-P-C4' energy: -4.696
flat angles P-C4'-P energy: -3.416
tors. eta vs tors. theta energy: -6.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -35.261207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.261207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.261207 (E_RNA)
where:
Base-Base interactions energy: -15.668
where: short stacking energy: -15.668
Base-Backbone interact. energy: -0.000
local terms energy: -19.593624
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -5.022
flat angles P-C4'-P energy: 0.925
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -40.622941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.622941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.622941 (E_RNA)
where:
Base-Base interactions energy: -16.163
where: short stacking energy: -16.163
Base-Backbone interact. energy: -0.014
local terms energy: -24.446225
where:
bonds (distance) C4'-P energy: -4.391
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.757
flat angles P-C4'-P energy: -1.528
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: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -35.026782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.026782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.026782 (E_RNA)
where:
Base-Base interactions energy: -9.887
where: short stacking energy: -9.887
Base-Backbone interact. energy: -0.004
local terms energy: -25.135568
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -6.327
flat angles P-C4'-P energy: -3.667
tors. eta vs tors. theta energy: -3.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -34.615538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.615538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.615538 (E_RNA)
where:
Base-Base interactions energy: -13.363
where: short stacking energy: -12.540
Base-Backbone interact. energy: -0.000
local terms energy: -21.252763
where:
bonds (distance) C4'-P energy: -4.177
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -4.531
flat angles P-C4'-P energy: -2.292
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -32.544286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.544286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.544286 (E_RNA)
where:
Base-Base interactions energy: -14.130
where: short stacking energy: -14.130
Base-Backbone interact. energy: -0.000
local terms energy: -18.414244
where:
bonds (distance) C4'-P energy: -5.141
bonds (distance) P-C4' energy: -4.522
flat angles C4'-P-C4' energy: -3.957
flat angles P-C4'-P energy: -4.310
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: 1, replica: 3
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -53.447880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.447880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.447880 (E_RNA)
where:
Base-Base interactions energy: -25.568
where: short stacking energy: -25.568
Base-Backbone interact. energy: -0.000
local terms energy: -27.879763
where:
bonds (distance) C4'-P energy: -4.727
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -5.951
flat angles P-C4'-P energy: -4.369
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: 2, replica: 6
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -50.487624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.487624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.487624 (E_RNA)
where:
Base-Base interactions energy: -22.941
where: short stacking energy: -19.516
Base-Backbone interact. energy: -0.000
local terms energy: -27.546321
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.116
flat angles P-C4'-P energy: -3.390
tors. eta vs tors. theta energy: -5.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -45.005461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.005461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.005461 (E_RNA)
where:
Base-Base interactions energy: -18.758
where: short stacking energy: -18.758
Base-Backbone interact. energy: -0.000
local terms energy: -26.247636
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -3.835
flat angles P-C4'-P energy: -3.277
tors. eta vs tors. theta energy: -7.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -50.411434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.411434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.411434 (E_RNA)
where:
Base-Base interactions energy: -26.020
where: short stacking energy: -26.020
Base-Backbone interact. energy: -0.000
local terms energy: -24.391030
where:
bonds (distance) C4'-P energy: -4.806
bonds (distance) P-C4' energy: -5.466
flat angles C4'-P-C4' energy: -5.685
flat angles P-C4'-P energy: -2.116
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: 5, replica: 1
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -44.342483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.342483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.342483 (E_RNA)
where:
Base-Base interactions energy: -19.250
where: short stacking energy: -19.250
Base-Backbone interact. energy: -0.000
local terms energy: -25.092728
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -5.730
flat angles C4'-P-C4' energy: -6.030
flat angles P-C4'-P energy: -3.953
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: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -34.887248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.887248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.887248 (E_RNA)
where:
Base-Base interactions energy: -11.656
where: short stacking energy: -11.656
Base-Backbone interact. energy: -0.085
local terms energy: -23.145913
where:
bonds (distance) C4'-P energy: -4.755
bonds (distance) P-C4' energy: -6.129
flat angles C4'-P-C4' energy: -6.646
flat angles P-C4'-P energy: -4.899
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: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -39.762015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.762015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.762015 (E_RNA)
where:
Base-Base interactions energy: -19.575
where: short stacking energy: -19.575
Base-Backbone interact. energy: -0.000
local terms energy: -20.186945
where:
bonds (distance) C4'-P energy: -4.275
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -3.623
flat angles P-C4'-P energy: 0.228
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: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -33.632492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.632492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.632492 (E_RNA)
where:
Base-Base interactions energy: -14.132
where: short stacking energy: -9.739
Base-Backbone interact. energy: -0.006
local terms energy: -19.494286
where:
bonds (distance) C4'-P energy: -5.055
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.289
flat angles P-C4'-P energy: -4.099
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: 9, replica: 2
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -36.201196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.201196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.201196 (E_RNA)
where:
Base-Base interactions energy: -17.671
where: short stacking energy: -17.671
Base-Backbone interact. energy: -0.101
local terms energy: -18.429212
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -4.261
flat angles C4'-P-C4' energy: -4.836
flat angles P-C4'-P energy: -0.979
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -41.560387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.560387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.560387 (E_RNA)
where:
Base-Base interactions energy: -17.382
where: short stacking energy: -17.382
Base-Backbone interact. energy: -0.000
local terms energy: -24.178374
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -5.438
flat angles C4'-P-C4' energy: -4.738
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -3.306
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: 1, replica: 3
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -56.313570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.313570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.313570 (E_RNA)
where:
Base-Base interactions energy: -24.794
where: short stacking energy: -24.794
Base-Backbone interact. energy: -0.000
local terms energy: -31.519299
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -5.423
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -8.087
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: 2, replica: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -48.863473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.863473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.863473 (E_RNA)
where:
Base-Base interactions energy: -24.468
where: short stacking energy: -17.959
Base-Backbone interact. energy: -0.059
local terms energy: -24.337043
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.893
flat angles P-C4'-P energy: -3.614
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: 3, replica: 10
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -48.558810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.558810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.558810 (E_RNA)
where:
Base-Base interactions energy: -19.375
where: short stacking energy: -19.375
Base-Backbone interact. energy: -0.000
local terms energy: -29.184013
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.903
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -7.330
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: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -44.437604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.437604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.437604 (E_RNA)
where:
Base-Base interactions energy: -20.036
where: short stacking energy: -20.036
Base-Backbone interact. energy: -0.001
local terms energy: -24.400561
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -5.961
flat angles P-C4'-P energy: -2.134
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -40.767252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.767252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.767252 (E_RNA)
where:
Base-Base interactions energy: -20.063
where: short stacking energy: -20.063
Base-Backbone interact. energy: -0.000
local terms energy: -20.704176
where:
bonds (distance) C4'-P energy: -2.823
bonds (distance) P-C4' energy: -4.144
flat angles C4'-P-C4' energy: -4.282
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -39.941157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.941157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.941157 (E_RNA)
where:
Base-Base interactions energy: -15.031
where: short stacking energy: -10.316
Base-Backbone interact. energy: -0.045
local terms energy: -24.865168
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.658
flat angles P-C4'-P energy: -5.544
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: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -39.818004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.818004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.818004 (E_RNA)
where:
Base-Base interactions energy: -19.277
where: short stacking energy: -9.837
Base-Backbone interact. energy: -0.076
local terms energy: -20.465293
where:
bonds (distance) C4'-P energy: -4.098
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -5.990
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -34.492618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.492618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.492618 (E_RNA)
where:
Base-Base interactions energy: -14.200
where: short stacking energy: -14.200
Base-Backbone interact. energy: -0.000
local terms energy: -20.292534
where:
bonds (distance) C4'-P energy: -4.690
bonds (distance) P-C4' energy: -5.840
flat angles C4'-P-C4' energy: -3.403
flat angles P-C4'-P energy: -2.396
tors. eta vs tors. theta energy: -3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -42.840967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.840967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.840967 (E_RNA)
where:
Base-Base interactions energy: -14.709
where: short stacking energy: -14.709
Base-Backbone interact. energy: -0.000
local terms energy: -28.131969
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.364
flat angles C4'-P-C4' energy: -5.932
flat angles P-C4'-P energy: -3.731
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -35.412074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.412074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.412074 (E_RNA)
where:
Base-Base interactions energy: -15.011
where: short stacking energy: -15.011
Base-Backbone interact. energy: -0.000
local terms energy: -20.401535
where:
bonds (distance) C4'-P energy: -3.477
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -4.602
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -54.315542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.315542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.315542 (E_RNA)
where:
Base-Base interactions energy: -25.581
where: short stacking energy: -25.581
Base-Backbone interact. energy: -0.000
local terms energy: -28.734668
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -4.874
flat angles C4'-P-C4' energy: -6.308
flat angles P-C4'-P energy: -4.756
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: 2, replica: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -42.555666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.555666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.555666 (E_RNA)
where:
Base-Base interactions energy: -19.065
where: short stacking energy: -19.065
Base-Backbone interact. energy: -0.000
local terms energy: -23.490575
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -4.236
flat angles C4'-P-C4' energy: -4.574
flat angles P-C4'-P energy: -4.081
tors. eta vs tors. theta energy: -4.999
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: 277
Temperature: 1.000000
Total energy: -45.745489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.745489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.745489 (E_RNA)
where:
Base-Base interactions energy: -26.268
where: short stacking energy: -17.036
Base-Backbone interact. energy: -0.153
local terms energy: -19.325076
where:
bonds (distance) C4'-P energy: -2.988
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.222
flat angles P-C4'-P energy: -3.156
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -40.658853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.658853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.658853 (E_RNA)
where:
Base-Base interactions energy: -16.831
where: short stacking energy: -13.596
Base-Backbone interact. energy: -0.062
local terms energy: -23.766071
where:
bonds (distance) C4'-P energy: -5.510
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.573
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -43.892124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.892124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.892124 (E_RNA)
where:
Base-Base interactions energy: -20.421
where: short stacking energy: -20.421
Base-Backbone interact. energy: -0.000
local terms energy: -23.471421
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -2.049
flat angles C4'-P-C4' energy: -5.331
flat angles P-C4'-P energy: -4.093
tors. eta vs tors. theta energy: -5.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -42.939096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.939096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.939096 (E_RNA)
where:
Base-Base interactions energy: -20.165
where: short stacking energy: -15.205
Base-Backbone interact. energy: -0.006
local terms energy: -22.767756
where:
bonds (distance) C4'-P energy: -3.345
bonds (distance) P-C4' energy: -6.657
flat angles C4'-P-C4' energy: -5.643
flat angles P-C4'-P energy: -2.688
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -43.624506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.624506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.624506 (E_RNA)
where:
Base-Base interactions energy: -19.250
where: short stacking energy: -19.250
Base-Backbone interact. energy: -0.000
local terms energy: -24.374874
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -5.419
flat angles C4'-P-C4' energy: -3.889
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -5.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -38.670877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.670877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.670877 (E_RNA)
where:
Base-Base interactions energy: -14.958
where: short stacking energy: -14.958
Base-Backbone interact. energy: -0.000
local terms energy: -23.712694
where:
bonds (distance) C4'-P energy: -4.053
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.904
flat angles P-C4'-P energy: -3.875
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -32.167113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.167113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.167113 (E_RNA)
where:
Base-Base interactions energy: -10.039
where: short stacking energy: -10.039
Base-Backbone interact. energy: -0.000
local terms energy: -22.127800
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -3.991
tors. eta vs tors. theta energy: -1.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -34.448771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.448771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.448771 (E_RNA)
where:
Base-Base interactions energy: -15.925
where: short stacking energy: -15.925
Base-Backbone interact. energy: -0.050
local terms energy: -18.473402
where:
bonds (distance) C4'-P energy: -5.233
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -2.176
flat angles P-C4'-P energy: -2.826
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: 1, replica: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -52.073599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.073599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.073599 (E_RNA)
where:
Base-Base interactions energy: -23.275
where: short stacking energy: -23.275
Base-Backbone interact. energy: -0.000
local terms energy: -28.798325
where:
bonds (distance) C4'-P energy: -6.462
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -6.589
flat angles P-C4'-P energy: -3.524
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -45.553224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.553224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.553224 (E_RNA)
where:
Base-Base interactions energy: -20.874
where: short stacking energy: -20.874
Base-Backbone interact. energy: -0.000
local terms energy: -24.679470
where:
bonds (distance) C4'-P energy: -4.462
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -4.713
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -43.033679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.033679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.033679 (E_RNA)
where:
Base-Base interactions energy: -23.006
where: short stacking energy: -14.845
Base-Backbone interact. energy: -0.001
local terms energy: -20.026468
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.438
flat angles C4'-P-C4' energy: -5.425
flat angles P-C4'-P energy: -1.672
tors. eta vs tors. theta energy: -1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -35.222452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.222452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.222452 (E_RNA)
where:
Base-Base interactions energy: -15.762
where: short stacking energy: -15.762
Base-Backbone interact. energy: -0.001
local terms energy: -19.459801
where:
bonds (distance) C4'-P energy: -4.752
bonds (distance) P-C4' energy: -4.917
flat angles C4'-P-C4' energy: -5.584
flat angles P-C4'-P energy: -2.078
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -43.015077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.015077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.015077 (E_RNA)
where:
Base-Base interactions energy: -20.995
where: short stacking energy: -20.995
Base-Backbone interact. energy: -0.009
local terms energy: -22.011348
where:
bonds (distance) C4'-P energy: -3.921
bonds (distance) P-C4' energy: -5.304
flat angles C4'-P-C4' energy: -6.483
flat angles P-C4'-P energy: -2.461
tors. eta vs tors. theta energy: -3.842
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: 6, replica: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -36.870137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.870137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.870137 (E_RNA)
where:
Base-Base interactions energy: -14.543
where: short stacking energy: -14.543
Base-Backbone interact. energy: -0.000
local terms energy: -22.327317
where:
bonds (distance) C4'-P energy: -4.230
bonds (distance) P-C4' energy: -3.935
flat angles C4'-P-C4' energy: -4.370
flat angles P-C4'-P energy: -4.099
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: 7, replica: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -35.529144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.529144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.529144 (E_RNA)
where:
Base-Base interactions energy: -14.623
where: short stacking energy: -12.531
Base-Backbone interact. energy: -0.003
local terms energy: -20.903190
where:
bonds (distance) C4'-P energy: -3.635
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.527
flat angles P-C4'-P energy: -2.669
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -31.430753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.430753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.430753 (E_RNA)
where:
Base-Base interactions energy: -11.803
where: short stacking energy: -11.803
Base-Backbone interact. energy: -0.001
local terms energy: -19.626446
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -4.184
flat angles C4'-P-C4' energy: -6.152
flat angles P-C4'-P energy: -2.996
tors. eta vs tors. theta energy: -0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -30.489099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.489099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.489099 (E_RNA)
where:
Base-Base interactions energy: -10.249
where: short stacking energy: -8.598
Base-Backbone interact. energy: -0.000
local terms energy: -20.240557
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.128
flat angles P-C4'-P energy: -4.195
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: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -30.981824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.981824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.981824 (E_RNA)
where:
Base-Base interactions energy: -11.193
where: short stacking energy: -11.193
Base-Backbone interact. energy: -0.001
local terms energy: -19.787947
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -4.435
flat angles C4'-P-C4' energy: -5.107
flat angles P-C4'-P energy: -2.772
tors. eta vs tors. theta energy: -2.400
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: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -50.100166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.100166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.100166 (E_RNA)
where:
Base-Base interactions energy: -21.290
where: short stacking energy: -21.290
Base-Backbone interact. energy: -0.000
local terms energy: -28.810539
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.648
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -7.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -40.597956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.597956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.597956 (E_RNA)
where:
Base-Base interactions energy: -17.840
where: short stacking energy: -17.840
Base-Backbone interact. energy: -0.004
local terms energy: -22.753936
where:
bonds (distance) C4'-P energy: -4.367
bonds (distance) P-C4' energy: -5.763
flat angles C4'-P-C4' energy: -5.699
flat angles P-C4'-P energy: -4.460
tors. eta vs tors. theta energy: -2.465
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: 10
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -48.617874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.617874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.617874 (E_RNA)
where:
Base-Base interactions energy: -22.115
where: short stacking energy: -22.115
Base-Backbone interact. energy: -0.000
local terms energy: -26.503047
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -6.428
flat angles P-C4'-P energy: -3.606
tors. eta vs tors. theta energy: -4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -39.209547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.209547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.209547 (E_RNA)
where:
Base-Base interactions energy: -16.458
where: short stacking energy: -16.458
Base-Backbone interact. energy: -0.001
local terms energy: -22.749832
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -3.631
flat angles P-C4'-P energy: -4.566
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: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -41.329632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.329632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.329632 (E_RNA)
where:
Base-Base interactions energy: -21.237
where: short stacking energy: -17.243
Base-Backbone interact. energy: -0.081
local terms energy: -20.011250
where:
bonds (distance) C4'-P energy: -5.393
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -4.446
flat angles P-C4'-P energy: -2.770
tors. eta vs tors. theta energy: -1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -43.799486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.799486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.799486 (E_RNA)
where:
Base-Base interactions energy: -18.410
where: short stacking energy: -18.410
Base-Backbone interact. energy: -0.000
local terms energy: -25.389328
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.158
flat angles P-C4'-P energy: -2.656
tors. eta vs tors. theta energy: -6.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -42.106356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.106356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.106356 (E_RNA)
where:
Base-Base interactions energy: -17.862
where: short stacking energy: -17.862
Base-Backbone interact. energy: -0.000
local terms energy: -24.243872
where:
bonds (distance) C4'-P energy: -4.888
bonds (distance) P-C4' energy: -6.125
flat angles C4'-P-C4' energy: -3.981
flat angles P-C4'-P energy: -4.528
tors. eta vs tors. theta energy: -4.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -42.668447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.668447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.668447 (E_RNA)
where:
Base-Base interactions energy: -22.105
where: short stacking energy: -22.105
Base-Backbone interact. energy: -0.001
local terms energy: -20.562229
where:
bonds (distance) C4'-P energy: -1.888
bonds (distance) P-C4' energy: -4.829
flat angles C4'-P-C4' energy: -5.074
flat angles P-C4'-P energy: -4.474
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -32.571346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.571346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.571346 (E_RNA)
where:
Base-Base interactions energy: -12.141
where: short stacking energy: -12.141
Base-Backbone interact. energy: -0.001
local terms energy: -20.430325
where:
bonds (distance) C4'-P energy: -4.027
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.581
flat angles P-C4'-P energy: -3.233
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -33.472932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.472932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.472932 (E_RNA)
where:
Base-Base interactions energy: -12.968
where: short stacking energy: -12.968
Base-Backbone interact. energy: -0.000
local terms energy: -20.504705
where:
bonds (distance) C4'-P energy: -4.583
bonds (distance) P-C4' energy: -5.656
flat angles C4'-P-C4' energy: -5.324
flat angles P-C4'-P energy: -3.208
tors. eta vs tors. theta energy: -1.733
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: 280
Temperature: 0.900000
Total energy: -38.928472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.928472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.928472 (E_RNA)
where:
Base-Base interactions energy: -12.390
where: short stacking energy: -12.390
Base-Backbone interact. energy: -0.041
local terms energy: -26.497868
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -6.442
flat angles C4'-P-C4' energy: -5.934
flat angles P-C4'-P energy: -2.872
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: 2, replica: 6
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -39.178943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.178943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.178943 (E_RNA)
where:
Base-Base interactions energy: -14.421
where: short stacking energy: -14.421
Base-Backbone interact. energy: -0.049
local terms energy: -24.708946
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.954
flat angles P-C4'-P energy: -4.260
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: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -48.397701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.397701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.397701 (E_RNA)
where:
Base-Base interactions energy: -19.183
where: short stacking energy: -19.183
Base-Backbone interact. energy: -0.000
local terms energy: -29.214509
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -6.222
flat angles P-C4'-P energy: -4.707
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -49.069240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.069240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.069240 (E_RNA)
where:
Base-Base interactions energy: -23.067
where: short stacking energy: -19.750
Base-Backbone interact. energy: -0.000
local terms energy: -26.001906
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -4.896
flat angles C4'-P-C4' energy: -6.159
flat angles P-C4'-P energy: -3.856
tors. eta vs tors. theta energy: -5.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -40.670873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.670873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.670873 (E_RNA)
where:
Base-Base interactions energy: -18.365
where: short stacking energy: -18.365
Base-Backbone interact. energy: -0.000
local terms energy: -22.305702
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.766
flat angles P-C4'-P energy: -2.645
tors. eta vs tors. theta energy: -3.131
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: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -32.691888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.691888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.691888 (E_RNA)
where:
Base-Base interactions energy: -14.791
where: short stacking energy: -14.791
Base-Backbone interact. energy: -0.005
local terms energy: -17.895799
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -3.632
flat angles P-C4'-P energy: -1.611
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: 7, replica: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -37.391192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.391192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.391192 (E_RNA)
where:
Base-Base interactions energy: -15.175
where: short stacking energy: -15.175
Base-Backbone interact. energy: -0.137
local terms energy: -22.079203
where:
bonds (distance) C4'-P energy: -3.349
bonds (distance) P-C4' energy: -5.773
flat angles C4'-P-C4' energy: -5.722
flat angles P-C4'-P energy: -4.416
tors. eta vs tors. theta energy: -2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -39.071017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.071017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.071017 (E_RNA)
where:
Base-Base interactions energy: -15.522
where: short stacking energy: -14.862
Base-Backbone interact. energy: -0.002
local terms energy: -23.547658
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -3.967
flat angles P-C4'-P energy: -3.022
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -37.557712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.557712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.557712 (E_RNA)
where:
Base-Base interactions energy: -11.479
where: short stacking energy: -11.479
Base-Backbone interact. energy: -0.000
local terms energy: -26.078723
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.555
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -2.051
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: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -30.228483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.228483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.228483 (E_RNA)
where:
Base-Base interactions energy: -12.127
where: short stacking energy: -12.127
Base-Backbone interact. energy: -0.010
local terms energy: -18.092297
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -3.444
flat angles P-C4'-P energy: -0.994
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -39.328567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.328567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.328567 (E_RNA)
where:
Base-Base interactions energy: -15.689
where: short stacking energy: -15.689
Base-Backbone interact. energy: -0.001
local terms energy: -23.638912
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -4.058
flat angles P-C4'-P energy: -4.520
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -52.143237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.143237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.143237 (E_RNA)
where:
Base-Base interactions energy: -23.869
where: short stacking energy: -23.869
Base-Backbone interact. energy: -0.000
local terms energy: -28.273795
where:
bonds (distance) C4'-P energy: -3.936
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.733
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: -7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -44.463961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.463961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.463961 (E_RNA)
where:
Base-Base interactions energy: -17.648
where: short stacking energy: -13.979
Base-Backbone interact. energy: -0.709
local terms energy: -26.107146
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.749
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: -3.376
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: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -40.343034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.343034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.343034 (E_RNA)
where:
Base-Base interactions energy: -18.257
where: short stacking energy: -18.257
Base-Backbone interact. energy: -0.000
local terms energy: -22.085734
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -3.286
flat angles C4'-P-C4' energy: -6.096
flat angles P-C4'-P energy: -4.272
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: 5, replica: 10
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -41.037726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.037726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.037726 (E_RNA)
where:
Base-Base interactions energy: -22.509
where: short stacking energy: -22.509
Base-Backbone interact. energy: -0.000
local terms energy: -18.528301
where:
bonds (distance) C4'-P energy: -4.880
bonds (distance) P-C4' energy: -3.994
flat angles C4'-P-C4' energy: -0.726
flat angles P-C4'-P energy: -4.905
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: 6, replica: 5
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -37.211217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.211217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.211217 (E_RNA)
where:
Base-Base interactions energy: -14.072
where: short stacking energy: -14.072
Base-Backbone interact. energy: 0.246
local terms energy: -23.384707
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -3.795
flat angles P-C4'-P energy: -4.347
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -41.057992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.057992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.057992 (E_RNA)
where:
Base-Base interactions energy: -18.597
where: short stacking energy: -14.118
Base-Backbone interact. energy: -0.019
local terms energy: -22.441363
where:
bonds (distance) C4'-P energy: -3.680
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -6.646
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -44.371321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.371321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.371321 (E_RNA)
where:
Base-Base interactions energy: -16.095
where: short stacking energy: -16.095
Base-Backbone interact. energy: -0.000
local terms energy: -28.276732
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.642
flat angles P-C4'-P energy: -5.008
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -31.982656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.982656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.982656 (E_RNA)
where:
Base-Base interactions energy: -10.689
where: short stacking energy: -10.689
Base-Backbone interact. energy: -0.000
local terms energy: -21.293273
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -4.408
flat angles C4'-P-C4' energy: -5.709
flat angles P-C4'-P energy: -0.980
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: 10, replica: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -32.605621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.605621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.605621 (E_RNA)
where:
Base-Base interactions energy: -12.350
where: short stacking energy: -12.350
Base-Backbone interact. energy: -0.005
local terms energy: -20.250749
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -3.683
flat angles C4'-P-C4' energy: -5.329
flat angles P-C4'-P energy: -2.758
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: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -48.344029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.344029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.344029 (E_RNA)
where:
Base-Base interactions energy: -21.944
where: short stacking energy: -21.944
Base-Backbone interact. energy: -0.000
local terms energy: -26.400476
where:
bonds (distance) C4'-P energy: -5.099
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -6.241
flat angles P-C4'-P energy: -3.377
tors. eta vs tors. theta energy: -5.230
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: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -45.980371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.980371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.980371 (E_RNA)
where:
Base-Base interactions energy: -19.670
where: short stacking energy: -16.385
Base-Backbone interact. energy: -0.000
local terms energy: -26.310061
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.812
flat angles P-C4'-P energy: -4.812
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -46.845488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.845488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.845488 (E_RNA)
where:
Base-Base interactions energy: -27.227
where: short stacking energy: -9.297
Base-Backbone interact. energy: -0.013
local terms energy: -19.605611
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -3.249
flat angles C4'-P-C4' energy: -5.652
flat angles P-C4'-P energy: -3.155
tors. eta vs tors. theta energy: -1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -37.330062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.330062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.330062 (E_RNA)
where:
Base-Base interactions energy: -13.594
where: short stacking energy: -13.594
Base-Backbone interact. energy: -0.043
local terms energy: -23.692827
where:
bonds (distance) C4'-P energy: -5.688
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -6.397
flat angles P-C4'-P energy: -2.501
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: 5, replica: 5
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -41.777614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.777614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.777614 (E_RNA)
where:
Base-Base interactions energy: -17.840
where: short stacking energy: -17.840
Base-Backbone interact. energy: -0.000
local terms energy: -23.937718
where:
bonds (distance) C4'-P energy: -4.334
bonds (distance) P-C4' energy: -5.438
flat angles C4'-P-C4' energy: -5.317
flat angles P-C4'-P energy: -4.324
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -38.561102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.561102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.561102 (E_RNA)
where:
Base-Base interactions energy: -13.824
where: short stacking energy: -13.824
Base-Backbone interact. energy: -0.000
local terms energy: -24.736798
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -4.775
flat angles P-C4'-P energy: -1.729
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: 7, replica: 9
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -33.521901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.521901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.521901 (E_RNA)
where:
Base-Base interactions energy: -16.094
where: short stacking energy: -16.094
Base-Backbone interact. energy: -0.000
local terms energy: -17.428355
where:
bonds (distance) C4'-P energy: -3.021
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -2.884
flat angles P-C4'-P energy: -1.298
tors. eta vs tors. theta energy: -3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -43.964717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.964717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.964717 (E_RNA)
where:
Base-Base interactions energy: -20.821
where: short stacking energy: -20.821
Base-Backbone interact. energy: -0.000
local terms energy: -23.143266
where:
bonds (distance) C4'-P energy: -4.371
bonds (distance) P-C4' energy: -4.727
flat angles C4'-P-C4' energy: -4.902
flat angles P-C4'-P energy: -2.434
tors. eta vs tors. theta energy: -6.709
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: 9, replica: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -32.833274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.833274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.833274 (E_RNA)
where:
Base-Base interactions energy: -9.302
where: short stacking energy: -9.302
Base-Backbone interact. energy: -0.023
local terms energy: -23.508917
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -6.122
flat angles C4'-P-C4' energy: -5.322
flat angles P-C4'-P energy: -3.527
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -35.412203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.412203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.412203 (E_RNA)
where:
Base-Base interactions energy: -16.154
where: short stacking energy: -3.042
Base-Backbone interact. energy: -0.171
local terms energy: -19.087708
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -3.377
flat angles P-C4'-P energy: -4.176
tors. eta vs tors. theta energy: 0.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -44.492176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.492176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.492176 (E_RNA)
where:
Base-Base interactions energy: -18.910
where: short stacking energy: -11.221
Base-Backbone interact. energy: -0.065
local terms energy: -25.517522
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -4.993
flat angles P-C4'-P energy: -4.079
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -52.878193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.878193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.878193 (E_RNA)
where:
Base-Base interactions energy: -30.246
where: short stacking energy: -16.822
Base-Backbone interact. energy: -0.000
local terms energy: -22.631926
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.124
flat angles C4'-P-C4' energy: -6.225
flat angles P-C4'-P energy: -3.640
tors. eta vs tors. theta energy: -1.186
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: 283
Temperature: 1.000000
Total energy: -45.688903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.688903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.688903 (E_RNA)
where:
Base-Base interactions energy: -20.280
where: short stacking energy: -20.280
Base-Backbone interact. energy: -0.000
local terms energy: -25.408632
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.746
flat angles P-C4'-P energy: -3.878
tors. eta vs tors. theta energy: -4.625
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: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -40.295150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.295150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.295150 (E_RNA)
where:
Base-Base interactions energy: -15.889
where: short stacking energy: -15.889
Base-Backbone interact. energy: -0.063
local terms energy: -24.342911
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -5.730
flat angles C4'-P-C4' energy: -5.691
flat angles P-C4'-P energy: -4.397
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: 5, replica: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -42.459085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.459085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.459085 (E_RNA)
where:
Base-Base interactions energy: -22.576
where: short stacking energy: -16.817
Base-Backbone interact. energy: -0.001
local terms energy: -19.882867
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -4.557
flat angles C4'-P-C4' energy: -5.007
flat angles P-C4'-P energy: -4.518
tors. eta vs tors. theta energy: -0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -37.818708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.818708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.818708 (E_RNA)
where:
Base-Base interactions energy: -15.850
where: short stacking energy: -15.067
Base-Backbone interact. energy: 0.216
local terms energy: -22.185550
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -4.742
flat angles C4'-P-C4' energy: -4.812
flat angles P-C4'-P energy: -2.555
tors. eta vs tors. theta energy: -3.947
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: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -38.653918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.653918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.653918 (E_RNA)
where:
Base-Base interactions energy: -16.604
where: short stacking energy: -14.048
Base-Backbone interact. energy: -0.095
local terms energy: -21.955209
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.083
flat angles P-C4'-P energy: -1.558
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -34.360998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.360998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.360998 (E_RNA)
where:
Base-Base interactions energy: -14.436
where: short stacking energy: -14.436
Base-Backbone interact. energy: -0.000
local terms energy: -19.924560
where:
bonds (distance) C4'-P energy: -2.524
bonds (distance) P-C4' energy: -5.113
flat angles C4'-P-C4' energy: -6.086
flat angles P-C4'-P energy: -3.294
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -36.862010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.862010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.862010 (E_RNA)
where:
Base-Base interactions energy: -12.917
where: short stacking energy: -12.917
Base-Backbone interact. energy: -0.000
local terms energy: -23.944975
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -4.925
flat angles P-C4'-P energy: -3.464
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: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -36.945768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.945768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.945768 (E_RNA)
where:
Base-Base interactions energy: -20.752
where: short stacking energy: -10.205
Base-Backbone interact. energy: -0.015
local terms energy: -16.178661
where:
bonds (distance) C4'-P energy: -3.299
bonds (distance) P-C4' energy: -6.149
flat angles C4'-P-C4' energy: -4.663
flat angles P-C4'-P energy: -4.667
tors. eta vs tors. theta energy: 2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -53.635266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.635266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.635266 (E_RNA)
where:
Base-Base interactions energy: -27.624
where: short stacking energy: -19.999
Base-Backbone interact. energy: -0.029
local terms energy: -25.982232
where:
bonds (distance) C4'-P energy: -4.508
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -6.328
flat angles P-C4'-P energy: -4.057
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: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -47.993829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.993829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.993829 (E_RNA)
where:
Base-Base interactions energy: -19.732
where: short stacking energy: -18.112
Base-Backbone interact. energy: -0.000
local terms energy: -28.261410
where:
bonds (distance) C4'-P energy: -4.603
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.470
flat angles P-C4'-P energy: -5.486
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: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -48.524439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.524439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.524439 (E_RNA)
where:
Base-Base interactions energy: -22.592
where: short stacking energy: -22.592
Base-Backbone interact. energy: -0.000
local terms energy: -25.932567
where:
bonds (distance) C4'-P energy: -1.585
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -6.115
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: -7.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -50.748189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.748189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.748189 (E_RNA)
where:
Base-Base interactions energy: -22.004
where: short stacking energy: -22.004
Base-Backbone interact. energy: -0.000
local terms energy: -28.744666
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -5.306
flat angles P-C4'-P energy: -3.725
tors. eta vs tors. theta energy: -7.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -44.902971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.902971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.902971 (E_RNA)
where:
Base-Base interactions energy: -23.994
where: short stacking energy: -17.906
Base-Backbone interact. energy: -0.025
local terms energy: -20.884341
where:
bonds (distance) C4'-P energy: -4.843
bonds (distance) P-C4' energy: -4.684
flat angles C4'-P-C4' energy: -4.952
flat angles P-C4'-P energy: -3.049
tors. eta vs tors. theta energy: -3.356
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: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -34.409444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.409444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.409444 (E_RNA)
where:
Base-Base interactions energy: -12.190
where: short stacking energy: -12.190
Base-Backbone interact. energy: -0.000
local terms energy: -22.218912
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -2.369
tors. eta vs tors. theta energy: -1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -37.157503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.157503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.157503 (E_RNA)
where:
Base-Base interactions energy: -18.466
where: short stacking energy: -12.976
Base-Backbone interact. energy: -0.000
local terms energy: -18.691181
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -2.786
flat angles P-C4'-P energy: -0.409
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: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -37.659587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.659587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.659587 (E_RNA)
where:
Base-Base interactions energy: -16.778
where: short stacking energy: -16.778
Base-Backbone interact. energy: -0.001
local terms energy: -20.880498
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -4.159
flat angles P-C4'-P energy: -4.260
tors. eta vs tors. theta energy: -1.090
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: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -30.416454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.416454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.416454 (E_RNA)
where:
Base-Base interactions energy: -14.422
where: short stacking energy: -2.010
Base-Backbone interact. energy: -0.104
local terms energy: -15.890700
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -5.135
flat angles C4'-P-C4' energy: -2.286
flat angles P-C4'-P energy: -3.456
tors. eta vs tors. theta energy: 0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -29.917250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.917250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.917250 (E_RNA)
where:
Base-Base interactions energy: -9.515
where: short stacking energy: -8.978
Base-Backbone interact. energy: -0.015
local terms energy: -20.387384
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.477
flat angles P-C4'-P energy: -1.748
tors. eta vs tors. theta energy: -2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -53.702226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.702226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.702226 (E_RNA)
where:
Base-Base interactions energy: -26.161
where: short stacking energy: -26.161
Base-Backbone interact. energy: -0.000
local terms energy: -27.541217
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -4.526
flat angles C4'-P-C4' energy: -5.649
flat angles P-C4'-P energy: -4.397
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: 2, replica: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -46.859614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.859614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.859614 (E_RNA)
where:
Base-Base interactions energy: -21.497
where: short stacking energy: -21.497
Base-Backbone interact. energy: -0.009
local terms energy: -25.353861
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -5.298
flat angles C4'-P-C4' energy: -4.399
flat angles P-C4'-P energy: -4.586
tors. eta vs tors. theta energy: -5.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -48.686067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.686067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.686067 (E_RNA)
where:
Base-Base interactions energy: -22.046
where: short stacking energy: -22.046
Base-Backbone interact. energy: -0.000
local terms energy: -26.639618
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -3.683
flat angles C4'-P-C4' energy: -6.037
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -5.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -43.725659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.725659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.725659 (E_RNA)
where:
Base-Base interactions energy: -18.001
where: short stacking energy: -18.001
Base-Backbone interact. energy: -0.000
local terms energy: -25.724582
where:
bonds (distance) C4'-P energy: -3.882
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.904
flat angles P-C4'-P energy: -3.874
tors. eta vs tors. theta energy: -5.851
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: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -45.142338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.142338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.142338 (E_RNA)
where:
Base-Base interactions energy: -20.690
where: short stacking energy: -20.690
Base-Backbone interact. energy: -0.000
local terms energy: -24.451793
where:
bonds (distance) C4'-P energy: -3.522
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.864
flat angles P-C4'-P energy: -2.879
tors. eta vs tors. theta energy: -5.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -47.727576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.727576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.727576 (E_RNA)
where:
Base-Base interactions energy: -19.210
where: short stacking energy: -19.210
Base-Backbone interact. energy: -0.000
local terms energy: -28.517141
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.903
flat angles P-C4'-P energy: -3.236
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -35.348338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.348338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.348338 (E_RNA)
where:
Base-Base interactions energy: -12.322
where: short stacking energy: -12.322
Base-Backbone interact. energy: -0.000
local terms energy: -23.026224
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -4.519
flat angles C4'-P-C4' energy: -5.319
flat angles P-C4'-P energy: -2.406
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -31.202316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.202316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.202316 (E_RNA)
where:
Base-Base interactions energy: -9.899
where: short stacking energy: -9.899
Base-Backbone interact. energy: -0.001
local terms energy: -21.302078
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -4.597
flat angles P-C4'-P energy: -2.128
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: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -33.063804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.063804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.063804 (E_RNA)
where:
Base-Base interactions energy: -12.199
where: short stacking energy: -12.199
Base-Backbone interact. energy: -0.030
local terms energy: -20.834644
where:
bonds (distance) C4'-P energy: -4.346
bonds (distance) P-C4' energy: -5.089
flat angles C4'-P-C4' energy: -4.631
flat angles P-C4'-P energy: -4.934
tors. eta vs tors. theta energy: -1.835
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: 10, replica: 2
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -30.213955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.213955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.213955 (E_RNA)
where:
Base-Base interactions energy: -10.383
where: short stacking energy: -10.383
Base-Backbone interact. energy: -0.000
local terms energy: -19.830325
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -3.795
flat angles P-C4'-P energy: -4.294
tors. eta vs tors. theta energy: -0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -55.467939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.467939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.467939 (E_RNA)
where:
Base-Base interactions energy: -26.473
where: short stacking energy: -26.473
Base-Backbone interact. energy: -0.000
local terms energy: -28.994692
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -6.191
flat angles P-C4'-P energy: -4.080
tors. eta vs tors. theta energy: -6.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -41.685297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.685297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.685297 (E_RNA)
where:
Base-Base interactions energy: -18.722
where: short stacking energy: -18.722
Base-Backbone interact. energy: -0.000
local terms energy: -22.963374
where:
bonds (distance) C4'-P energy: -4.231
bonds (distance) P-C4' energy: -5.330
flat angles C4'-P-C4' energy: -6.007
flat angles P-C4'-P energy: -3.246
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -40.457727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.457727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.457727 (E_RNA)
where:
Base-Base interactions energy: -15.813
where: short stacking energy: -15.813
Base-Backbone interact. energy: -0.022
local terms energy: -24.622244
where:
bonds (distance) C4'-P energy: -4.453
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -6.044
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -48.488542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.488542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.488542 (E_RNA)
where:
Base-Base interactions energy: -21.467
where: short stacking energy: -21.467
Base-Backbone interact. energy: -0.001
local terms energy: -27.020824
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.324
flat angles P-C4'-P energy: -4.548
tors. eta vs tors. theta energy: -5.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -38.550678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.550678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.550678 (E_RNA)
where:
Base-Base interactions energy: -16.813
where: short stacking energy: -16.265
Base-Backbone interact. energy: -0.097
local terms energy: -21.640974
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -3.400
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -2.290
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: 6, replica: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -37.739263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.739263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.739263 (E_RNA)
where:
Base-Base interactions energy: -13.416
where: short stacking energy: -13.416
Base-Backbone interact. energy: -0.011
local terms energy: -24.312836
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -6.116
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -38.170225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.170225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.170225 (E_RNA)
where:
Base-Base interactions energy: -14.393
where: short stacking energy: -13.334
Base-Backbone interact. energy: -0.507
local terms energy: -23.270028
where:
bonds (distance) C4'-P energy: -3.999
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -4.889
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -36.563448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.563448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.563448 (E_RNA)
where:
Base-Base interactions energy: -12.326
where: short stacking energy: -12.326
Base-Backbone interact. energy: -0.053
local terms energy: -24.184174
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -3.960
flat angles C4'-P-C4' energy: -6.196
flat angles P-C4'-P energy: -3.582
tors. eta vs tors. theta energy: -4.634
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: 2
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -36.377767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.377767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.377767 (E_RNA)
where:
Base-Base interactions energy: -10.896
where: short stacking energy: -10.896
Base-Backbone interact. energy: -0.022
local terms energy: -25.459980
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -6.304
flat angles P-C4'-P energy: -3.519
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -33.597273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.597273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.597273 (E_RNA)
where:
Base-Base interactions energy: -14.038
where: short stacking energy: -9.511
Base-Backbone interact. energy: -0.177
local terms energy: -19.382695
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.704
flat angles P-C4'-P energy: -3.923
tors. eta vs tors. theta energy: 0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -56.453821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.453821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.453821 (E_RNA)
where:
Base-Base interactions energy: -25.938
where: short stacking energy: -25.938
Base-Backbone interact. energy: -0.000
local terms energy: -30.515565
where:
bonds (distance) C4'-P energy: -4.747
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -6.540
flat angles P-C4'-P energy: -4.214
tors. eta vs tors. theta energy: -7.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -51.721932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.721932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.721932 (E_RNA)
where:
Base-Base interactions energy: -21.246
where: short stacking energy: -21.246
Base-Backbone interact. energy: -0.000
local terms energy: -30.476003
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.696
flat angles P-C4'-P energy: -3.963
tors. eta vs tors. theta energy: -7.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -49.623830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.623830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.623830 (E_RNA)
where:
Base-Base interactions energy: -20.742
where: short stacking energy: -20.742
Base-Backbone interact. energy: -0.000
local terms energy: -28.881708
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.531
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: -5.830
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: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -39.776646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.776646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.776646 (E_RNA)
where:
Base-Base interactions energy: -13.737
where: short stacking energy: -13.737
Base-Backbone interact. energy: -0.035
local terms energy: -26.004378
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -5.687
flat angles C4'-P-C4' energy: -6.217
flat angles P-C4'-P energy: -4.594
tors. eta vs tors. theta energy: -3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -42.800983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.800983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.800983 (E_RNA)
where:
Base-Base interactions energy: -17.043
where: short stacking energy: -15.460
Base-Backbone interact. energy: -0.007
local terms energy: -25.751609
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.991
flat angles C4'-P-C4' energy: -3.036
flat angles P-C4'-P energy: -3.886
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -36.428185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.428185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.428185 (E_RNA)
where:
Base-Base interactions energy: -20.422
where: short stacking energy: -8.211
Base-Backbone interact. energy: -0.000
local terms energy: -16.006194
where:
bonds (distance) C4'-P energy: -3.572
bonds (distance) P-C4' energy: -5.135
flat angles C4'-P-C4' energy: -4.210
flat angles P-C4'-P energy: -1.821
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: 7, replica: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -39.429011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.429011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.429011 (E_RNA)
where:
Base-Base interactions energy: -15.369
where: short stacking energy: -13.835
Base-Backbone interact. energy: -0.010
local terms energy: -24.050045
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -6.045
flat angles P-C4'-P energy: -3.199
tors. eta vs tors. theta energy: -2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -35.903290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.903290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.903290 (E_RNA)
where:
Base-Base interactions energy: -13.568
where: short stacking energy: -10.246
Base-Backbone interact. energy: -0.035
local terms energy: -22.300261
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -3.543
flat angles C4'-P-C4' energy: -5.424
flat angles P-C4'-P energy: -3.828
tors. eta vs tors. theta energy: -3.685
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: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -38.090794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.090794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.090794 (E_RNA)
where:
Base-Base interactions energy: -16.611
where: short stacking energy: -14.905
Base-Backbone interact. energy: -0.002
local terms energy: -21.477664
where:
bonds (distance) C4'-P energy: -3.828
bonds (distance) P-C4' energy: -5.868
flat angles C4'-P-C4' energy: -3.353
flat angles P-C4'-P energy: -3.421
tors. eta vs tors. theta energy: -5.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -35.749421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.749421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.749421 (E_RNA)
where:
Base-Base interactions energy: -12.552
where: short stacking energy: -12.552
Base-Backbone interact. energy: -0.000
local terms energy: -23.197113
where:
bonds (distance) C4'-P energy: -1.958
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -4.816
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: -5.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -52.462072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.462072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.462072 (E_RNA)
where:
Base-Base interactions energy: -24.532
where: short stacking energy: -24.532
Base-Backbone interact. energy: -0.000
local terms energy: -27.929725
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -6.008
flat angles P-C4'-P energy: -3.875
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -48.659749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.659749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.659749 (E_RNA)
where:
Base-Base interactions energy: -21.609
where: short stacking energy: -21.609
Base-Backbone interact. energy: -0.000
local terms energy: -27.051039
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -4.247
flat angles P-C4'-P energy: -3.665
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: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -50.321579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.321579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.321579 (E_RNA)
where:
Base-Base interactions energy: -24.748
where: short stacking energy: -13.855
Base-Backbone interact. energy: -0.081
local terms energy: -25.492484
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -6.261
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: -3.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -45.185560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.185560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.185560 (E_RNA)
where:
Base-Base interactions energy: -17.992
where: short stacking energy: -17.992
Base-Backbone interact. energy: -0.000
local terms energy: -27.193669
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.039
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -5.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -41.991940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.991940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.991940 (E_RNA)
where:
Base-Base interactions energy: -18.058
where: short stacking energy: -12.860
Base-Backbone interact. energy: -0.069
local terms energy: -23.865197
where:
bonds (distance) C4'-P energy: -4.566
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.542
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: -0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -40.717837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.717837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.717837 (E_RNA)
where:
Base-Base interactions energy: -19.540
where: short stacking energy: -19.540
Base-Backbone interact. energy: -0.000
local terms energy: -21.177803
where:
bonds (distance) C4'-P energy: -3.581
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -2.978
flat angles P-C4'-P energy: -4.595
tors. eta vs tors. theta energy: -4.659
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: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -40.609758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.609758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.609758 (E_RNA)
where:
Base-Base interactions energy: -14.523
where: short stacking energy: -14.523
Base-Backbone interact. energy: -0.000
local terms energy: -26.087154
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -6.003
flat angles P-C4'-P energy: -1.996
tors. eta vs tors. theta energy: -6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -36.807735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.807735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.807735 (E_RNA)
where:
Base-Base interactions energy: -10.458
where: short stacking energy: -10.458
Base-Backbone interact. energy: -0.000
local terms energy: -26.349746
where:
bonds (distance) C4'-P energy: -4.292
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.523
flat angles P-C4'-P energy: -4.536
tors. eta vs tors. theta energy: -4.094
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: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -32.081109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.081109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.081109 (E_RNA)
where:
Base-Base interactions energy: -11.980
where: short stacking energy: -8.837
Base-Backbone interact. energy: -0.001
local terms energy: -20.100889
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -4.339
flat angles C4'-P-C4' energy: -5.525
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -0.478
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: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -32.949428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.949428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.949428 (E_RNA)
where:
Base-Base interactions energy: -11.122
where: short stacking energy: -11.122
Base-Backbone interact. energy: -0.026
local terms energy: -21.800761
where:
bonds (distance) C4'-P energy: -4.673
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -4.444
flat angles P-C4'-P energy: -5.256
tors. eta vs tors. theta energy: -2.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -46.417929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.417929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.417929 (E_RNA)
where:
Base-Base interactions energy: -18.337
where: short stacking energy: -18.337
Base-Backbone interact. energy: -0.001
local terms energy: -28.079839
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.747
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -42.823278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.823278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.823278 (E_RNA)
where:
Base-Base interactions energy: -16.378
where: short stacking energy: -16.378
Base-Backbone interact. energy: -0.000
local terms energy: -26.445644
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -6.057
flat angles P-C4'-P energy: -2.879
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -44.183830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.183830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.183830 (E_RNA)
where:
Base-Base interactions energy: -17.906
where: short stacking energy: -17.906
Base-Backbone interact. energy: -0.000
local terms energy: -26.277409
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.594
flat angles C4'-P-C4' energy: -5.642
flat angles P-C4'-P energy: -4.009
tors. eta vs tors. theta energy: -5.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -42.237591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.237591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.237591 (E_RNA)
where:
Base-Base interactions energy: -18.542
where: short stacking energy: -18.542
Base-Backbone interact. energy: -0.002
local terms energy: -23.693002
where:
bonds (distance) C4'-P energy: -4.869
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.450
flat angles P-C4'-P energy: -2.101
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: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -39.647912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.647912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.647912 (E_RNA)
where:
Base-Base interactions energy: -16.325
where: short stacking energy: -16.325
Base-Backbone interact. energy: -0.002
local terms energy: -23.321598
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.971
flat angles P-C4'-P energy: -3.342
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -37.365434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.365434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.365434 (E_RNA)
where:
Base-Base interactions energy: -20.965
where: short stacking energy: -16.635
Base-Backbone interact. energy: -0.000
local terms energy: -16.400021
where:
bonds (distance) C4'-P energy: -3.311
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -5.855
flat angles P-C4'-P energy: -2.262
tors. eta vs tors. theta energy: -0.766
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: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -38.078523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.078523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.078523 (E_RNA)
where:
Base-Base interactions energy: -12.671
where: short stacking energy: -12.671
Base-Backbone interact. energy: -0.009
local terms energy: -25.398592
where:
bonds (distance) C4'-P energy: -5.845
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -5.940
flat angles P-C4'-P energy: -4.772
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -34.172554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.172554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.172554 (E_RNA)
where:
Base-Base interactions energy: -9.236
where: short stacking energy: -9.236
Base-Backbone interact. energy: -0.000
local terms energy: -24.936400
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -7.147
flat angles C4'-P-C4' energy: -4.945
flat angles P-C4'-P energy: -2.905
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: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -34.723291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.723291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.723291 (E_RNA)
where:
Base-Base interactions energy: -12.791
where: short stacking energy: -12.791
Base-Backbone interact. energy: -0.000
local terms energy: -21.932126
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -4.994
flat angles C4'-P-C4' energy: -5.743
flat angles P-C4'-P energy: -4.040
tors. eta vs tors. theta energy: -1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -31.424119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.424119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.424119 (E_RNA)
where:
Base-Base interactions energy: -11.313
where: short stacking energy: -11.313
Base-Backbone interact. energy: -0.000
local terms energy: -20.110949
where:
bonds (distance) C4'-P energy: -3.299
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -3.468
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: -3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -43.048744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.048744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.048744 (E_RNA)
where:
Base-Base interactions energy: -21.013
where: short stacking energy: -14.971
Base-Backbone interact. energy: -0.002
local terms energy: -22.033745
where:
bonds (distance) C4'-P energy: -4.202
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -4.952
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -2.386
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: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -44.946461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.946461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.946461 (E_RNA)
where:
Base-Base interactions energy: -19.477
where: short stacking energy: -19.477
Base-Backbone interact. energy: -0.000
local terms energy: -25.469699
where:
bonds (distance) C4'-P energy: -4.673
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -5.569
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -49.243876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.243876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.243876 (E_RNA)
where:
Base-Base interactions energy: -20.648
where: short stacking energy: -20.648
Base-Backbone interact. energy: -0.000
local terms energy: -28.595946
where:
bonds (distance) C4'-P energy: -4.835
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.572
flat angles P-C4'-P energy: -5.227
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: 4, replica: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -38.799018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.799018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.799018 (E_RNA)
where:
Base-Base interactions energy: -16.251
where: short stacking energy: -16.251
Base-Backbone interact. energy: -0.012
local terms energy: -22.536362
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -3.599
flat angles P-C4'-P energy: -3.533
tors. eta vs tors. theta energy: -3.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -37.593529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.593529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.593529 (E_RNA)
where:
Base-Base interactions energy: -12.567
where: short stacking energy: -12.567
Base-Backbone interact. energy: -0.008
local terms energy: -25.019026
where:
bonds (distance) C4'-P energy: -4.532
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.111
flat angles P-C4'-P energy: -5.168
tors. eta vs tors. theta energy: -3.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -32.660950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.660950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.660950 (E_RNA)
where:
Base-Base interactions energy: -9.517
where: short stacking energy: -9.517
Base-Backbone interact. energy: -0.001
local terms energy: -23.143055
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.146
flat angles P-C4'-P energy: -2.929
tors. eta vs tors. theta energy: -1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -32.587898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.587898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.587898 (E_RNA)
where:
Base-Base interactions energy: -14.727
where: short stacking energy: -11.090
Base-Backbone interact. energy: -0.483
local terms energy: -17.377762
where:
bonds (distance) C4'-P energy: -3.087
bonds (distance) P-C4' energy: -4.920
flat angles C4'-P-C4' energy: -4.374
flat angles P-C4'-P energy: -2.970
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -34.338562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.338562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.338562 (E_RNA)
where:
Base-Base interactions energy: -11.115
where: short stacking energy: -11.115
Base-Backbone interact. energy: -0.002
local terms energy: -23.221747
where:
bonds (distance) C4'-P energy: -3.328
bonds (distance) P-C4' energy: -5.826
flat angles C4'-P-C4' energy: -5.141
flat angles P-C4'-P energy: -4.322
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -41.948118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.948118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.948118 (E_RNA)
where:
Base-Base interactions energy: -18.725
where: short stacking energy: -9.421
Base-Backbone interact. energy: -0.006
local terms energy: -23.217275
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -6.163
flat angles P-C4'-P energy: -3.063
tors. eta vs tors. theta energy: -1.143
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: 290
Temperature: 1.350000
Total energy: -31.247921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.247921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.247921 (E_RNA)
where:
Base-Base interactions energy: -10.851
where: short stacking energy: -10.851
Base-Backbone interact. energy: -0.027
local terms energy: -20.370268
where:
bonds (distance) C4'-P energy: -4.309
bonds (distance) P-C4' energy: -5.177
flat angles C4'-P-C4' energy: -4.918
flat angles P-C4'-P energy: -3.985
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: 6
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -51.313749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.313749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.313749 (E_RNA)
where:
Base-Base interactions energy: -24.801
where: short stacking energy: -17.872
Base-Backbone interact. energy: -0.017
local terms energy: -26.496023
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.340
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -4.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -44.689277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.689277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.689277 (E_RNA)
where:
Base-Base interactions energy: -20.757
where: short stacking energy: -20.757
Base-Backbone interact. energy: -0.000
local terms energy: -23.932517
where:
bonds (distance) C4'-P energy: -2.906
bonds (distance) P-C4' energy: -5.653
flat angles C4'-P-C4' energy: -6.507
flat angles P-C4'-P energy: -4.994
tors. eta vs tors. theta energy: -3.872
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: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -43.850936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.850936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.850936 (E_RNA)
where:
Base-Base interactions energy: -18.951
where: short stacking energy: -18.951
Base-Backbone interact. energy: -0.000
local terms energy: -24.899993
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -6.107
flat angles P-C4'-P energy: -3.236
tors. eta vs tors. theta energy: -4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -38.861840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.861840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.861840 (E_RNA)
where:
Base-Base interactions energy: -17.511
where: short stacking energy: -17.511
Base-Backbone interact. energy: -0.002
local terms energy: -21.349315
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -5.273
flat angles C4'-P-C4' energy: -6.226
flat angles P-C4'-P energy: -1.687
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -37.548141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.548141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.548141 (E_RNA)
where:
Base-Base interactions energy: -14.629
where: short stacking energy: -14.629
Base-Backbone interact. energy: -0.005
local terms energy: -22.914268
where:
bonds (distance) C4'-P energy: -4.694
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -5.971
flat angles P-C4'-P energy: -2.368
tors. eta vs tors. theta energy: -3.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -46.617505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.617505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.617505 (E_RNA)
where:
Base-Base interactions energy: -21.459
where: short stacking energy: -21.459
Base-Backbone interact. energy: -0.000
local terms energy: -25.158882
where:
bonds (distance) C4'-P energy: -3.439
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -5.795
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -5.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -39.969244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.969244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.969244 (E_RNA)
where:
Base-Base interactions energy: -15.410
where: short stacking energy: -15.410
Base-Backbone interact. energy: -0.094
local terms energy: -24.465096
where:
bonds (distance) C4'-P energy: -6.139
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -6.206
flat angles P-C4'-P energy: -2.950
tors. eta vs tors. theta energy: -2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -39.600479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.600479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.600479 (E_RNA)
where:
Base-Base interactions energy: -16.211
where: short stacking energy: -16.211
Base-Backbone interact. energy: -0.056
local terms energy: -23.333327
where:
bonds (distance) C4'-P energy: -3.312
bonds (distance) P-C4' energy: -6.351
flat angles C4'-P-C4' energy: -5.291
flat angles P-C4'-P energy: -3.889
tors. eta vs tors. theta energy: -4.491
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: 9, replica: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -33.384458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.384458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.384458 (E_RNA)
where:
Base-Base interactions energy: -13.615
where: short stacking energy: -13.615
Base-Backbone interact. energy: -0.000
local terms energy: -19.769641
where:
bonds (distance) C4'-P energy: -4.090
bonds (distance) P-C4' energy: -5.273
flat angles C4'-P-C4' energy: -4.575
flat angles P-C4'-P energy: -2.587
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -33.184873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.184873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.184873 (E_RNA)
where:
Base-Base interactions energy: -12.994
where: short stacking energy: -12.994
Base-Backbone interact. energy: -0.000
local terms energy: -20.190373
where:
bonds (distance) C4'-P energy: -3.415
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.171
flat angles P-C4'-P energy: -3.036
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -54.803832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.803832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.803832 (E_RNA)
where:
Base-Base interactions energy: -25.204
where: short stacking energy: -25.204
Base-Backbone interact. energy: -0.000
local terms energy: -29.599355
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -6.234
flat angles P-C4'-P energy: -3.064
tors. eta vs tors. theta energy: -8.043
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: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -48.961154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.961154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.961154 (E_RNA)
where:
Base-Base interactions energy: -22.454
where: short stacking energy: -16.913
Base-Backbone interact. energy: -0.004
local terms energy: -26.503713
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.955
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: -3.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -37.784340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.784340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.784340 (E_RNA)
where:
Base-Base interactions energy: -14.531
where: short stacking energy: -14.531
Base-Backbone interact. energy: -0.001
local terms energy: -23.252247
where:
bonds (distance) C4'-P energy: -5.220
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -4.505
flat angles P-C4'-P energy: -3.447
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -41.097228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.097228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.097228 (E_RNA)
where:
Base-Base interactions energy: -14.343
where: short stacking energy: -14.343
Base-Backbone interact. energy: -0.008
local terms energy: -26.746061
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -4.533
flat angles P-C4'-P energy: -4.735
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: 5, replica: 2
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -50.247029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.247029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.247029 (E_RNA)
where:
Base-Base interactions energy: -23.703
where: short stacking energy: -23.703
Base-Backbone interact. energy: -0.000
local terms energy: -26.544330
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -5.604
flat angles C4'-P-C4' energy: -5.454
flat angles P-C4'-P energy: -4.465
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: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -44.634006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.634006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.634006 (E_RNA)
where:
Base-Base interactions energy: -18.625
where: short stacking energy: -18.625
Base-Backbone interact. energy: -0.001
local terms energy: -26.007529
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -4.426
flat angles C4'-P-C4' energy: -5.232
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -38.635631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.635631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.635631 (E_RNA)
where:
Base-Base interactions energy: -17.806
where: short stacking energy: -17.806
Base-Backbone interact. energy: -0.000
local terms energy: -20.829762
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -3.278
flat angles C4'-P-C4' energy: -5.355
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -41.744913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.744913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.744913 (E_RNA)
where:
Base-Base interactions energy: -17.870
where: short stacking energy: -17.870
Base-Backbone interact. energy: -0.000
local terms energy: -23.875221
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -3.088
flat angles C4'-P-C4' energy: -4.103
flat angles P-C4'-P energy: -4.171
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: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -32.817824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.817824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.817824 (E_RNA)
where:
Base-Base interactions energy: -15.988
where: short stacking energy: -5.537
Base-Backbone interact. energy: -0.117
local terms energy: -16.712766
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -4.924
flat angles C4'-P-C4' energy: -4.863
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: 2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -39.917793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.917793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.917793 (E_RNA)
where:
Base-Base interactions energy: -17.569
where: short stacking energy: -17.569
Base-Backbone interact. energy: -0.002
local terms energy: -22.347053
where:
bonds (distance) C4'-P energy: -4.673
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -4.686
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -54.324659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.324659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.324659 (E_RNA)
where:
Base-Base interactions energy: -25.195
where: short stacking energy: -25.195
Base-Backbone interact. energy: -0.000
local terms energy: -29.129546
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -5.674
flat angles C4'-P-C4' energy: -5.197
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -6.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -49.937166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.937166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.937166 (E_RNA)
where:
Base-Base interactions energy: -27.838
where: short stacking energy: -11.106
Base-Backbone interact. energy: -0.081
local terms energy: -22.017951
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -5.730
flat angles C4'-P-C4' energy: -4.685
flat angles P-C4'-P energy: -3.472
tors. eta vs tors. theta energy: -2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -48.800095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.800095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.800095 (E_RNA)
where:
Base-Base interactions energy: -20.487
where: short stacking energy: -20.487
Base-Backbone interact. energy: -0.000
local terms energy: -28.313117
where:
bonds (distance) C4'-P energy: -5.303
bonds (distance) P-C4' energy: -5.442
flat angles C4'-P-C4' energy: -6.299
flat angles P-C4'-P energy: -5.211
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: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -45.789587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.789587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.789587 (E_RNA)
where:
Base-Base interactions energy: -21.645
where: short stacking energy: -21.645
Base-Backbone interact. energy: -0.000
local terms energy: -24.144202
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -5.997
flat angles P-C4'-P energy: -1.771
tors. eta vs tors. theta energy: -4.263
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: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -44.439734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.439734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.439734 (E_RNA)
where:
Base-Base interactions energy: -23.847
where: short stacking energy: -15.726
Base-Backbone interact. energy: -0.061
local terms energy: -20.531284
where:
bonds (distance) C4'-P energy: -3.229
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.155
flat angles P-C4'-P energy: -3.347
tors. eta vs tors. theta energy: -1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -49.539866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.539866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.539866 (E_RNA)
where:
Base-Base interactions energy: -28.625
where: short stacking energy: -14.871
Base-Backbone interact. energy: -0.005
local terms energy: -20.909778
where:
bonds (distance) C4'-P energy: -2.624
bonds (distance) P-C4' energy: -5.537
flat angles C4'-P-C4' energy: -6.058
flat angles P-C4'-P energy: -3.447
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -35.057458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.057458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.057458 (E_RNA)
where:
Base-Base interactions energy: -10.816
where: short stacking energy: -10.816
Base-Backbone interact. energy: -0.000
local terms energy: -24.241674
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -4.395
flat angles P-C4'-P energy: -3.055
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: 8, replica: 9
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -36.783039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.783039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.783039 (E_RNA)
where:
Base-Base interactions energy: -14.517
where: short stacking energy: -14.517
Base-Backbone interact. energy: -0.003
local terms energy: -22.262863
where:
bonds (distance) C4'-P energy: -4.268
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -5.815
flat angles P-C4'-P energy: -3.872
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: 9, replica: 3
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -40.802852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.802852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.802852 (E_RNA)
where:
Base-Base interactions energy: -15.732
where: short stacking energy: -15.732
Base-Backbone interact. energy: -0.091
local terms energy: -24.980403
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -5.594
flat angles C4'-P-C4' energy: -5.421
flat angles P-C4'-P energy: -3.516
tors. eta vs tors. theta energy: -4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -34.322866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.322866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.322866 (E_RNA)
where:
Base-Base interactions energy: -11.095
where: short stacking energy: -11.095
Base-Backbone interact. energy: -0.000
local terms energy: -23.227989
where:
bonds (distance) C4'-P energy: -4.735
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.405
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -53.294153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.294153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.294153 (E_RNA)
where:
Base-Base interactions energy: -23.961
where: short stacking energy: -23.961
Base-Backbone interact. energy: -0.000
local terms energy: -29.333627
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.639
flat angles P-C4'-P energy: -4.648
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -49.371529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.371529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.371529 (E_RNA)
where:
Base-Base interactions energy: -24.689
where: short stacking energy: -24.689
Base-Backbone interact. energy: -0.000
local terms energy: -24.682635
where:
bonds (distance) C4'-P energy: -4.763
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: -2.099
tors. eta vs tors. theta energy: -6.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -46.090340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.090340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.090340 (E_RNA)
where:
Base-Base interactions energy: -19.093
where: short stacking energy: -19.093
Base-Backbone interact. energy: -0.000
local terms energy: -26.997376
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.931
flat angles C4'-P-C4' energy: -4.790
flat angles P-C4'-P energy: -4.502
tors. eta vs tors. theta energy: -5.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -48.633613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.633613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.633613 (E_RNA)
where:
Base-Base interactions energy: -21.762
where: short stacking energy: -21.762
Base-Backbone interact. energy: -0.000
local terms energy: -26.871304
where:
bonds (distance) C4'-P energy: -4.416
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -5.856
flat angles P-C4'-P energy: -4.926
tors. eta vs tors. theta energy: -5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -33.753104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.753104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.753104 (E_RNA)
where:
Base-Base interactions energy: -9.968
where: short stacking energy: -9.968
Base-Backbone interact. energy: -0.013
local terms energy: -23.772114
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.009
flat angles P-C4'-P energy: -4.239
tors. eta vs tors. theta energy: -2.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -37.775495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.775495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.775495 (E_RNA)
where:
Base-Base interactions energy: -14.951
where: short stacking energy: -14.951
Base-Backbone interact. energy: -0.000
local terms energy: -22.824286
where:
bonds (distance) C4'-P energy: -5.037
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -6.309
flat angles P-C4'-P energy: -2.045
tors. eta vs tors. theta energy: -3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -36.545620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.545620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.545620 (E_RNA)
where:
Base-Base interactions energy: -13.225
where: short stacking energy: -13.225
Base-Backbone interact. energy: -0.000
local terms energy: -23.320530
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.804
flat angles P-C4'-P energy: -4.786
tors. eta vs tors. theta energy: -0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -35.907861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.907861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.907861 (E_RNA)
where:
Base-Base interactions energy: -15.270
where: short stacking energy: -15.270
Base-Backbone interact. energy: -0.012
local terms energy: -20.626005
where:
bonds (distance) C4'-P energy: -4.839
bonds (distance) P-C4' energy: -5.040
flat angles C4'-P-C4' energy: -4.709
flat angles P-C4'-P energy: -3.341
tors. eta vs tors. theta energy: -2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -35.242383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.242383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.242383 (E_RNA)
where:
Base-Base interactions energy: -12.924
where: short stacking energy: -9.558
Base-Backbone interact. energy: -0.005
local terms energy: -22.313500
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -1.667
flat angles P-C4'-P energy: -3.901
tors. eta vs tors. theta energy: -4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -33.280571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.280571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.280571 (E_RNA)
where:
Base-Base interactions energy: -12.020
where: short stacking energy: -12.020
Base-Backbone interact. energy: -0.092
local terms energy: -21.168573
where:
bonds (distance) C4'-P energy: -4.540
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -3.387
flat angles P-C4'-P energy: -3.101
tors. eta vs tors. theta energy: -3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -44.597282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.597282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.597282 (E_RNA)
where:
Base-Base interactions energy: -22.823
where: short stacking energy: -11.313
Base-Backbone interact. energy: -0.051
local terms energy: -21.723357
where:
bonds (distance) C4'-P energy: -4.562
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -4.773
flat angles P-C4'-P energy: -3.794
tors. eta vs tors. theta energy: -2.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -53.475747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.475747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.475747 (E_RNA)
where:
Base-Base interactions energy: -30.019
where: short stacking energy: -16.401
Base-Backbone interact. energy: -0.082
local terms energy: -23.374522
where:
bonds (distance) C4'-P energy: -4.789
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -6.305
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: -2.207
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: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -51.388968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.388968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.388968 (E_RNA)
where:
Base-Base interactions energy: -23.365
where: short stacking energy: -23.365
Base-Backbone interact. energy: -0.000
local terms energy: -28.024297
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.844
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -6.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -41.475487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.475487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.475487 (E_RNA)
where:
Base-Base interactions energy: -19.770
where: short stacking energy: -15.870
Base-Backbone interact. energy: -0.000
local terms energy: -21.705199
where:
bonds (distance) C4'-P energy: -4.508
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -2.751
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -45.856769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.856769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.856769 (E_RNA)
where:
Base-Base interactions energy: -24.295
where: short stacking energy: -11.814
Base-Backbone interact. energy: -0.000
local terms energy: -21.561775
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -5.215
flat angles P-C4'-P energy: -1.833
tors. eta vs tors. theta energy: -1.999
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: 6, replica: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -45.801458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.801458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.801458 (E_RNA)
where:
Base-Base interactions energy: -24.208
where: short stacking energy: -24.208
Base-Backbone interact. energy: -0.000
local terms energy: -21.592917
where:
bonds (distance) C4'-P energy: -2.347
bonds (distance) P-C4' energy: -3.911
flat angles C4'-P-C4' energy: -5.007
flat angles P-C4'-P energy: -2.844
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: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -36.873093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.873093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.873093 (E_RNA)
where:
Base-Base interactions energy: -15.142
where: short stacking energy: -12.440
Base-Backbone interact. energy: -0.002
local terms energy: -21.729172
where:
bonds (distance) C4'-P energy: -3.904
bonds (distance) P-C4' energy: -5.931
flat angles C4'-P-C4' energy: -6.151
flat angles P-C4'-P energy: -3.266
tors. eta vs tors. theta energy: -2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -30.598924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.598924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.598924 (E_RNA)
where:
Base-Base interactions energy: -9.478
where: short stacking energy: -9.478
Base-Backbone interact. energy: -0.000
local terms energy: -21.120452
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -3.950
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -1.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -33.152785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.152785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.152785 (E_RNA)
where:
Base-Base interactions energy: -11.082
where: short stacking energy: -9.725
Base-Backbone interact. energy: -0.093
local terms energy: -21.977680
where:
bonds (distance) C4'-P energy: -4.647
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.461
flat angles P-C4'-P energy: -4.795
tors. eta vs tors. theta energy: -1.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -29.821894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.821894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.821894 (E_RNA)
where:
Base-Base interactions energy: -8.378
where: short stacking energy: -8.378
Base-Backbone interact. energy: -0.763
local terms energy: -20.680266
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -3.400
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -1.540
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: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -54.896780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.896780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.896780 (E_RNA)
where:
Base-Base interactions energy: -31.981
where: short stacking energy: -17.419
Base-Backbone interact. energy: -0.008
local terms energy: -22.907451
where:
bonds (distance) C4'-P energy: -4.682
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.749
flat angles P-C4'-P energy: -4.680
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: 2, replica: 6
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -51.161511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.161511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.161511 (E_RNA)
where:
Base-Base interactions energy: -22.087
where: short stacking energy: -22.087
Base-Backbone interact. energy: -0.000
local terms energy: -29.074591
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -5.995
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: -7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -48.813732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.813732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.813732 (E_RNA)
where:
Base-Base interactions energy: -21.198
where: short stacking energy: -21.198
Base-Backbone interact. energy: -0.000
local terms energy: -27.616090
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.156
flat angles C4'-P-C4' energy: -6.412
flat angles P-C4'-P energy: -1.570
tors. eta vs tors. theta energy: -7.658
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: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -46.729058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.729058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.729058 (E_RNA)
where:
Base-Base interactions energy: -24.136
where: short stacking energy: -16.303
Base-Backbone interact. energy: -0.002
local terms energy: -22.591724
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -4.230
flat angles C4'-P-C4' energy: -3.935
flat angles P-C4'-P energy: -3.287
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -37.005605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.005605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.005605 (E_RNA)
where:
Base-Base interactions energy: -12.041
where: short stacking energy: -12.041
Base-Backbone interact. energy: -0.001
local terms energy: -24.963783
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -6.065
flat angles P-C4'-P energy: -4.191
tors. eta vs tors. theta energy: -1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -39.833590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.833590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.833590 (E_RNA)
where:
Base-Base interactions energy: -17.506
where: short stacking energy: -17.506
Base-Backbone interact. energy: -0.000
local terms energy: -22.327267
where:
bonds (distance) C4'-P energy: -4.557
bonds (distance) P-C4' energy: -2.414
flat angles C4'-P-C4' energy: -5.043
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -4.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -40.638423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.638423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.638423 (E_RNA)
where:
Base-Base interactions energy: -17.519
where: short stacking energy: -17.519
Base-Backbone interact. energy: -0.000
local terms energy: -23.119290
where:
bonds (distance) C4'-P energy: -4.686
bonds (distance) P-C4' energy: -4.165
flat angles C4'-P-C4' energy: -5.115
flat angles P-C4'-P energy: -3.456
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -32.859543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.859543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.859543 (E_RNA)
where:
Base-Base interactions energy: -10.884
where: short stacking energy: -11.484
Base-Backbone interact. energy: -0.000
local terms energy: -21.974862
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -4.345
flat angles P-C4'-P energy: -3.039
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -45.254112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.254112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.254112 (E_RNA)
where:
Base-Base interactions energy: -19.498
where: short stacking energy: -19.498
Base-Backbone interact. energy: -0.000
local terms energy: -25.755719
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -3.319
flat angles C4'-P-C4' energy: -5.970
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: -5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -38.157181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.157181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.157181 (E_RNA)
where:
Base-Base interactions energy: -14.847
where: short stacking energy: -14.847
Base-Backbone interact. energy: -0.000
local terms energy: -23.309870
where:
bonds (distance) C4'-P energy: -3.220
bonds (distance) P-C4' energy: -5.668
flat angles C4'-P-C4' energy: -5.643
flat angles P-C4'-P energy: -3.651
tors. eta vs tors. theta energy: -5.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -52.620947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.620947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.620947 (E_RNA)
where:
Base-Base interactions energy: -30.358
where: short stacking energy: -15.400
Base-Backbone interact. energy: -0.033
local terms energy: -22.229867
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -4.786
flat angles P-C4'-P energy: -2.766
tors. eta vs tors. theta energy: -3.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -41.868191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.868191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.868191 (E_RNA)
where:
Base-Base interactions energy: -16.326
where: short stacking energy: -16.326
Base-Backbone interact. energy: -0.000
local terms energy: -25.541723
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -3.626
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: 3, replica: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -42.533502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.533502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.533502 (E_RNA)
where:
Base-Base interactions energy: -17.061
where: short stacking energy: -17.061
Base-Backbone interact. energy: -0.000
local terms energy: -25.472154
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.431
flat angles P-C4'-P energy: -2.231
tors. eta vs tors. theta energy: -6.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -40.593691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.593691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.593691 (E_RNA)
where:
Base-Base interactions energy: -20.766
where: short stacking energy: -7.534
Base-Backbone interact. energy: -0.024
local terms energy: -19.803474
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -3.496
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: 0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -45.828846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.828846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.828846 (E_RNA)
where:
Base-Base interactions energy: -25.365
where: short stacking energy: -14.323
Base-Backbone interact. energy: -0.105
local terms energy: -20.358981
where:
bonds (distance) C4'-P energy: -5.252
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.470
flat angles P-C4'-P energy: -2.743
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: 6, replica: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -38.994886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.994886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.994886 (E_RNA)
where:
Base-Base interactions energy: -16.460
where: short stacking energy: -16.460
Base-Backbone interact. energy: -0.162
local terms energy: -22.372731
where:
bonds (distance) C4'-P energy: -5.161
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -3.894
flat angles P-C4'-P energy: -2.952
tors. eta vs tors. theta energy: -3.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -41.336629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.336629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.336629 (E_RNA)
where:
Base-Base interactions energy: -19.716
where: short stacking energy: -19.716
Base-Backbone interact. energy: -0.000
local terms energy: -21.620167
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -0.658
flat angles C4'-P-C4' energy: -5.351
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: -4.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -35.972861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.972861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.972861 (E_RNA)
where:
Base-Base interactions energy: -12.717
where: short stacking energy: -12.717
Base-Backbone interact. energy: 0.298
local terms energy: -23.553989
where:
bonds (distance) C4'-P energy: -4.508
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -5.276
flat angles P-C4'-P energy: -2.960
tors. eta vs tors. theta energy: -4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -32.398951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.398951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.398951 (E_RNA)
where:
Base-Base interactions energy: -9.031
where: short stacking energy: -9.031
Base-Backbone interact. energy: -0.008
local terms energy: -23.359481
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -5.767
flat angles C4'-P-C4' energy: -5.433
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -37.742122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.742122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.742122 (E_RNA)
where:
Base-Base interactions energy: -14.017
where: short stacking energy: -14.017
Base-Backbone interact. energy: -0.008
local terms energy: -23.717902
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -3.282
flat angles P-C4'-P energy: -4.741
tors. eta vs tors. theta energy: -4.015
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: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -47.586362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.586362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.586362 (E_RNA)
where:
Base-Base interactions energy: -24.367
where: short stacking energy: -7.832
Base-Backbone interact. energy: -0.051
local terms energy: -23.168396
where:
bonds (distance) C4'-P energy: -4.893
bonds (distance) P-C4' energy: -5.286
flat angles C4'-P-C4' energy: -6.480
flat angles P-C4'-P energy: -3.753
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -43.453592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.453592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.453592 (E_RNA)
where:
Base-Base interactions energy: -17.662
where: short stacking energy: -17.662
Base-Backbone interact. energy: -0.001
local terms energy: -25.790716
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.970
flat angles P-C4'-P energy: -2.700
tors. eta vs tors. theta energy: -4.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -40.895067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.895067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.895067 (E_RNA)
where:
Base-Base interactions energy: -19.321
where: short stacking energy: -19.321
Base-Backbone interact. energy: -0.000
local terms energy: -21.574088
where:
bonds (distance) C4'-P energy: -4.223
bonds (distance) P-C4' energy: -5.991
flat angles C4'-P-C4' energy: -3.557
flat angles P-C4'-P energy: -4.354
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -42.139518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.139518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.139518 (E_RNA)
where:
Base-Base interactions energy: -18.353
where: short stacking energy: -18.353
Base-Backbone interact. energy: -0.000
local terms energy: -23.786308
where:
bonds (distance) C4'-P energy: -4.242
bonds (distance) P-C4' energy: -5.028
flat angles C4'-P-C4' energy: -5.424
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -41.573788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.573788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.573788 (E_RNA)
where:
Base-Base interactions energy: -16.486
where: short stacking energy: -16.486
Base-Backbone interact. energy: -0.013
local terms energy: -25.075020
where:
bonds (distance) C4'-P energy: -4.624
bonds (distance) P-C4' energy: -6.442
flat angles C4'-P-C4' energy: -5.921
flat angles P-C4'-P energy: -2.532
tors. eta vs tors. theta energy: -5.557
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: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -38.539397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.539397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.539397 (E_RNA)
where:
Base-Base interactions energy: -17.473
where: short stacking energy: -17.473
Base-Backbone interact. energy: -0.000
local terms energy: -21.066464
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -3.686
flat angles P-C4'-P energy: -2.907
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -37.925345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.925345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.925345 (E_RNA)
where:
Base-Base interactions energy: -17.152
where: short stacking energy: -17.152
Base-Backbone interact. energy: -0.008
local terms energy: -20.764870
where:
bonds (distance) C4'-P energy: -3.936
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.949
flat angles P-C4'-P energy: -2.212
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -34.158261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.158261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.158261 (E_RNA)
where:
Base-Base interactions energy: -14.403
where: short stacking energy: -14.403
Base-Backbone interact. energy: -0.001
local terms energy: -19.754253
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -3.983
flat angles P-C4'-P energy: -3.411
tors. eta vs tors. theta energy: -1.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -38.298488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.298488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.298488 (E_RNA)
where:
Base-Base interactions energy: -15.672
where: short stacking energy: -15.672
Base-Backbone interact. energy: -0.002
local terms energy: -22.625361
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -6.269
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: -1.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -41.684949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.684949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.684949 (E_RNA)
where:
Base-Base interactions energy: -18.768
where: short stacking energy: -17.903
Base-Backbone interact. energy: -0.000
local terms energy: -22.917317
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -4.917
flat angles C4'-P-C4' energy: -3.700
flat angles P-C4'-P energy: -4.408
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -47.338945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.338945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.338945 (E_RNA)
where:
Base-Base interactions energy: -21.880
where: short stacking energy: -21.880
Base-Backbone interact. energy: -0.016
local terms energy: -25.442852
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.208
flat angles P-C4'-P energy: -4.397
tors. eta vs tors. theta energy: -3.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -48.157016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.157016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.157016 (E_RNA)
where:
Base-Base interactions energy: -22.037
where: short stacking energy: -19.726
Base-Backbone interact. energy: -0.006
local terms energy: -26.113737
where:
bonds (distance) C4'-P energy: -5.128
bonds (distance) P-C4' energy: -5.892
flat angles C4'-P-C4' energy: -6.344
flat angles P-C4'-P energy: -4.092
tors. eta vs tors. theta energy: -4.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -41.693297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.693297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.693297 (E_RNA)
where:
Base-Base interactions energy: -18.166
where: short stacking energy: -14.568
Base-Backbone interact. energy: -1.066
local terms energy: -22.460947
where:
bonds (distance) C4'-P energy: -3.647
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -4.967
flat angles P-C4'-P energy: -3.790
tors. eta vs tors. theta energy: -2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -42.395282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.395282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.395282 (E_RNA)
where:
Base-Base interactions energy: -16.779
where: short stacking energy: -16.779
Base-Backbone interact. energy: -0.000
local terms energy: -25.616521
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.341
flat angles P-C4'-P energy: -4.095
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: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -54.721062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.721062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.721062 (E_RNA)
where:
Base-Base interactions energy: -25.036
where: short stacking energy: -25.036
Base-Backbone interact. energy: -0.000
local terms energy: -29.684976
where:
bonds (distance) C4'-P energy: -4.330
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -6.519
flat angles P-C4'-P energy: -4.786
tors. eta vs tors. theta energy: -7.596
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: 8
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -33.018830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.018830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.018830 (E_RNA)
where:
Base-Base interactions energy: -10.832
where: short stacking energy: -6.548
Base-Backbone interact. energy: -0.056
local terms energy: -22.130360
where:
bonds (distance) C4'-P energy: -4.185
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -6.215
flat angles P-C4'-P energy: -5.011
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: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -37.903800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.903800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.903800 (E_RNA)
where:
Base-Base interactions energy: -17.525
where: short stacking energy: -17.525
Base-Backbone interact. energy: -0.032
local terms energy: -20.346671
where:
bonds (distance) C4'-P energy: -1.709
bonds (distance) P-C4' energy: -4.634
flat angles C4'-P-C4' energy: -6.254
flat angles P-C4'-P energy: -3.595
tors. eta vs tors. theta energy: -4.154
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: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -33.350749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.350749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.350749 (E_RNA)
where:
Base-Base interactions energy: -14.556
where: short stacking energy: -14.556
Base-Backbone interact. energy: -0.003
local terms energy: -18.791256
where:
bonds (distance) C4'-P energy: -2.474
bonds (distance) P-C4' energy: -5.189
flat angles C4'-P-C4' energy: -4.494
flat angles P-C4'-P energy: -4.118
tors. eta vs tors. theta energy: -2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -30.646711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.646711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.646711 (E_RNA)
where:
Base-Base interactions energy: -14.346
where: short stacking energy: -14.346
Base-Backbone interact. energy: -0.000
local terms energy: -16.301176
where:
bonds (distance) C4'-P energy: -3.622
bonds (distance) P-C4' energy: -6.889
flat angles C4'-P-C4' energy: -1.584
flat angles P-C4'-P energy: -1.749
tors. eta vs tors. theta energy: -2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -30.739485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.739485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.739485 (E_RNA)
where:
Base-Base interactions energy: -10.964
where: short stacking energy: -10.964
Base-Backbone interact. energy: -0.000
local terms energy: -19.775484
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.435
flat angles C4'-P-C4' energy: -3.496
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: -1.991
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: 1, replica: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -54.899041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.899041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.899041 (E_RNA)
where:
Base-Base interactions energy: -23.224
where: short stacking energy: -23.224
Base-Backbone interact. energy: -0.000
local terms energy: -31.674954
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.202
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -43.248008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.248008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.248008 (E_RNA)
where:
Base-Base interactions energy: -17.061
where: short stacking energy: -17.061
Base-Backbone interact. energy: -0.000
local terms energy: -26.186663
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.557
flat angles P-C4'-P energy: -2.322
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -44.608961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.608961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.608961 (E_RNA)
where:
Base-Base interactions energy: -20.211
where: short stacking energy: -20.211
Base-Backbone interact. energy: -0.000
local terms energy: -24.398009
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -3.025
flat angles P-C4'-P energy: -2.879
tors. eta vs tors. theta energy: -5.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -45.295715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.295715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.295715 (E_RNA)
where:
Base-Base interactions energy: -17.216
where: short stacking energy: -17.216
Base-Backbone interact. energy: -0.000
local terms energy: -28.079639
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -4.881
flat angles P-C4'-P energy: -4.186
tors. eta vs tors. theta energy: -6.397
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: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -44.467577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.467577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.467577 (E_RNA)
where:
Base-Base interactions energy: -22.178
where: short stacking energy: -11.424
Base-Backbone interact. energy: -0.045
local terms energy: -22.244057
where:
bonds (distance) C4'-P energy: -4.156
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.236
flat angles P-C4'-P energy: -3.310
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -38.651578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.651578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.651578 (E_RNA)
where:
Base-Base interactions energy: -16.928
where: short stacking energy: -12.469
Base-Backbone interact. energy: -0.016
local terms energy: -21.707154
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -4.615
flat angles P-C4'-P energy: -1.618
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -35.031868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.031868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.031868 (E_RNA)
where:
Base-Base interactions energy: -11.991
where: short stacking energy: -11.991
Base-Backbone interact. energy: -0.001
local terms energy: -23.040007
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.209
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -35.868762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.868762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.868762 (E_RNA)
where:
Base-Base interactions energy: -13.755
where: short stacking energy: -13.755
Base-Backbone interact. energy: -0.005
local terms energy: -22.108753
where:
bonds (distance) C4'-P energy: -4.409
bonds (distance) P-C4' energy: -4.643
flat angles C4'-P-C4' energy: -5.350
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -2.313
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: 9, replica: 3
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -34.564427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.564427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.564427 (E_RNA)
where:
Base-Base interactions energy: -14.499
where: short stacking energy: -14.499
Base-Backbone interact. energy: -0.015
local terms energy: -20.050430
where:
bonds (distance) C4'-P energy: -4.231
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -4.046
flat angles P-C4'-P energy: -2.403
tors. eta vs tors. theta energy: -2.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -31.325313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.325313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.325313 (E_RNA)
where:
Base-Base interactions energy: -12.596
where: short stacking energy: -12.596
Base-Backbone interact. energy: -0.023
local terms energy: -18.706552
where:
bonds (distance) C4'-P energy: -0.566
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -3.245
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -3.488
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: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -52.958318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.958318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.958318 (E_RNA)
where:
Base-Base interactions energy: -25.975
where: short stacking energy: -25.975
Base-Backbone interact. energy: -0.000
local terms energy: -26.983609
where:
bonds (distance) C4'-P energy: -4.397
bonds (distance) P-C4' energy: -5.435
flat angles C4'-P-C4' energy: -5.990
flat angles P-C4'-P energy: -3.342
tors. eta vs tors. theta energy: -7.819
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: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -48.639603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.639603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.639603 (E_RNA)
where:
Base-Base interactions energy: -24.210
where: short stacking energy: -24.210
Base-Backbone interact. energy: -0.000
local terms energy: -24.429548
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -5.209
flat angles C4'-P-C4' energy: -5.722
flat angles P-C4'-P energy: -2.443
tors. eta vs tors. theta energy: -5.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -53.780876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.780876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.780876 (E_RNA)
where:
Base-Base interactions energy: -26.975
where: short stacking energy: -22.317
Base-Backbone interact. energy: -0.364
local terms energy: -26.441769
where:
bonds (distance) C4'-P energy: -5.465
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.240
flat angles P-C4'-P energy: -4.038
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: 4, replica: 5
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -44.955984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.955984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.955984 (E_RNA)
where:
Base-Base interactions energy: -22.284
where: short stacking energy: -17.476
Base-Backbone interact. energy: -0.109
local terms energy: -22.562732
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -4.554
flat angles P-C4'-P energy: -3.717
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: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -42.921415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.921415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.921415 (E_RNA)
where:
Base-Base interactions energy: -18.378
where: short stacking energy: -18.378
Base-Backbone interact. energy: 1.185
local terms energy: -25.728652
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.956
flat angles P-C4'-P energy: -4.689
tors. eta vs tors. theta energy: -4.083
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: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -38.390628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.390628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.390628 (E_RNA)
where:
Base-Base interactions energy: -17.548
where: short stacking energy: -12.623
Base-Backbone interact. energy: -0.209
local terms energy: -20.633658
where:
bonds (distance) C4'-P energy: -3.771
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -6.313
flat angles P-C4'-P energy: -2.505
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: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -39.458593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.458593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.458593 (E_RNA)
where:
Base-Base interactions energy: -15.081
where: short stacking energy: -15.081
Base-Backbone interact. energy: -0.000
local terms energy: -24.377452
where:
bonds (distance) C4'-P energy: -4.156
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -4.287
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -7.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -38.274211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.274211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.274211 (E_RNA)
where:
Base-Base interactions energy: -15.540
where: short stacking energy: -15.540
Base-Backbone interact. energy: -0.002
local terms energy: -22.732407
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -4.423
flat angles C4'-P-C4' energy: -5.550
flat angles P-C4'-P energy: -4.468
tors. eta vs tors. theta energy: -2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -38.727208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.727208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.727208 (E_RNA)
where:
Base-Base interactions energy: -16.752
where: short stacking energy: -16.752
Base-Backbone interact. energy: -0.000
local terms energy: -21.975198
where:
bonds (distance) C4'-P energy: -5.225
bonds (distance) P-C4' energy: -5.506
flat angles C4'-P-C4' energy: -3.389
flat angles P-C4'-P energy: -2.032
tors. eta vs tors. theta energy: -5.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -32.776157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.776157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.776157 (E_RNA)
where:
Base-Base interactions energy: -8.694
where: short stacking energy: -8.219
Base-Backbone interact. energy: -0.037
local terms energy: -24.045219
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.306
flat angles P-C4'-P energy: -3.920
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: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -41.002958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.002958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.002958 (E_RNA)
where:
Base-Base interactions energy: -15.373
where: short stacking energy: -15.373
Base-Backbone interact. energy: -0.075
local terms energy: -25.555465
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -4.988
flat angles C4'-P-C4' energy: -5.397
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -4.640
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: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -44.077131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.077131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.077131 (E_RNA)
where:
Base-Base interactions energy: -17.199
where: short stacking energy: -13.147
Base-Backbone interact. energy: -0.262
local terms energy: -26.615979
where:
bonds (distance) C4'-P energy: -5.982
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.887
flat angles P-C4'-P energy: -3.464
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -53.747440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.747440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.747440 (E_RNA)
where:
Base-Base interactions energy: -30.580
where: short stacking energy: -18.449
Base-Backbone interact. energy: -0.002
local terms energy: -23.165322
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -6.559
flat angles P-C4'-P energy: -3.110
tors. eta vs tors. theta energy: -1.537
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: 4, replica: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -37.704974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.704974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.704974 (E_RNA)
where:
Base-Base interactions energy: -16.121
where: short stacking energy: -16.121
Base-Backbone interact. energy: -0.012
local terms energy: -21.571312
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -4.423
flat angles C4'-P-C4' energy: -5.545
flat angles P-C4'-P energy: -1.824
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: 5, replica: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -42.353176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.353176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.353176 (E_RNA)
where:
Base-Base interactions energy: -18.175
where: short stacking energy: -18.175
Base-Backbone interact. energy: -0.000
local terms energy: -24.178578
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -5.852
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -37.325324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.325324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.325324 (E_RNA)
where:
Base-Base interactions energy: -13.508
where: short stacking energy: -13.508
Base-Backbone interact. energy: -0.003
local terms energy: -23.815097
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -5.053
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -35.435528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.435528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.435528 (E_RNA)
where:
Base-Base interactions energy: -13.427
where: short stacking energy: -13.427
Base-Backbone interact. energy: -0.004
local terms energy: -22.004185
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.338
flat angles P-C4'-P energy: -4.275
tors. eta vs tors. theta energy: -0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -33.565098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.565098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.565098 (E_RNA)
where:
Base-Base interactions energy: -12.231
where: short stacking energy: -12.231
Base-Backbone interact. energy: -0.040
local terms energy: -21.293954
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -5.040
flat angles C4'-P-C4' energy: -4.416
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: -1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -31.819878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.819878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.819878 (E_RNA)
where:
Base-Base interactions energy: -13.863
where: short stacking energy: -13.180
Base-Backbone interact. energy: -0.274
local terms energy: -17.683222
where:
bonds (distance) C4'-P energy: -2.959
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.989
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: 1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -36.761808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.761808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.761808 (E_RNA)
where:
Base-Base interactions energy: -13.007
where: short stacking energy: -8.651
Base-Backbone interact. energy: -0.000
local terms energy: -23.755014
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.780
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: -1.552
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: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -53.589021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.589021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.589021 (E_RNA)
where:
Base-Base interactions energy: -24.242
where: short stacking energy: -24.242
Base-Backbone interact. energy: -0.000
local terms energy: -29.346511
where:
bonds (distance) C4'-P energy: -4.773
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.503
flat angles P-C4'-P energy: -4.368
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: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -41.478461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.478461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.478461 (E_RNA)
where:
Base-Base interactions energy: -19.830
where: short stacking energy: -16.588
Base-Backbone interact. energy: -0.181
local terms energy: -21.468035
where:
bonds (distance) C4'-P energy: -6.060
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -5.155
flat angles P-C4'-P energy: -1.547
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: 3, replica: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -42.588202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.588202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.588202 (E_RNA)
where:
Base-Base interactions energy: -21.481
where: short stacking energy: -15.477
Base-Backbone interact. energy: -0.063
local terms energy: -21.043793
where:
bonds (distance) C4'-P energy: -4.843
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.000
flat angles P-C4'-P energy: -4.056
tors. eta vs tors. theta energy: -1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -43.941549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.941549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.941549 (E_RNA)
where:
Base-Base interactions energy: -19.082
where: short stacking energy: -19.082
Base-Backbone interact. energy: -0.000
local terms energy: -24.859478
where:
bonds (distance) C4'-P energy: -5.340
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.234
flat angles P-C4'-P energy: -3.355
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -39.214477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.214477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.214477 (E_RNA)
where:
Base-Base interactions energy: -15.165
where: short stacking energy: -15.165
Base-Backbone interact. energy: -0.003
local terms energy: -24.047092
where:
bonds (distance) C4'-P energy: -4.980
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -4.102
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -3.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -42.342202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.342202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.342202 (E_RNA)
where:
Base-Base interactions energy: -21.008
where: short stacking energy: -12.202
Base-Backbone interact. energy: -0.095
local terms energy: -21.239795
where:
bonds (distance) C4'-P energy: -4.719
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -5.371
flat angles P-C4'-P energy: -2.774
tors. eta vs tors. theta energy: -2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -31.973631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.973631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.973631 (E_RNA)
where:
Base-Base interactions energy: -9.836
where: short stacking energy: -9.836
Base-Backbone interact. energy: -0.131
local terms energy: -22.006706
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.534
flat angles P-C4'-P energy: -1.721
tors. eta vs tors. theta energy: -1.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -38.032102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.032102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.032102 (E_RNA)
where:
Base-Base interactions energy: -12.768
where: short stacking energy: -12.768
Base-Backbone interact. energy: -0.000
local terms energy: -25.264078
where:
bonds (distance) C4'-P energy: -4.003
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.213
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: -4.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -43.565078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.565078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.565078 (E_RNA)
where:
Base-Base interactions energy: -19.274
where: short stacking energy: -19.274
Base-Backbone interact. energy: -0.000
local terms energy: -24.290794
where:
bonds (distance) C4'-P energy: -4.624
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -3.981
flat angles P-C4'-P energy: -2.572
tors. eta vs tors. theta energy: -5.971
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: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -35.597815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.597815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.597815 (E_RNA)
where:
Base-Base interactions energy: -15.016
where: short stacking energy: -15.016
Base-Backbone interact. energy: -0.000
local terms energy: -20.581767
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -3.936
flat angles C4'-P-C4' energy: -3.908
flat angles P-C4'-P energy: -2.090
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -48.980183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.980183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.980183 (E_RNA)
where:
Base-Base interactions energy: -23.224
where: short stacking energy: -23.224
Base-Backbone interact. energy: -0.000
local terms energy: -25.756351
where:
bonds (distance) C4'-P energy: -5.125
bonds (distance) P-C4' energy: -4.659
flat angles C4'-P-C4' energy: -5.335
flat angles P-C4'-P energy: -2.969
tors. eta vs tors. theta energy: -7.668
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: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -45.915729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.915729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.915729 (E_RNA)
where:
Base-Base interactions energy: -19.909
where: short stacking energy: -19.909
Base-Backbone interact. energy: -0.000
local terms energy: -26.006548
where:
bonds (distance) C4'-P energy: -4.694
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.150
flat angles P-C4'-P energy: -3.293
tors. eta vs tors. theta energy: -4.733
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: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -48.844947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.844947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.844947 (E_RNA)
where:
Base-Base interactions energy: -23.838
where: short stacking energy: -23.838
Base-Backbone interact. energy: -0.000
local terms energy: -25.007191
where:
bonds (distance) C4'-P energy: -5.233
bonds (distance) P-C4' energy: -4.634
flat angles C4'-P-C4' energy: -4.898
flat angles P-C4'-P energy: -3.328
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: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -39.443830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.443830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.443830 (E_RNA)
where:
Base-Base interactions energy: -16.948
where: short stacking energy: -16.948
Base-Backbone interact. energy: -0.000
local terms energy: -22.495889
where:
bonds (distance) C4'-P energy: -5.233
bonds (distance) P-C4' energy: -4.589
flat angles C4'-P-C4' energy: -5.509
flat angles P-C4'-P energy: -3.978
tors. eta vs tors. theta energy: -3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -37.055753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.055753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.055753 (E_RNA)
where:
Base-Base interactions energy: -12.409
where: short stacking energy: -12.409
Base-Backbone interact. energy: -0.000
local terms energy: -24.645848
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.361
flat angles C4'-P-C4' energy: -5.321
flat angles P-C4'-P energy: -3.675
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -36.397707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.397707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.397707 (E_RNA)
where:
Base-Base interactions energy: -13.961
where: short stacking energy: -13.961
Base-Backbone interact. energy: -0.003
local terms energy: -22.433810
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -5.346
flat angles C4'-P-C4' energy: -4.939
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: -0.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -33.445563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.445563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.445563 (E_RNA)
where:
Base-Base interactions energy: -12.000
where: short stacking energy: -12.000
Base-Backbone interact. energy: -0.020
local terms energy: -21.425127
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -4.199
flat angles C4'-P-C4' energy: -3.879
flat angles P-C4'-P energy: -3.904
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: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -31.806095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.806095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.806095 (E_RNA)
where:
Base-Base interactions energy: -13.505
where: short stacking energy: -13.505
Base-Backbone interact. energy: -0.000
local terms energy: -18.300583
where:
bonds (distance) C4'-P energy: -5.953
bonds (distance) P-C4' energy: -4.960
flat angles C4'-P-C4' energy: -5.608
flat angles P-C4'-P energy: -1.416
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: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -40.292049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.292049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.292049 (E_RNA)
where:
Base-Base interactions energy: -14.581
where: short stacking energy: -14.581
Base-Backbone interact. energy: -0.000
local terms energy: -25.710722
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.323
flat angles P-C4'-P energy: -4.176
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -35.747926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.747926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.747926 (E_RNA)
where:
Base-Base interactions energy: -12.429
where: short stacking energy: -12.429
Base-Backbone interact. energy: -0.047
local terms energy: -23.271746
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -6.205
flat angles P-C4'-P energy: -4.186
tors. eta vs tors. theta energy: -1.237
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: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -49.193334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.193334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.193334 (E_RNA)
where:
Base-Base interactions energy: -23.787
where: short stacking energy: -23.787
Base-Backbone interact. energy: -0.000
local terms energy: -25.406043
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -5.994
flat angles P-C4'-P energy: -3.229
tors. eta vs tors. theta energy: -5.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -48.539853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.539853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.539853 (E_RNA)
where:
Base-Base interactions energy: -22.743
where: short stacking energy: -22.743
Base-Backbone interact. energy: -0.000
local terms energy: -25.796564
where:
bonds (distance) C4'-P energy: -3.137
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -5.337
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -6.429
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: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -42.062572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.062572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.062572 (E_RNA)
where:
Base-Base interactions energy: -17.469
where: short stacking energy: -17.469
Base-Backbone interact. energy: -0.093
local terms energy: -24.501045
where:
bonds (distance) C4'-P energy: -4.371
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.096
flat angles P-C4'-P energy: -4.711
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: 4, replica: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -47.971265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.971265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.971265 (E_RNA)
where:
Base-Base interactions energy: -20.162
where: short stacking energy: -20.162
Base-Backbone interact. energy: -0.000
local terms energy: -27.809038
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -2.338
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -7.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -40.552735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.552735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.552735 (E_RNA)
where:
Base-Base interactions energy: -14.706
where: short stacking energy: -14.706
Base-Backbone interact. energy: -0.002
local terms energy: -25.844451
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.374
flat angles C4'-P-C4' energy: -5.504
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -5.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -37.271848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.271848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.271848 (E_RNA)
where:
Base-Base interactions energy: -15.364
where: short stacking energy: -15.364
Base-Backbone interact. energy: -0.000
local terms energy: -21.907270
where:
bonds (distance) C4'-P energy: -3.779
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.850
flat angles P-C4'-P energy: -3.995
tors. eta vs tors. theta energy: -1.641
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: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -44.252275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.252275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.252275 (E_RNA)
where:
Base-Base interactions energy: -20.048
where: short stacking energy: -16.376
Base-Backbone interact. energy: -0.000
local terms energy: -24.204139
where:
bonds (distance) C4'-P energy: -4.442
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -3.260
flat angles P-C4'-P energy: -4.495
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: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -36.648187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.648187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.648187 (E_RNA)
where:
Base-Base interactions energy: -12.774
where: short stacking energy: -12.774
Base-Backbone interact. energy: -0.000
local terms energy: -23.874352
where:
bonds (distance) C4'-P energy: -3.981
bonds (distance) P-C4' energy: -6.364
flat angles C4'-P-C4' energy: -5.624
flat angles P-C4'-P energy: -4.492
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -37.467684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.467684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.467684 (E_RNA)
where:
Base-Base interactions energy: -13.377
where: short stacking energy: -13.377
Base-Backbone interact. energy: -0.000
local terms energy: -24.090294
where:
bonds (distance) C4'-P energy: -4.727
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.919
flat angles P-C4'-P energy: -2.787
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -34.603881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.603881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.603881 (E_RNA)
where:
Base-Base interactions energy: -17.319
where: short stacking energy: -17.319
Base-Backbone interact. energy: -0.005
local terms energy: -17.279697
where:
bonds (distance) C4'-P energy: -1.743
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -2.751
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: -2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -50.230094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.230094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.230094 (E_RNA)
where:
Base-Base interactions energy: -22.998
where: short stacking energy: -22.998
Base-Backbone interact. energy: -0.000
local terms energy: -27.232019
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -6.657
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: -4.423
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: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -46.320752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.320752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.320752 (E_RNA)
where:
Base-Base interactions energy: -20.985
where: short stacking energy: -17.618
Base-Backbone interact. energy: -0.003
local terms energy: -25.333245
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -6.363
flat angles P-C4'-P energy: -3.893
tors. eta vs tors. theta energy: -3.356
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: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -52.240978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.240978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.240978 (E_RNA)
where:
Base-Base interactions energy: -25.042
where: short stacking energy: -25.042
Base-Backbone interact. energy: -0.000
local terms energy: -27.198484
where:
bonds (distance) C4'-P energy: -4.951
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -5.544
flat angles P-C4'-P energy: -2.142
tors. eta vs tors. theta energy: -8.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -45.918093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.918093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.918093 (E_RNA)
where:
Base-Base interactions energy: -19.268
where: short stacking energy: -19.268
Base-Backbone interact. energy: -0.000
local terms energy: -26.650150
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -4.970
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -38.811395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.811395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.811395 (E_RNA)
where:
Base-Base interactions energy: -15.407
where: short stacking energy: -15.407
Base-Backbone interact. energy: -0.000
local terms energy: -23.404229
where:
bonds (distance) C4'-P energy: -3.899
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.521
flat angles P-C4'-P energy: -3.332
tors. eta vs tors. theta energy: -2.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -41.273411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.273411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.273411 (E_RNA)
where:
Base-Base interactions energy: -17.411
where: short stacking energy: -9.837
Base-Backbone interact. energy: -0.000
local terms energy: -23.862031
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.342
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: -2.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -39.195849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.195849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.195849 (E_RNA)
where:
Base-Base interactions energy: -16.609
where: short stacking energy: -16.609
Base-Backbone interact. energy: -0.002
local terms energy: -22.584601
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -4.165
flat angles C4'-P-C4' energy: -4.217
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -38.148366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.148366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.148366 (E_RNA)
where:
Base-Base interactions energy: -13.857
where: short stacking energy: -13.857
Base-Backbone interact. energy: -0.019
local terms energy: -24.272705
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.952
flat angles P-C4'-P energy: -3.370
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -30.719994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.719994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.719994 (E_RNA)
where:
Base-Base interactions energy: -11.758
where: short stacking energy: -11.758
Base-Backbone interact. energy: -0.001
local terms energy: -18.960972
where:
bonds (distance) C4'-P energy: -4.508
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -1.788
flat angles P-C4'-P energy: -4.172
tors. eta vs tors. theta energy: -1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -30.134992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.134992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.134992 (E_RNA)
where:
Base-Base interactions energy: -11.164
where: short stacking energy: -11.164
Base-Backbone interact. energy: 0.189
local terms energy: -19.159876
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -3.843
flat angles P-C4'-P energy: -2.357
tors. eta vs tors. theta energy: -1.443
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: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -49.938107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.938107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.938107 (E_RNA)
where:
Base-Base interactions energy: -24.499
where: short stacking energy: -24.499
Base-Backbone interact. energy: -0.000
local terms energy: -25.439427
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -4.660
flat angles P-C4'-P energy: -1.319
tors. eta vs tors. theta energy: -7.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -47.798866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.798866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.798866 (E_RNA)
where:
Base-Base interactions energy: -22.608
where: short stacking energy: -22.608
Base-Backbone interact. energy: -0.000
local terms energy: -25.190565
where:
bonds (distance) C4'-P energy: -2.968
bonds (distance) P-C4' energy: -5.080
flat angles C4'-P-C4' energy: -6.063
flat angles P-C4'-P energy: -3.913
tors. eta vs tors. theta energy: -7.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -46.528270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.528270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.528270 (E_RNA)
where:
Base-Base interactions energy: -21.377
where: short stacking energy: -16.341
Base-Backbone interact. energy: -0.000
local terms energy: -25.150568
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -3.992
flat angles P-C4'-P energy: -2.718
tors. eta vs tors. theta energy: -6.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -45.319394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.319394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.319394 (E_RNA)
where:
Base-Base interactions energy: -17.501
where: short stacking energy: -17.501
Base-Backbone interact. energy: 0.345
local terms energy: -28.163294
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -6.348
flat angles P-C4'-P energy: -3.919
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -43.852870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.852870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.852870 (E_RNA)
where:
Base-Base interactions energy: -18.181
where: short stacking energy: -18.181
Base-Backbone interact. energy: -0.016
local terms energy: -25.656380
where:
bonds (distance) C4'-P energy: -4.931
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.188
flat angles P-C4'-P energy: -4.024
tors. eta vs tors. theta energy: -4.845
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: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -38.099139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.099139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.099139 (E_RNA)
where:
Base-Base interactions energy: -19.355
where: short stacking energy: -14.377
Base-Backbone interact. energy: 1.318
local terms energy: -20.062889
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -3.508
flat angles C4'-P-C4' energy: -4.764
flat angles P-C4'-P energy: -4.224
tors. eta vs tors. theta energy: -2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -33.874461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.874461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.874461 (E_RNA)
where:
Base-Base interactions energy: -12.953
where: short stacking energy: -12.953
Base-Backbone interact. energy: -0.025
local terms energy: -20.896320
where:
bonds (distance) C4'-P energy: -4.380
bonds (distance) P-C4' energy: -6.678
flat angles C4'-P-C4' energy: -5.290
flat angles P-C4'-P energy: -3.083
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: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -35.341258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.341258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.341258 (E_RNA)
where:
Base-Base interactions energy: -13.916
where: short stacking energy: -13.916
Base-Backbone interact. energy: -0.018
local terms energy: -21.407607
where:
bonds (distance) C4'-P energy: -5.295
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.234
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -0.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -33.165978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.165978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.165978 (E_RNA)
where:
Base-Base interactions energy: -12.904
where: short stacking energy: -12.904
Base-Backbone interact. energy: 0.415
local terms energy: -20.676803
where:
bonds (distance) C4'-P energy: -4.081
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -2.272
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -32.847434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.847434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.847434 (E_RNA)
where:
Base-Base interactions energy: -9.434
where: short stacking energy: -9.434
Base-Backbone interact. energy: -0.124
local terms energy: -23.288500
where:
bonds (distance) C4'-P energy: -4.587
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -6.504
flat angles P-C4'-P energy: -3.373
tors. eta vs tors. theta energy: -1.681
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: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -48.763551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.763551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.763551 (E_RNA)
where:
Base-Base interactions energy: -20.736
where: short stacking energy: -20.736
Base-Backbone interact. energy: -0.000
local terms energy: -28.027692
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -6.311
flat angles P-C4'-P energy: -3.040
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -47.332718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.332718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.332718 (E_RNA)
where:
Base-Base interactions energy: -23.448
where: short stacking energy: -23.448
Base-Backbone interact. energy: -0.000
local terms energy: -23.885132
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -3.528
flat angles C4'-P-C4' energy: -5.114
flat angles P-C4'-P energy: -3.022
tors. eta vs tors. theta energy: -6.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -47.028459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.028459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.028459 (E_RNA)
where:
Base-Base interactions energy: -27.032
where: short stacking energy: -17.296
Base-Backbone interact. energy: -0.040
local terms energy: -19.955832
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -4.249
flat angles P-C4'-P energy: -3.706
tors. eta vs tors. theta energy: -1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -43.737764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.737764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.737764 (E_RNA)
where:
Base-Base interactions energy: -16.370
where: short stacking energy: -16.370
Base-Backbone interact. energy: -1.106
local terms energy: -26.261731
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -5.150
flat angles P-C4'-P energy: -4.795
tors. eta vs tors. theta energy: -5.083
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: 308
Temperature: 1.100000
Total energy: -42.240661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.240661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.240661 (E_RNA)
where:
Base-Base interactions energy: -20.742
where: short stacking energy: -16.193
Base-Backbone interact. energy: -0.033
local terms energy: -21.466161
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.146
flat angles C4'-P-C4' energy: -5.715
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -39.565471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.565471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.565471 (E_RNA)
where:
Base-Base interactions energy: -17.127
where: short stacking energy: -17.127
Base-Backbone interact. energy: 0.507
local terms energy: -22.944683
where:
bonds (distance) C4'-P energy: -4.682
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -3.509
flat angles P-C4'-P energy: -4.938
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: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -44.050626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.050626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.050626 (E_RNA)
where:
Base-Base interactions energy: -24.446
where: short stacking energy: -11.197
Base-Backbone interact. energy: -0.199
local terms energy: -19.406423
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -1.683
flat angles P-C4'-P energy: -3.031
tors. eta vs tors. theta energy: -2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -34.244473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.244473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.244473 (E_RNA)
where:
Base-Base interactions energy: -11.084
where: short stacking energy: -11.084
Base-Backbone interact. energy: -0.000
local terms energy: -23.160400
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -3.064
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -2.465
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: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -35.812747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.812747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.812747 (E_RNA)
where:
Base-Base interactions energy: -14.912
where: short stacking energy: -14.912
Base-Backbone interact. energy: -0.001
local terms energy: -20.899471
where:
bonds (distance) C4'-P energy: -5.724
bonds (distance) P-C4' energy: -3.482
flat angles C4'-P-C4' energy: -5.308
flat angles P-C4'-P energy: -3.814
tors. eta vs tors. theta energy: -2.572
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: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -34.638001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.638001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.638001 (E_RNA)
where:
Base-Base interactions energy: -11.238
where: short stacking energy: -11.238
Base-Backbone interact. energy: -0.001
local terms energy: -23.398853
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -4.220
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -43.407643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.407643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.407643 (E_RNA)
where:
Base-Base interactions energy: -18.758
where: short stacking energy: -18.758
Base-Backbone interact. energy: -0.001
local terms energy: -24.648459
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.904
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -48.510765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.510765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.510765 (E_RNA)
where:
Base-Base interactions energy: -26.672
where: short stacking energy: -12.967
Base-Backbone interact. energy: -0.001
local terms energy: -21.837215
where:
bonds (distance) C4'-P energy: -4.980
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.323
flat angles P-C4'-P energy: -4.614
tors. eta vs tors. theta energy: 0.216
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: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -42.430778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.430778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.430778 (E_RNA)
where:
Base-Base interactions energy: -20.391
where: short stacking energy: -9.820
Base-Backbone interact. energy: -2.717
local terms energy: -19.322709
where:
bonds (distance) C4'-P energy: -5.393
bonds (distance) P-C4' energy: -3.733
flat angles C4'-P-C4' energy: -3.476
flat angles P-C4'-P energy: -5.265
tors. eta vs tors. theta energy: -1.455
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: 4, replica: 10
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -46.537859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.537859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.537859 (E_RNA)
where:
Base-Base interactions energy: -17.607
where: short stacking energy: -17.607
Base-Backbone interact. energy: -0.000
local terms energy: -28.931313
where:
bonds (distance) C4'-P energy: -4.557
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -6.178
flat angles P-C4'-P energy: -3.965
tors. eta vs tors. theta energy: -7.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -39.074552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.074552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.074552 (E_RNA)
where:
Base-Base interactions energy: -20.241
where: short stacking energy: -20.241
Base-Backbone interact. energy: -0.001
local terms energy: -18.832717
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -1.490
flat angles C4'-P-C4' energy: -4.737
flat angles P-C4'-P energy: -2.688
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -39.460006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.460006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.460006 (E_RNA)
where:
Base-Base interactions energy: -16.866
where: short stacking energy: -16.866
Base-Backbone interact. energy: -0.000
local terms energy: -22.593697
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -3.938
flat angles C4'-P-C4' energy: -5.637
flat angles P-C4'-P energy: -3.897
tors. eta vs tors. theta energy: -3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -38.106990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.106990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.106990 (E_RNA)
where:
Base-Base interactions energy: -13.869
where: short stacking energy: -13.869
Base-Backbone interact. energy: -0.000
local terms energy: -24.237855
where:
bonds (distance) C4'-P energy: -5.589
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.220
flat angles P-C4'-P energy: -2.667
tors. eta vs tors. theta energy: -3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -34.350044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.350044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.350044 (E_RNA)
where:
Base-Base interactions energy: -13.531
where: short stacking energy: -13.531
Base-Backbone interact. energy: -0.125
local terms energy: -20.694604
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -5.209
flat angles C4'-P-C4' energy: -5.780
flat angles P-C4'-P energy: -0.351
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -36.211245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.211245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.211245 (E_RNA)
where:
Base-Base interactions energy: -14.767
where: short stacking energy: -13.769
Base-Backbone interact. energy: -0.009
local terms energy: -21.435313
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -5.301
flat angles C4'-P-C4' energy: -4.797
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -2.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -34.063798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.063798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.063798 (E_RNA)
where:
Base-Base interactions energy: -10.685
where: short stacking energy: -10.685
Base-Backbone interact. energy: -0.000
local terms energy: -23.378725
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -5.101
flat angles C4'-P-C4' energy: -6.166
flat angles P-C4'-P energy: -3.554
tors. eta vs tors. theta energy: -2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -54.754315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.754315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.754315 (E_RNA)
where:
Base-Base interactions energy: -28.068
where: short stacking energy: -21.269
Base-Backbone interact. energy: -0.394
local terms energy: -26.292531
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.303
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: -5.452
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: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -47.515191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.515191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.515191 (E_RNA)
where:
Base-Base interactions energy: -22.766
where: short stacking energy: -22.766
Base-Backbone interact. energy: -0.000
local terms energy: -24.748850
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -4.923
flat angles C4'-P-C4' energy: -4.495
flat angles P-C4'-P energy: -4.332
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -41.555874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.555874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.555874 (E_RNA)
where:
Base-Base interactions energy: -16.521
where: short stacking energy: -16.521
Base-Backbone interact. energy: -0.000
local terms energy: -25.034714
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -4.553
flat angles C4'-P-C4' energy: -4.010
flat angles P-C4'-P energy: -4.172
tors. eta vs tors. theta energy: -6.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -45.071388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.071388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.071388 (E_RNA)
where:
Base-Base interactions energy: -21.513
where: short stacking energy: -21.513
Base-Backbone interact. energy: -0.000
local terms energy: -23.558026
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.498
flat angles P-C4'-P energy: -3.073
tors. eta vs tors. theta energy: -4.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -41.592694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.592694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.592694 (E_RNA)
where:
Base-Base interactions energy: -15.612
where: short stacking energy: -15.612
Base-Backbone interact. energy: -0.011
local terms energy: -25.969851
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -4.651
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -33.098762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.098762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.098762 (E_RNA)
where:
Base-Base interactions energy: -16.450
where: short stacking energy: -16.450
Base-Backbone interact. energy: -0.073
local terms energy: -16.575752
where:
bonds (distance) C4'-P energy: -3.895
bonds (distance) P-C4' energy: -4.574
flat angles C4'-P-C4' energy: -2.850
flat angles P-C4'-P energy: -2.552
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -41.750391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.750391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.750391 (E_RNA)
where:
Base-Base interactions energy: -18.128
where: short stacking energy: -18.128
Base-Backbone interact. energy: -0.000
local terms energy: -23.622215
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -5.887
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -37.798006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.798006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.798006 (E_RNA)
where:
Base-Base interactions energy: -12.878
where: short stacking energy: -12.878
Base-Backbone interact. energy: -0.019
local terms energy: -24.901386
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.696
flat angles P-C4'-P energy: -4.089
tors. eta vs tors. theta energy: -1.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -32.810884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.810884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.810884 (E_RNA)
where:
Base-Base interactions energy: -12.642
where: short stacking energy: -7.425
Base-Backbone interact. energy: -0.136
local terms energy: -20.032659
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -4.866
flat angles P-C4'-P energy: -1.719
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: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -31.301765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.301765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.301765 (E_RNA)
where:
Base-Base interactions energy: -16.091
where: short stacking energy: -3.912
Base-Backbone interact. energy: -0.078
local terms energy: -15.132725
where:
bonds (distance) C4'-P energy: -5.037
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -1.893
flat angles P-C4'-P energy: -1.932
tors. eta vs tors. theta energy: 0.864
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: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -49.934059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.934059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.934059 (E_RNA)
where:
Base-Base interactions energy: -29.283
where: short stacking energy: -16.043
Base-Backbone interact. energy: -0.000
local terms energy: -20.650548
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.327
flat angles C4'-P-C4' energy: -5.780
flat angles P-C4'-P energy: -1.129
tors. eta vs tors. theta energy: -3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -39.438037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.438037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.438037 (E_RNA)
where:
Base-Base interactions energy: -18.387
where: short stacking energy: -12.861
Base-Backbone interact. energy: -0.650
local terms energy: -20.401028
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -4.942
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: 1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -48.111552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.111552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.111552 (E_RNA)
where:
Base-Base interactions energy: -20.616
where: short stacking energy: -20.616
Base-Backbone interact. energy: -0.000
local terms energy: -27.495055
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -6.231
flat angles C4'-P-C4' energy: -5.287
flat angles P-C4'-P energy: -4.245
tors. eta vs tors. theta energy: -5.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -50.126984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.126984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.126984 (E_RNA)
where:
Base-Base interactions energy: -21.405
where: short stacking energy: -21.405
Base-Backbone interact. energy: -0.000
local terms energy: -28.722414
where:
bonds (distance) C4'-P energy: -4.401
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.334
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: -6.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -42.730794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.730794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.730794 (E_RNA)
where:
Base-Base interactions energy: -16.971
where: short stacking energy: -16.971
Base-Backbone interact. energy: -0.000
local terms energy: -25.759656
where:
bonds (distance) C4'-P energy: -5.109
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.711
flat angles P-C4'-P energy: -4.906
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: 6, replica: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -39.443115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.443115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.443115 (E_RNA)
where:
Base-Base interactions energy: -17.385
where: short stacking energy: -12.301
Base-Backbone interact. energy: -0.000
local terms energy: -22.057960
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -3.632
flat angles P-C4'-P energy: -3.792
tors. eta vs tors. theta energy: -2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -36.559544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.559544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.559544 (E_RNA)
where:
Base-Base interactions energy: -15.631
where: short stacking energy: -12.340
Base-Backbone interact. energy: -0.006
local terms energy: -20.922250
where:
bonds (distance) C4'-P energy: -4.223
bonds (distance) P-C4' energy: -3.864
flat angles C4'-P-C4' energy: -5.144
flat angles P-C4'-P energy: -4.120
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -34.418877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.418877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.418877 (E_RNA)
where:
Base-Base interactions energy: -14.752
where: short stacking energy: -14.752
Base-Backbone interact. energy: -0.055
local terms energy: -19.611591
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -2.476
flat angles P-C4'-P energy: -2.329
tors. eta vs tors. theta energy: -2.915
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: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -32.878525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.878525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.878525 (E_RNA)
where:
Base-Base interactions energy: -17.722
where: short stacking energy: -11.826
Base-Backbone interact. energy: -0.003
local terms energy: -15.152991
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -3.502
flat angles C4'-P-C4' energy: -4.948
flat angles P-C4'-P energy: -1.849
tors. eta vs tors. theta energy: 1.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -40.314010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.314010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.314010 (E_RNA)
where:
Base-Base interactions energy: -17.951
where: short stacking energy: -17.951
Base-Backbone interact. energy: -0.000
local terms energy: -22.363002
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -5.730
flat angles C4'-P-C4' energy: -5.841
flat angles P-C4'-P energy: -0.823
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -50.066658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.066658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.066658 (E_RNA)
where:
Base-Base interactions energy: -28.215
where: short stacking energy: -17.523
Base-Backbone interact. energy: -0.000
local terms energy: -21.851161
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -5.588
flat angles P-C4'-P energy: -1.912
tors. eta vs tors. theta energy: -3.268
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: 10
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -42.503157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.503157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.503157 (E_RNA)
where:
Base-Base interactions energy: -18.300
where: short stacking energy: -18.300
Base-Backbone interact. energy: -0.006
local terms energy: -24.197138
where:
bonds (distance) C4'-P energy: -4.869
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -6.215
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: -1.803
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: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -51.216472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.216472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.216472 (E_RNA)
where:
Base-Base interactions energy: -22.041
where: short stacking energy: -22.041
Base-Backbone interact. energy: -0.000
local terms energy: -29.175167
where:
bonds (distance) C4'-P energy: -5.109
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.375
flat angles P-C4'-P energy: -3.697
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -49.165686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.165686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.165686 (E_RNA)
where:
Base-Base interactions energy: -21.577
where: short stacking energy: -21.577
Base-Backbone interact. energy: -0.000
local terms energy: -27.588858
where:
bonds (distance) C4'-P energy: -4.391
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.131
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: -5.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -43.956609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.956609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.956609 (E_RNA)
where:
Base-Base interactions energy: -18.174
where: short stacking energy: -17.884
Base-Backbone interact. energy: -0.001
local terms energy: -25.781041
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -6.308
flat angles P-C4'-P energy: -4.079
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -40.029477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.029477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.029477 (E_RNA)
where:
Base-Base interactions energy: -21.428
where: short stacking energy: -11.061
Base-Backbone interact. energy: -0.001
local terms energy: -18.600831
where:
bonds (distance) C4'-P energy: -4.400
bonds (distance) P-C4' energy: -5.442
flat angles C4'-P-C4' energy: -4.264
flat angles P-C4'-P energy: -2.981
tors. eta vs tors. theta energy: -1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -37.265409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.265409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.265409 (E_RNA)
where:
Base-Base interactions energy: -14.887
where: short stacking energy: -14.887
Base-Backbone interact. energy: -0.000
local terms energy: -22.378113
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -5.083
flat angles C4'-P-C4' energy: -4.081
flat angles P-C4'-P energy: -4.192
tors. eta vs tors. theta energy: -3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -34.728786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.728786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.728786 (E_RNA)
where:
Base-Base interactions energy: -14.752
where: short stacking energy: -6.713
Base-Backbone interact. energy: -0.019
local terms energy: -19.957675
where:
bonds (distance) C4'-P energy: -5.393
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.039
flat angles P-C4'-P energy: -1.314
tors. eta vs tors. theta energy: -0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -30.517052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.517052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.517052 (E_RNA)
where:
Base-Base interactions energy: -11.845
where: short stacking energy: -11.845
Base-Backbone interact. energy: -0.027
local terms energy: -18.644908
where:
bonds (distance) C4'-P energy: -4.682
bonds (distance) P-C4' energy: -4.621
flat angles C4'-P-C4' energy: -3.775
flat angles P-C4'-P energy: -4.157
tors. eta vs tors. theta energy: -1.411
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: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -36.978938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.978938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.978938 (E_RNA)
where:
Base-Base interactions energy: -14.391
where: short stacking energy: -14.391
Base-Backbone interact. energy: -0.001
local terms energy: -22.587342
where:
bonds (distance) C4'-P energy: -4.214
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.688
flat angles P-C4'-P energy: -4.656
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: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -53.844215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.844215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.844215 (E_RNA)
where:
Base-Base interactions energy: -24.082
where: short stacking energy: -24.082
Base-Backbone interact. energy: -0.000
local terms energy: -29.762270
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -6.379
flat angles P-C4'-P energy: -2.999
tors. eta vs tors. theta energy: -7.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -45.156661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.156661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.156661 (E_RNA)
where:
Base-Base interactions energy: -16.872
where: short stacking energy: -16.872
Base-Backbone interact. energy: -0.000
local terms energy: -28.284860
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.337
flat angles P-C4'-P energy: -3.194
tors. eta vs tors. theta energy: -6.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -44.548101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.548101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.548101 (E_RNA)
where:
Base-Base interactions energy: -16.173
where: short stacking energy: -16.173
Base-Backbone interact. energy: -0.000
local terms energy: -28.375149
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -6.056
flat angles P-C4'-P energy: -3.659
tors. eta vs tors. theta energy: -5.866
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: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -43.289143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.289143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.289143 (E_RNA)
where:
Base-Base interactions energy: -20.590
where: short stacking energy: -20.590
Base-Backbone interact. energy: -0.000
local terms energy: -22.699440
where:
bonds (distance) C4'-P energy: -2.764
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.628
flat angles P-C4'-P energy: -3.626
tors. eta vs tors. theta energy: -3.805
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: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -46.007971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.007971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.007971 (E_RNA)
where:
Base-Base interactions energy: -20.468
where: short stacking energy: -20.468
Base-Backbone interact. energy: -0.001
local terms energy: -25.538896
where:
bonds (distance) C4'-P energy: -4.980
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -4.868
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -39.809391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.809391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.809391 (E_RNA)
where:
Base-Base interactions energy: -15.000
where: short stacking energy: -15.000
Base-Backbone interact. energy: -0.000
local terms energy: -24.809332
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -3.265
flat angles P-C4'-P energy: -4.132
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -34.292953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.292953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.292953 (E_RNA)
where:
Base-Base interactions energy: -13.504
where: short stacking energy: -13.504
Base-Backbone interact. energy: -0.032
local terms energy: -20.756812
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.276
flat angles C4'-P-C4' energy: -4.950
flat angles P-C4'-P energy: -0.556
tors. eta vs tors. theta energy: -4.039
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: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -39.011184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.011184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.011184 (E_RNA)
where:
Base-Base interactions energy: -15.413
where: short stacking energy: -10.492
Base-Backbone interact. energy: -0.006
local terms energy: -23.591605
where:
bonds (distance) C4'-P energy: -5.145
bonds (distance) P-C4' energy: -5.763
flat angles C4'-P-C4' energy: -5.853
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -29.239670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.239670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.239670 (E_RNA)
where:
Base-Base interactions energy: -8.979
where: short stacking energy: -8.979
Base-Backbone interact. energy: -0.000
local terms energy: -20.260615
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -4.659
flat angles C4'-P-C4' energy: -1.858
flat angles P-C4'-P energy: -4.433
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: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -34.854271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.854271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.854271 (E_RNA)
where:
Base-Base interactions energy: -16.668
where: short stacking energy: -11.566
Base-Backbone interact. energy: -0.001
local terms energy: -18.185563
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -4.846
flat angles C4'-P-C4' energy: -3.924
flat angles P-C4'-P energy: -0.931
tors. eta vs tors. theta energy: -2.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -47.745771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.745771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.745771 (E_RNA)
where:
Base-Base interactions energy: -20.214
where: short stacking energy: -20.214
Base-Backbone interact. energy: -0.000
local terms energy: -27.531696
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -4.675
flat angles P-C4'-P energy: -4.224
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -45.643128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.643128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.643128 (E_RNA)
where:
Base-Base interactions energy: -20.402
where: short stacking energy: -20.402
Base-Backbone interact. energy: -0.000
local terms energy: -25.241145
where:
bonds (distance) C4'-P energy: -4.462
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -6.008
flat angles P-C4'-P energy: -3.834
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -47.304141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.304141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.304141 (E_RNA)
where:
Base-Base interactions energy: -24.025
where: short stacking energy: -13.489
Base-Backbone interact. energy: -0.493
local terms energy: -22.785965
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.199
flat angles P-C4'-P energy: -2.898
tors. eta vs tors. theta energy: -1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -39.825857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.825857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.825857 (E_RNA)
where:
Base-Base interactions energy: -15.802
where: short stacking energy: -15.802
Base-Backbone interact. energy: -0.099
local terms energy: -23.924960
where:
bonds (distance) C4'-P energy: -5.489
bonds (distance) P-C4' energy: -4.681
flat angles C4'-P-C4' energy: -5.564
flat angles P-C4'-P energy: -4.622
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -38.567604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.567604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.567604 (E_RNA)
where:
Base-Base interactions energy: -14.974
where: short stacking energy: -14.974
Base-Backbone interact. energy: -0.000
local terms energy: -23.593712
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.375
flat angles P-C4'-P energy: -2.626
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: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -36.106854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.106854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.106854 (E_RNA)
where:
Base-Base interactions energy: -11.668
where: short stacking energy: -11.668
Base-Backbone interact. energy: -0.034
local terms energy: -24.404579
where:
bonds (distance) C4'-P energy: -5.688
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -6.332
flat angles P-C4'-P energy: -3.720
tors. eta vs tors. theta energy: -2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -35.715028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.715028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.715028 (E_RNA)
where:
Base-Base interactions energy: -13.662
where: short stacking energy: -13.662
Base-Backbone interact. energy: -0.001
local terms energy: -22.051849
where:
bonds (distance) C4'-P energy: -4.462
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -6.292
flat angles P-C4'-P energy: -2.597
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: 8, replica: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -32.131879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.131879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.131879 (E_RNA)
where:
Base-Base interactions energy: -13.910
where: short stacking energy: -13.910
Base-Backbone interact. energy: -0.000
local terms energy: -18.221702
where:
bonds (distance) C4'-P energy: -2.205
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.284
flat angles P-C4'-P energy: -2.773
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: 9, replica: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -34.274346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.274346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.274346 (E_RNA)
where:
Base-Base interactions energy: -15.407
where: short stacking energy: -15.407
Base-Backbone interact. energy: -0.001
local terms energy: -18.866833
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -5.571
flat angles P-C4'-P energy: -2.499
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: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -33.709392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.709392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.709392 (E_RNA)
where:
Base-Base interactions energy: -12.332
where: short stacking energy: -12.332
Base-Backbone interact. energy: -0.055
local terms energy: -21.322331
where:
bonds (distance) C4'-P energy: -5.729
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -2.001
flat angles P-C4'-P energy: -3.195
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: 315
Temperature: 0.900000
Total energy: -46.583150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.583150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.583150 (E_RNA)
where:
Base-Base interactions energy: -20.917
where: short stacking energy: -20.917
Base-Backbone interact. energy: -0.001
local terms energy: -25.665431
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.043
flat angles P-C4'-P energy: -4.256
tors. eta vs tors. theta energy: -4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -49.159750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.159750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.159750 (E_RNA)
where:
Base-Base interactions energy: -21.064
where: short stacking energy: -21.064
Base-Backbone interact. energy: -0.000
local terms energy: -28.095545
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.117
flat angles P-C4'-P energy: -4.007
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: 3, replica: 6
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -46.624777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.624777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.624777 (E_RNA)
where:
Base-Base interactions energy: -20.452
where: short stacking energy: -20.452
Base-Backbone interact. energy: -0.000
local terms energy: -26.173047
where:
bonds (distance) C4'-P energy: -3.332
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -6.751
flat angles P-C4'-P energy: -2.706
tors. eta vs tors. theta energy: -6.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -44.706503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.706503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.706503 (E_RNA)
where:
Base-Base interactions energy: -21.547
where: short stacking energy: -7.559
Base-Backbone interact. energy: -0.081
local terms energy: -23.077985
where:
bonds (distance) C4'-P energy: -5.207
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -3.705
flat angles P-C4'-P energy: -3.417
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -39.523380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.523380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.523380 (E_RNA)
where:
Base-Base interactions energy: -18.212
where: short stacking energy: -17.439
Base-Backbone interact. energy: -0.000
local terms energy: -21.311309
where:
bonds (distance) C4'-P energy: -4.454
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.787
flat angles P-C4'-P energy: -3.971
tors. eta vs tors. theta energy: -1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -36.280462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.280462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.280462 (E_RNA)
where:
Base-Base interactions energy: -15.459
where: short stacking energy: -15.459
Base-Backbone interact. energy: -0.000
local terms energy: -20.821410
where:
bonds (distance) C4'-P energy: -5.096
bonds (distance) P-C4' energy: -5.082
flat angles C4'-P-C4' energy: -4.835
flat angles P-C4'-P energy: -3.412
tors. eta vs tors. theta energy: -2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -39.318585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.318585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.318585 (E_RNA)
where:
Base-Base interactions energy: -14.486
where: short stacking energy: -14.486
Base-Backbone interact. energy: -0.000
local terms energy: -24.832838
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -6.442
flat angles C4'-P-C4' energy: -4.658
flat angles P-C4'-P energy: -3.660
tors. eta vs tors. theta energy: -4.465
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: 8, replica: 5
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -31.967474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.967474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.967474 (E_RNA)
where:
Base-Base interactions energy: -11.864
where: short stacking energy: -11.864
Base-Backbone interact. energy: -0.001
local terms energy: -20.102130
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -4.159
flat angles P-C4'-P energy: -3.352
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -36.539702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.539702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.539702 (E_RNA)
where:
Base-Base interactions energy: -15.579
where: short stacking energy: -15.579
Base-Backbone interact. energy: -0.008
local terms energy: -20.952714
where:
bonds (distance) C4'-P energy: -3.494
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -4.571
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -34.907244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.907244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.907244 (E_RNA)
where:
Base-Base interactions energy: -13.177
where: short stacking energy: -13.177
Base-Backbone interact. energy: -0.000
local terms energy: -21.730677
where:
bonds (distance) C4'-P energy: -5.145
bonds (distance) P-C4' energy: -4.227
flat angles C4'-P-C4' energy: -5.152
flat angles P-C4'-P energy: -3.563
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -48.121453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.121453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.121453 (E_RNA)
where:
Base-Base interactions energy: -22.569
where: short stacking energy: -22.569
Base-Backbone interact. energy: -0.000
local terms energy: -25.552004
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -4.786
flat angles C4'-P-C4' energy: -5.820
flat angles P-C4'-P energy: -3.073
tors. eta vs tors. theta energy: -5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -41.483727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.483727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.483727 (E_RNA)
where:
Base-Base interactions energy: -16.914
where: short stacking energy: -16.914
Base-Backbone interact. energy: -0.011
local terms energy: -24.558808
where:
bonds (distance) C4'-P energy: -5.216
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.662
flat angles P-C4'-P energy: -3.452
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -40.465826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.465826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.465826 (E_RNA)
where:
Base-Base interactions energy: -16.952
where: short stacking energy: -16.952
Base-Backbone interact. energy: -0.001
local terms energy: -23.513348
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -6.608
flat angles P-C4'-P energy: -3.749
tors. eta vs tors. theta energy: -1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -46.839255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.839255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.839255 (E_RNA)
where:
Base-Base interactions energy: -20.516
where: short stacking energy: -20.516
Base-Backbone interact. energy: -0.000
local terms energy: -26.323585
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -5.743
flat angles P-C4'-P energy: -0.543
tors. eta vs tors. theta energy: -6.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -40.225776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.225776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.225776 (E_RNA)
where:
Base-Base interactions energy: -16.049
where: short stacking energy: -16.049
Base-Backbone interact. energy: -0.000
local terms energy: -24.176545
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -5.301
flat angles C4'-P-C4' energy: -4.976
flat angles P-C4'-P energy: -2.513
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: 6, replica: 7
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -34.647237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.647237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.647237 (E_RNA)
where:
Base-Base interactions energy: -9.416
where: short stacking energy: -9.416
Base-Backbone interact. energy: -0.000
local terms energy: -25.230852
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.870
flat angles P-C4'-P energy: -2.730
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: 7, replica: 5
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -33.903458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.903458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.903458 (E_RNA)
where:
Base-Base interactions energy: -12.780
where: short stacking energy: -12.780
Base-Backbone interact. energy: -0.000
local terms energy: -21.123078
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -4.935
flat angles P-C4'-P energy: -2.498
tors. eta vs tors. theta energy: -1.391
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: 316
Temperature: 1.250000
Total energy: -35.163105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.163105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.163105 (E_RNA)
where:
Base-Base interactions energy: -14.234
where: short stacking energy: -11.628
Base-Backbone interact. energy: -0.296
local terms energy: -20.633533
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.607
flat angles P-C4'-P energy: -3.424
tors. eta vs tors. theta energy: 0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -36.766259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.766259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.766259 (E_RNA)
where:
Base-Base interactions energy: -12.927
where: short stacking energy: -12.927
Base-Backbone interact. energy: -0.108
local terms energy: -23.731858
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.237
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: -2.346
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: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -30.863053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.863053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.863053 (E_RNA)
where:
Base-Base interactions energy: -9.265
where: short stacking energy: -9.265
Base-Backbone interact. energy: -0.004
local terms energy: -21.594765
where:
bonds (distance) C4'-P energy: -4.913
bonds (distance) P-C4' energy: -6.125
flat angles C4'-P-C4' energy: -4.387
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -0.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -52.842828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.842828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.842828 (E_RNA)
where:
Base-Base interactions energy: -23.281
where: short stacking energy: -23.281
Base-Backbone interact. energy: -0.000
local terms energy: -29.561624
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.698
flat angles P-C4'-P energy: -3.718
tors. eta vs tors. theta energy: -7.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -55.825757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.825757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.825757 (E_RNA)
where:
Base-Base interactions energy: -26.666
where: short stacking energy: -26.666
Base-Backbone interact. energy: -0.000
local terms energy: -29.159946
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -5.730
flat angles C4'-P-C4' energy: -6.770
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -39.121488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.121488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.121488 (E_RNA)
where:
Base-Base interactions energy: -15.394
where: short stacking energy: -15.394
Base-Backbone interact. energy: -0.000
local terms energy: -23.727108
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -6.245
flat angles P-C4'-P energy: -2.499
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: 4, replica: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -43.792717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.792717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.792717 (E_RNA)
where:
Base-Base interactions energy: -19.439
where: short stacking energy: -19.439
Base-Backbone interact. energy: -0.002
local terms energy: -24.352312
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -5.576
flat angles C4'-P-C4' energy: -4.200
flat angles P-C4'-P energy: -4.181
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: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -34.581361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.581361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.581361 (E_RNA)
where:
Base-Base interactions energy: -10.955
where: short stacking energy: -10.955
Base-Backbone interact. energy: -0.058
local terms energy: -23.567839
where:
bonds (distance) C4'-P energy: -3.273
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -6.336
flat angles P-C4'-P energy: -2.797
tors. eta vs tors. theta energy: -4.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -41.219016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.219016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.219016 (E_RNA)
where:
Base-Base interactions energy: -15.719
where: short stacking energy: -15.719
Base-Backbone interact. energy: -0.002
local terms energy: -25.497732
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.470
flat angles P-C4'-P energy: -4.225
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -43.443230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.443230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.443230 (E_RNA)
where:
Base-Base interactions energy: -19.167
where: short stacking energy: -19.167
Base-Backbone interact. energy: -0.000
local terms energy: -24.275798
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -4.815
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -41.349320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.349320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.349320 (E_RNA)
where:
Base-Base interactions energy: -18.644
where: short stacking energy: -18.644
Base-Backbone interact. energy: -0.000
local terms energy: -22.704825
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.896
flat angles C4'-P-C4' energy: -4.026
flat angles P-C4'-P energy: -3.609
tors. eta vs tors. theta energy: -2.952
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: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -38.727613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.727613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.727613 (E_RNA)
where:
Base-Base interactions energy: -14.034
where: short stacking energy: -14.034
Base-Backbone interact. energy: -0.031
local terms energy: -24.662723
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.479
flat angles P-C4'-P energy: -3.221
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -35.024810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.024810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.024810 (E_RNA)
where:
Base-Base interactions energy: -17.682
where: short stacking energy: -17.682
Base-Backbone interact. energy: -0.009
local terms energy: -17.333583
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -4.078
flat angles C4'-P-C4' energy: -4.966
flat angles P-C4'-P energy: -0.971
tors. eta vs tors. theta energy: -2.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -42.973476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.973476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.973476 (E_RNA)
where:
Base-Base interactions energy: -17.780
where: short stacking energy: -16.377
Base-Backbone interact. energy: -0.866
local terms energy: -24.327716
where:
bonds (distance) C4'-P energy: -4.516
bonds (distance) P-C4' energy: -4.849
flat angles C4'-P-C4' energy: -5.901
flat angles P-C4'-P energy: -4.012
tors. eta vs tors. theta energy: -5.050
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: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -38.169376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.169376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.169376 (E_RNA)
where:
Base-Base interactions energy: -12.090
where: short stacking energy: -10.574
Base-Backbone interact. energy: -0.000
local terms energy: -26.079122
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -6.029
flat angles P-C4'-P energy: -2.944
tors. eta vs tors. theta energy: -4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -45.809004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.809004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.809004 (E_RNA)
where:
Base-Base interactions energy: -18.902
where: short stacking energy: -18.902
Base-Backbone interact. energy: -0.000
local terms energy: -26.907340
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.709
flat angles P-C4'-P energy: -4.149
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -39.217851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.217851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.217851 (E_RNA)
where:
Base-Base interactions energy: -16.903
where: short stacking energy: -16.903
Base-Backbone interact. energy: -0.004
local terms energy: -22.310339
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -2.561
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -2.158
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: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -39.862228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.862228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.862228 (E_RNA)
where:
Base-Base interactions energy: -15.414
where: short stacking energy: -15.414
Base-Backbone interact. energy: -0.000
local terms energy: -24.448421
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -4.165
flat angles C4'-P-C4' energy: -6.587
flat angles P-C4'-P energy: -3.917
tors. eta vs tors. theta energy: -3.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -39.368818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.368818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.368818 (E_RNA)
where:
Base-Base interactions energy: -12.420
where: short stacking energy: -12.420
Base-Backbone interact. energy: -0.000
local terms energy: -26.948362
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -5.739
flat angles P-C4'-P energy: -4.498
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -45.729414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.729414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.729414 (E_RNA)
where:
Base-Base interactions energy: -21.555
where: short stacking energy: -21.555
Base-Backbone interact. energy: -0.000
local terms energy: -24.174379
where:
bonds (distance) C4'-P energy: -3.385
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -4.256
flat angles P-C4'-P energy: -2.640
tors. eta vs tors. theta energy: -7.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -32.714531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.714531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.714531 (E_RNA)
where:
Base-Base interactions energy: -12.827
where: short stacking energy: -12.827
Base-Backbone interact. energy: -0.002
local terms energy: -19.886128
where:
bonds (distance) C4'-P energy: -4.835
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.360
flat angles P-C4'-P energy: -2.186
tors. eta vs tors. theta energy: -0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -42.252955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.252955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.252955 (E_RNA)
where:
Base-Base interactions energy: -20.143
where: short stacking energy: -20.143
Base-Backbone interact. energy: -0.011
local terms energy: -22.098629
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -5.315
flat angles C4'-P-C4' energy: -6.468
flat angles P-C4'-P energy: -0.335
tors. eta vs tors. theta energy: -3.851
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: 1
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -33.992319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.992319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.992319 (E_RNA)
where:
Base-Base interactions energy: -14.119
where: short stacking energy: -13.204
Base-Backbone interact. energy: -0.005
local terms energy: -19.868523
where:
bonds (distance) C4'-P energy: -3.572
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -6.082
flat angles P-C4'-P energy: -3.376
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: 1, replica: 10
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -53.592776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.592776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.592776 (E_RNA)
where:
Base-Base interactions energy: -24.660
where: short stacking energy: -24.660
Base-Backbone interact. energy: -0.000
local terms energy: -28.932354
where:
bonds (distance) C4'-P energy: -3.680
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -6.150
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -7.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -44.510371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.510371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.510371 (E_RNA)
where:
Base-Base interactions energy: -21.204
where: short stacking energy: -15.802
Base-Backbone interact. energy: -0.054
local terms energy: -23.252380
where:
bonds (distance) C4'-P energy: -5.253
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -5.796
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -2.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -44.333350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.333350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.333350 (E_RNA)
where:
Base-Base interactions energy: -20.679
where: short stacking energy: -16.293
Base-Backbone interact. energy: -0.003
local terms energy: -23.651247
where:
bonds (distance) C4'-P energy: -5.047
bonds (distance) P-C4' energy: -6.889
flat angles C4'-P-C4' energy: -5.470
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: -1.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -42.352071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.352071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.352071 (E_RNA)
where:
Base-Base interactions energy: -22.961
where: short stacking energy: -7.936
Base-Backbone interact. energy: -0.207
local terms energy: -19.184144
where:
bonds (distance) C4'-P energy: -5.617
bonds (distance) P-C4' energy: -4.850
flat angles C4'-P-C4' energy: -4.907
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: -0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -44.878998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.878998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.878998 (E_RNA)
where:
Base-Base interactions energy: -25.580
where: short stacking energy: -20.686
Base-Backbone interact. energy: -0.910
local terms energy: -18.389857
where:
bonds (distance) C4'-P energy: -2.501
bonds (distance) P-C4' energy: -4.227
flat angles C4'-P-C4' energy: -4.148
flat angles P-C4'-P energy: -3.771
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -45.518402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.518402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.518402 (E_RNA)
where:
Base-Base interactions energy: -18.915
where: short stacking energy: -18.915
Base-Backbone interact. energy: -0.000
local terms energy: -26.603162
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -5.143
flat angles P-C4'-P energy: -3.017
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -32.390198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.390198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.390198 (E_RNA)
where:
Base-Base interactions energy: -10.982
where: short stacking energy: -10.982
Base-Backbone interact. energy: 0.054
local terms energy: -21.462182
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -5.488
flat angles P-C4'-P energy: -3.443
tors. eta vs tors. theta energy: -1.798
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: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -35.725604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.725604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.725604 (E_RNA)
where:
Base-Base interactions energy: -12.863
where: short stacking energy: -12.863
Base-Backbone interact. energy: -0.006
local terms energy: -22.856779
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -5.273
flat angles C4'-P-C4' energy: -6.169
flat angles P-C4'-P energy: -2.290
tors. eta vs tors. theta energy: -3.368
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: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -34.475833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.475833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.475833 (E_RNA)
where:
Base-Base interactions energy: -11.960
where: short stacking energy: -11.960
Base-Backbone interact. energy: -0.005
local terms energy: -22.511151
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -5.678
flat angles C4'-P-C4' energy: -5.817
flat angles P-C4'-P energy: -4.586
tors. eta vs tors. theta energy: -1.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -29.475499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.475499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.475499 (E_RNA)
where:
Base-Base interactions energy: -6.471
where: short stacking energy: -6.471
Base-Backbone interact. energy: -0.001
local terms energy: -23.004241
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -5.519
flat angles P-C4'-P energy: -4.580
tors. eta vs tors. theta energy: -1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -49.831204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.831204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.831204 (E_RNA)
where:
Base-Base interactions energy: -20.290
where: short stacking energy: -20.290
Base-Backbone interact. energy: -0.000
local terms energy: -29.541063
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.081
flat angles P-C4'-P energy: -4.702
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -55.809038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.809038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.809038 (E_RNA)
where:
Base-Base interactions energy: -29.180
where: short stacking energy: -15.114
Base-Backbone interact. energy: -0.610
local terms energy: -26.019397
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.082
flat angles C4'-P-C4' energy: -6.515
flat angles P-C4'-P energy: -3.719
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -45.022088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.022088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.022088 (E_RNA)
where:
Base-Base interactions energy: -19.851
where: short stacking energy: -14.800
Base-Backbone interact. energy: -0.258
local terms energy: -24.912417
where:
bonds (distance) C4'-P energy: -4.056
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -5.534
flat angles P-C4'-P energy: -4.457
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: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -45.979830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.979830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.979830 (E_RNA)
where:
Base-Base interactions energy: -17.255
where: short stacking energy: -17.255
Base-Backbone interact. energy: -0.002
local terms energy: -28.722766
where:
bonds (distance) C4'-P energy: -5.589
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.921
flat angles P-C4'-P energy: -4.452
tors. eta vs tors. theta energy: -6.327
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: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -37.581258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.581258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.581258 (E_RNA)
where:
Base-Base interactions energy: -19.039
where: short stacking energy: -14.265
Base-Backbone interact. energy: 0.673
local terms energy: -19.215351
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -5.537
flat angles C4'-P-C4' energy: -5.679
flat angles P-C4'-P energy: -0.705
tors. eta vs tors. theta energy: -1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -39.672614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.672614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.672614 (E_RNA)
where:
Base-Base interactions energy: -13.669
where: short stacking energy: -13.669
Base-Backbone interact. energy: -0.000
local terms energy: -26.003664
where:
bonds (distance) C4'-P energy: -4.673
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -5.946
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -30.998808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.998808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.998808 (E_RNA)
where:
Base-Base interactions energy: -6.730
where: short stacking energy: -6.730
Base-Backbone interact. energy: -0.002
local terms energy: -24.267192
where:
bonds (distance) C4'-P energy: -4.880
bonds (distance) P-C4' energy: -5.050
flat angles C4'-P-C4' energy: -5.356
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -4.223
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: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -39.351354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.351354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.351354 (E_RNA)
where:
Base-Base interactions energy: -17.982
where: short stacking energy: -16.347
Base-Backbone interact. energy: -0.000
local terms energy: -21.369175
where:
bonds (distance) C4'-P energy: -3.423
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.468
flat angles P-C4'-P energy: -1.450
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -37.608741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.608741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.608741 (E_RNA)
where:
Base-Base interactions energy: -15.449
where: short stacking energy: -15.449
Base-Backbone interact. energy: -0.000
local terms energy: -22.159463
where:
bonds (distance) C4'-P energy: -5.153
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -3.770
tors. eta vs tors. theta energy: -2.709
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: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -33.970148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.970148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.970148 (E_RNA)
where:
Base-Base interactions energy: -10.543
where: short stacking energy: -10.543
Base-Backbone interact. energy: -0.001
local terms energy: -23.426245
where:
bonds (distance) C4'-P energy: -4.434
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -5.188
flat angles P-C4'-P energy: -3.987
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -54.424064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.424064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.424064 (E_RNA)
where:
Base-Base interactions energy: -24.556
where: short stacking energy: -24.556
Base-Backbone interact. energy: -0.000
local terms energy: -29.868090
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.535
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -7.977
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: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -55.765060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.765060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.765060 (E_RNA)
where:
Base-Base interactions energy: -26.261
where: short stacking energy: -26.261
Base-Backbone interact. energy: -0.000
local terms energy: -29.503644
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -6.007
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -6.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -48.437040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.437040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.437040 (E_RNA)
where:
Base-Base interactions energy: -18.819
where: short stacking energy: -18.819
Base-Backbone interact. energy: -0.000
local terms energy: -29.618116
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.059
flat angles P-C4'-P energy: -4.603
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: 4, replica: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -40.173139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.173139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.173139 (E_RNA)
where:
Base-Base interactions energy: -15.417
where: short stacking energy: -15.417
Base-Backbone interact. energy: -0.039
local terms energy: -24.716612
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -5.962
flat angles P-C4'-P energy: -3.196
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -46.167479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.167479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.167479 (E_RNA)
where:
Base-Base interactions energy: -18.751
where: short stacking energy: -18.751
Base-Backbone interact. energy: -0.000
local terms energy: -27.416487
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -4.764
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -6.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -38.870101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.870101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.870101 (E_RNA)
where:
Base-Base interactions energy: -17.466
where: short stacking energy: -17.466
Base-Backbone interact. energy: -0.000
local terms energy: -21.403233
where:
bonds (distance) C4'-P energy: -4.880
bonds (distance) P-C4' energy: -6.128
flat angles C4'-P-C4' energy: -5.279
flat angles P-C4'-P energy: -2.632
tors. eta vs tors. theta energy: -2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -40.686233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.686233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.686233 (E_RNA)
where:
Base-Base interactions energy: -18.170
where: short stacking energy: -18.170
Base-Backbone interact. energy: -0.000
local terms energy: -22.516185
where:
bonds (distance) C4'-P energy: -5.287
bonds (distance) P-C4' energy: -4.463
flat angles C4'-P-C4' energy: -5.533
flat angles P-C4'-P energy: -4.147
tors. eta vs tors. theta energy: -3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -40.279241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.279241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.279241 (E_RNA)
where:
Base-Base interactions energy: -15.311
where: short stacking energy: -15.311
Base-Backbone interact. energy: -0.048
local terms energy: -24.919517
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.496
flat angles P-C4'-P energy: -3.530
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: 9, replica: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -32.421293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.421293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.421293 (E_RNA)
where:
Base-Base interactions energy: -12.191
where: short stacking energy: -10.577
Base-Backbone interact. energy: -0.220
local terms energy: -20.009849
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.991
flat angles C4'-P-C4' energy: -6.099
flat angles P-C4'-P energy: -1.723
tors. eta vs tors. theta energy: -0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -34.009954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.009954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.009954 (E_RNA)
where:
Base-Base interactions energy: -13.059
where: short stacking energy: -13.059
Base-Backbone interact. energy: -0.002
local terms energy: -20.949259
where:
bonds (distance) C4'-P energy: -4.251
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -4.376
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -52.952949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.952949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.952949 (E_RNA)
where:
Base-Base interactions energy: -24.147
where: short stacking energy: -24.147
Base-Backbone interact. energy: -0.000
local terms energy: -28.805736
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.977
flat angles P-C4'-P energy: -4.084
tors. eta vs tors. theta energy: -6.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -45.060950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.060950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.060950 (E_RNA)
where:
Base-Base interactions energy: -16.705
where: short stacking energy: -16.705
Base-Backbone interact. energy: -0.000
local terms energy: -28.356160
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -5.755
flat angles C4'-P-C4' energy: -6.045
flat angles P-C4'-P energy: -3.760
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: 3, replica: 10
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -44.333009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.333009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.333009 (E_RNA)
where:
Base-Base interactions energy: -21.140
where: short stacking energy: -21.140
Base-Backbone interact. energy: -0.000
local terms energy: -23.192551
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -4.117
flat angles P-C4'-P energy: -2.431
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: 4, replica: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -38.850145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.850145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.850145 (E_RNA)
where:
Base-Base interactions energy: -14.235
where: short stacking energy: -14.235
Base-Backbone interact. energy: -0.003
local terms energy: -24.612000
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.506
flat angles C4'-P-C4' energy: -4.636
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -3.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -45.307581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.307581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.307581 (E_RNA)
where:
Base-Base interactions energy: -17.647
where: short stacking energy: -17.647
Base-Backbone interact. energy: -0.000
local terms energy: -27.660427
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -4.572
flat angles P-C4'-P energy: -5.161
tors. eta vs tors. theta energy: -5.428
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: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -33.812143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.812143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.812143 (E_RNA)
where:
Base-Base interactions energy: -11.938
where: short stacking energy: -11.938
Base-Backbone interact. energy: -0.015
local terms energy: -21.858824
where:
bonds (distance) C4'-P energy: -4.913
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.339
flat angles P-C4'-P energy: -3.788
tors. eta vs tors. theta energy: -0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -38.842435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.842435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.842435 (E_RNA)
where:
Base-Base interactions energy: -13.170
where: short stacking energy: -13.170
Base-Backbone interact. energy: -0.000
local terms energy: -25.672149
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -4.339
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: -4.662
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: 3
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -39.968843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.968843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.968843 (E_RNA)
where:
Base-Base interactions energy: -14.682
where: short stacking energy: -14.682
Base-Backbone interact. energy: -0.000
local terms energy: -25.286851
where:
bonds (distance) C4'-P energy: -4.337
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -5.677
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -5.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -31.614872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.614872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.614872 (E_RNA)
where:
Base-Base interactions energy: -12.011
where: short stacking energy: -8.577
Base-Backbone interact. energy: -0.046
local terms energy: -19.557628
where:
bonds (distance) C4'-P energy: -5.029
bonds (distance) P-C4' energy: -5.748
flat angles C4'-P-C4' energy: -4.607
flat angles P-C4'-P energy: -4.409
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: 10, replica: 1
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -34.732372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.732372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.732372 (E_RNA)
where:
Base-Base interactions energy: -8.807
where: short stacking energy: -8.807
Base-Backbone interact. energy: -0.000
local terms energy: -25.925796
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.977
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -52.629133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.629133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.629133 (E_RNA)
where:
Base-Base interactions energy: -31.340
where: short stacking energy: -12.484
Base-Backbone interact. energy: -0.085
local terms energy: -21.204691
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -1.890
flat angles P-C4'-P energy: -3.568
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -43.483646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.483646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.483646 (E_RNA)
where:
Base-Base interactions energy: -20.988
where: short stacking energy: -20.988
Base-Backbone interact. energy: -0.000
local terms energy: -22.495470
where:
bonds (distance) C4'-P energy: -3.786
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -4.443
flat angles P-C4'-P energy: -4.701
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: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -41.484462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.484462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.484462 (E_RNA)
where:
Base-Base interactions energy: -18.306
where: short stacking energy: -18.306
Base-Backbone interact. energy: -0.000
local terms energy: -23.177974
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -5.043
flat angles C4'-P-C4' energy: -3.921
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -42.547554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.547554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.547554 (E_RNA)
where:
Base-Base interactions energy: -14.885
where: short stacking energy: -14.885
Base-Backbone interact. energy: -0.000
local terms energy: -27.662135
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -5.708
flat angles C4'-P-C4' energy: -4.984
flat angles P-C4'-P energy: -5.111
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -40.788394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.788394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.788394 (E_RNA)
where:
Base-Base interactions energy: -16.634
where: short stacking energy: -16.634
Base-Backbone interact. energy: -0.000
local terms energy: -24.154235
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -4.836
flat angles C4'-P-C4' energy: -4.854
flat angles P-C4'-P energy: -3.619
tors. eta vs tors. theta energy: -5.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -34.891738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.891738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.891738 (E_RNA)
where:
Base-Base interactions energy: -18.224
where: short stacking energy: -8.648
Base-Backbone interact. energy: -0.002
local terms energy: -16.665615
where:
bonds (distance) C4'-P energy: -4.454
bonds (distance) P-C4' energy: -5.131
flat angles C4'-P-C4' energy: -2.804
flat angles P-C4'-P energy: -3.455
tors. eta vs tors. theta energy: -0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -32.615964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.615964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.615964 (E_RNA)
where:
Base-Base interactions energy: -13.791
where: short stacking energy: -13.791
Base-Backbone interact. energy: -0.022
local terms energy: -18.802462
where:
bonds (distance) C4'-P energy: -3.709
bonds (distance) P-C4' energy: -5.839
flat angles C4'-P-C4' energy: -5.541
flat angles P-C4'-P energy: -4.038
tors. eta vs tors. theta energy: 0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -43.370561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.370561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.370561 (E_RNA)
where:
Base-Base interactions energy: -18.365
where: short stacking energy: -18.365
Base-Backbone interact. energy: -0.000
local terms energy: -25.005855
where:
bonds (distance) C4'-P energy: -3.431
bonds (distance) P-C4' energy: -5.674
flat angles C4'-P-C4' energy: -5.621
flat angles P-C4'-P energy: -3.985
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: 9, replica: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -33.048769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.048769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.048769 (E_RNA)
where:
Base-Base interactions energy: -13.282
where: short stacking energy: -8.580
Base-Backbone interact. energy: -0.035
local terms energy: -19.732434
where:
bonds (distance) C4'-P energy: -5.617
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -6.090
flat angles P-C4'-P energy: -1.898
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: 1
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -35.851034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.851034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.851034 (E_RNA)
where:
Base-Base interactions energy: -15.137
where: short stacking energy: -15.137
Base-Backbone interact. energy: -0.001
local terms energy: -20.713697
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -5.442
flat angles C4'-P-C4' energy: -5.783
flat angles P-C4'-P energy: -4.273
tors. eta vs tors. theta energy: 0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -47.330452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.330452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.330452 (E_RNA)
where:
Base-Base interactions energy: -18.196
where: short stacking energy: -18.196
Base-Backbone interact. energy: -0.000
local terms energy: -29.133988
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -6.363
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -6.244
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: 6
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -45.014539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.014539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.014539 (E_RNA)
where:
Base-Base interactions energy: -18.751
where: short stacking energy: -18.751
Base-Backbone interact. energy: -0.000
local terms energy: -26.263758
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -6.918
flat angles C4'-P-C4' energy: -4.190
flat angles P-C4'-P energy: -3.445
tors. eta vs tors. theta energy: -6.442
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: 324
Temperature: 1.000000
Total energy: -54.855186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.855186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.855186 (E_RNA)
where:
Base-Base interactions energy: -31.998
where: short stacking energy: -19.218
Base-Backbone interact. energy: -0.053
local terms energy: -22.804376
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -5.579
flat angles C4'-P-C4' energy: -5.389
flat angles P-C4'-P energy: -2.346
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -50.142862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.142862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.142862 (E_RNA)
where:
Base-Base interactions energy: -19.608
where: short stacking energy: -19.608
Base-Backbone interact. energy: -0.000
local terms energy: -30.534407
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.564
flat angles P-C4'-P energy: -4.989
tors. eta vs tors. theta energy: -7.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -45.875471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.875471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.875471 (E_RNA)
where:
Base-Base interactions energy: -20.757
where: short stacking energy: -20.757
Base-Backbone interact. energy: -0.000
local terms energy: -25.118473
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -5.146
flat angles C4'-P-C4' energy: -4.550
flat angles P-C4'-P energy: -3.661
tors. eta vs tors. theta energy: -6.562
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: 6, replica: 9
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -35.926438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.926438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.926438 (E_RNA)
where:
Base-Base interactions energy: -18.230
where: short stacking energy: -13.340
Base-Backbone interact. energy: -0.006
local terms energy: -17.690285
where:
bonds (distance) C4'-P energy: -2.678
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -5.639
flat angles P-C4'-P energy: -3.111
tors. eta vs tors. theta energy: -0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -34.482396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.482396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.482396 (E_RNA)
where:
Base-Base interactions energy: -13.535
where: short stacking energy: -13.535
Base-Backbone interact. energy: -0.013
local terms energy: -20.934329
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -3.871
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -34.497908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.497908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.497908 (E_RNA)
where:
Base-Base interactions energy: -14.577
where: short stacking energy: -9.516
Base-Backbone interact. energy: -0.076
local terms energy: -19.845069
where:
bonds (distance) C4'-P energy: -3.733
bonds (distance) P-C4' energy: -6.202
flat angles C4'-P-C4' energy: -4.809
flat angles P-C4'-P energy: -2.687
tors. eta vs tors. theta energy: -2.414
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: 1
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -38.755010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.755010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.755010 (E_RNA)
where:
Base-Base interactions energy: -18.981
where: short stacking energy: -18.981
Base-Backbone interact. energy: -0.000
local terms energy: -19.773581
where:
bonds (distance) C4'-P energy: -5.286
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: 0.434
flat angles P-C4'-P energy: -3.404
tors. eta vs tors. theta energy: -5.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -36.405163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.405163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.405163 (E_RNA)
where:
Base-Base interactions energy: -16.431
where: short stacking energy: -14.054
Base-Backbone interact. energy: -0.002
local terms energy: -19.971504
where:
bonds (distance) C4'-P energy: -3.618
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -3.111
flat angles P-C4'-P energy: -3.367
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -49.292537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.292537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.292537 (E_RNA)
where:
Base-Base interactions energy: -21.868
where: short stacking energy: -21.868
Base-Backbone interact. energy: -0.073
local terms energy: -27.351544
where:
bonds (distance) C4'-P energy: -4.639
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.305
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -57.471024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.471024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.471024 (E_RNA)
where:
Base-Base interactions energy: -30.963
where: short stacking energy: -18.047
Base-Backbone interact. energy: -0.008
local terms energy: -26.499837
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.071
flat angles P-C4'-P energy: -3.523
tors. eta vs tors. theta energy: -4.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -42.747478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.747478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.747478 (E_RNA)
where:
Base-Base interactions energy: -19.851
where: short stacking energy: -19.851
Base-Backbone interact. energy: -0.000
local terms energy: -22.896607
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -3.799
flat angles P-C4'-P energy: -4.214
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: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -37.847807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.847807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.847807 (E_RNA)
where:
Base-Base interactions energy: -14.833
where: short stacking energy: -14.833
Base-Backbone interact. energy: -0.000
local terms energy: -23.014811
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -5.276
flat angles C4'-P-C4' energy: -5.548
flat angles P-C4'-P energy: -2.744
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -33.767958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.767958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.767958 (E_RNA)
where:
Base-Base interactions energy: -12.367
where: short stacking energy: -11.755
Base-Backbone interact. energy: -0.006
local terms energy: -21.394781
where:
bonds (distance) C4'-P energy: -2.740
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -6.186
flat angles P-C4'-P energy: -4.227
tors. eta vs tors. theta energy: -1.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -45.523583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.523583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.523583 (E_RNA)
where:
Base-Base interactions energy: -18.938
where: short stacking energy: -18.938
Base-Backbone interact. energy: -0.000
local terms energy: -26.585434
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -5.833
flat angles C4'-P-C4' energy: -6.447
flat angles P-C4'-P energy: -2.571
tors. eta vs tors. theta energy: -6.207
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: 325
Temperature: 1.200000
Total energy: -40.475578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.475578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.475578 (E_RNA)
where:
Base-Base interactions energy: -16.810
where: short stacking energy: -16.810
Base-Backbone interact. energy: -0.000
local terms energy: -23.665435
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -4.528
flat angles P-C4'-P energy: -4.192
tors. eta vs tors. theta energy: -2.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -40.912541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.912541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.912541 (E_RNA)
where:
Base-Base interactions energy: -16.269
where: short stacking energy: -16.269
Base-Backbone interact. energy: -0.007
local terms energy: -24.637181
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.906
flat angles P-C4'-P energy: -3.481
tors. eta vs tors. theta energy: -3.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -45.012134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.012134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.012134 (E_RNA)
where:
Base-Base interactions energy: -20.822
where: short stacking energy: -20.822
Base-Backbone interact. energy: -0.000
local terms energy: -24.190273
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -5.346
flat angles C4'-P-C4' energy: -4.650
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -35.816354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.816354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.816354 (E_RNA)
where:
Base-Base interactions energy: -15.548
where: short stacking energy: -10.550
Base-Backbone interact. energy: -0.009
local terms energy: -20.259521
where:
bonds (distance) C4'-P energy: -5.422
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -5.692
flat angles P-C4'-P energy: -2.365
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: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -56.889547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.889547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.889547 (E_RNA)
where:
Base-Base interactions energy: -30.433
where: short stacking energy: -18.670
Base-Backbone interact. energy: -0.008
local terms energy: -26.448751
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -6.014
flat angles P-C4'-P energy: -4.419
tors. eta vs tors. theta energy: -4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -44.586058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.586058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.586058 (E_RNA)
where:
Base-Base interactions energy: -19.121
where: short stacking energy: -19.121
Base-Backbone interact. energy: -0.000
local terms energy: -25.465112
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.050
flat angles P-C4'-P energy: -4.946
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: 3, replica: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -48.834115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.834115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.834115 (E_RNA)
where:
Base-Base interactions energy: -20.004
where: short stacking energy: -20.004
Base-Backbone interact. energy: -0.000
local terms energy: -28.829692
where:
bonds (distance) C4'-P energy: -4.019
bonds (distance) P-C4' energy: -5.755
flat angles C4'-P-C4' energy: -6.175
flat angles P-C4'-P energy: -4.723
tors. eta vs tors. theta energy: -8.158
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: 326
Temperature: 1.050000
Total energy: -48.577819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.577819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.577819 (E_RNA)
where:
Base-Base interactions energy: -25.558
where: short stacking energy: -10.238
Base-Backbone interact. energy: -0.008
local terms energy: -23.012127
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.626
flat angles P-C4'-P energy: -2.844
tors. eta vs tors. theta energy: -2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -42.917209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.917209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.917209 (E_RNA)
where:
Base-Base interactions energy: -20.996
where: short stacking energy: -16.115
Base-Backbone interact. energy: -0.000
local terms energy: -21.920716
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -3.004
flat angles C4'-P-C4' energy: -5.449
flat angles P-C4'-P energy: -3.477
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -34.890517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.890517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.890517 (E_RNA)
where:
Base-Base interactions energy: -9.860
where: short stacking energy: -9.860
Base-Backbone interact. energy: -0.069
local terms energy: -24.961018
where:
bonds (distance) C4'-P energy: -6.160
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.712
flat angles P-C4'-P energy: -3.467
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -33.503025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.503025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.503025 (E_RNA)
where:
Base-Base interactions energy: -14.083
where: short stacking energy: -14.083
Base-Backbone interact. energy: -0.080
local terms energy: -19.339729
where:
bonds (distance) C4'-P energy: -3.104
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.356
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -36.605442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.605442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.605442 (E_RNA)
where:
Base-Base interactions energy: -12.889
where: short stacking energy: -12.889
Base-Backbone interact. energy: -0.009
local terms energy: -23.707354
where:
bonds (distance) C4'-P energy: -5.737
bonds (distance) P-C4' energy: -4.460
flat angles C4'-P-C4' energy: -5.864
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: -4.255
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: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -31.268724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.268724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.268724 (E_RNA)
where:
Base-Base interactions energy: -12.691
where: short stacking energy: -8.900
Base-Backbone interact. energy: -0.086
local terms energy: -18.491113
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -5.517
flat angles P-C4'-P energy: -3.749
tors. eta vs tors. theta energy: 1.070
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: 10, replica: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -31.709837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.709837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.709837 (E_RNA)
where:
Base-Base interactions energy: -15.873
where: short stacking energy: -15.873
Base-Backbone interact. energy: -0.009
local terms energy: -15.827364
where:
bonds (distance) C4'-P energy: -4.471
bonds (distance) P-C4' energy: -1.589
flat angles C4'-P-C4' energy: -3.742
flat angles P-C4'-P energy: -4.266
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -41.848782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.848782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.848782 (E_RNA)
where:
Base-Base interactions energy: -16.627
where: short stacking energy: -16.627
Base-Backbone interact. energy: -0.106
local terms energy: -25.115899
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.635
flat angles C4'-P-C4' energy: -5.771
flat angles P-C4'-P energy: -4.536
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: 2, replica: 10
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -42.262844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.262844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.262844 (E_RNA)
where:
Base-Base interactions energy: -17.012
where: short stacking energy: -17.012
Base-Backbone interact. energy: -0.000
local terms energy: -25.251190
where:
bonds (distance) C4'-P energy: -2.967
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -6.409
flat angles P-C4'-P energy: -4.200
tors. eta vs tors. theta energy: -5.290
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: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -42.187200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.187200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.187200 (E_RNA)
where:
Base-Base interactions energy: -22.234
where: short stacking energy: -12.424
Base-Backbone interact. energy: -0.029
local terms energy: -19.924879
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -5.146
flat angles C4'-P-C4' energy: -6.326
flat angles P-C4'-P energy: -3.027
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: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -46.003425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.003425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.003425 (E_RNA)
where:
Base-Base interactions energy: -18.991
where: short stacking energy: -18.991
Base-Backbone interact. energy: -0.000
local terms energy: -27.012084
where:
bonds (distance) C4'-P energy: -5.029
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.075
flat angles P-C4'-P energy: -4.540
tors. eta vs tors. theta energy: -5.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -42.678188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.678188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.678188 (E_RNA)
where:
Base-Base interactions energy: -15.902
where: short stacking energy: -15.902
Base-Backbone interact. energy: -0.008
local terms energy: -26.768944
where:
bonds (distance) C4'-P energy: -4.339
bonds (distance) P-C4' energy: -6.678
flat angles C4'-P-C4' energy: -6.090
flat angles P-C4'-P energy: -4.877
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -38.613130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.613130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.613130 (E_RNA)
where:
Base-Base interactions energy: -20.573
where: short stacking energy: -10.131
Base-Backbone interact. energy: -0.049
local terms energy: -17.991480
where:
bonds (distance) C4'-P energy: -4.508
bonds (distance) P-C4' energy: -5.435
flat angles C4'-P-C4' energy: -6.519
flat angles P-C4'-P energy: -2.711
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: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -35.203963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.203963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.203963 (E_RNA)
where:
Base-Base interactions energy: -9.545
where: short stacking energy: -9.545
Base-Backbone interact. energy: -0.001
local terms energy: -25.658031
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.327
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -37.384723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.384723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.384723 (E_RNA)
where:
Base-Base interactions energy: -15.529
where: short stacking energy: -15.529
Base-Backbone interact. energy: -0.095
local terms energy: -21.761327
where:
bonds (distance) C4'-P energy: -4.516
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -2.626
flat angles P-C4'-P energy: -4.598
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -33.494294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.494294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.494294 (E_RNA)
where:
Base-Base interactions energy: -9.685
where: short stacking energy: -9.685
Base-Backbone interact. energy: -0.000
local terms energy: -23.808700
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -6.096
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -0.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -39.192946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.192946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.192946 (E_RNA)
where:
Base-Base interactions energy: -14.560
where: short stacking energy: -14.560
Base-Backbone interact. energy: -0.000
local terms energy: -24.632466
where:
bonds (distance) C4'-P energy: -5.062
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.676
flat angles P-C4'-P energy: -3.351
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -51.636150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.636150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.636150 (E_RNA)
where:
Base-Base interactions energy: -23.403
where: short stacking energy: -23.403
Base-Backbone interact. energy: -0.000
local terms energy: -28.233175
where:
bonds (distance) C4'-P energy: -4.843
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.808
flat angles P-C4'-P energy: -3.992
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -44.334436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.334436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.334436 (E_RNA)
where:
Base-Base interactions energy: -19.407
where: short stacking energy: -19.407
Base-Backbone interact. energy: -0.000
local terms energy: -24.927253
where:
bonds (distance) C4'-P energy: -3.874
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.766
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -3.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -43.148415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.148415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.148415 (E_RNA)
where:
Base-Base interactions energy: -17.922
where: short stacking energy: -17.922
Base-Backbone interact. energy: -0.000
local terms energy: -25.226704
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -4.831
flat angles P-C4'-P energy: -4.314
tors. eta vs tors. theta energy: -4.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -42.621500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.621500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.621500 (E_RNA)
where:
Base-Base interactions energy: -15.816
where: short stacking energy: -15.816
Base-Backbone interact. energy: -0.000
local terms energy: -26.805612
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -6.557
flat angles P-C4'-P energy: -4.030
tors. eta vs tors. theta energy: -4.161
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: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -44.323575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.323575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.323575 (E_RNA)
where:
Base-Base interactions energy: -18.268
where: short stacking energy: -18.268
Base-Backbone interact. energy: -0.000
local terms energy: -26.055337
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -5.680
flat angles C4'-P-C4' energy: -5.608
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -3.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -42.569584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.569584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.569584 (E_RNA)
where:
Base-Base interactions energy: -21.507
where: short stacking energy: -21.507
Base-Backbone interact. energy: -0.000
local terms energy: -21.062380
where:
bonds (distance) C4'-P energy: -3.920
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -3.803
flat angles P-C4'-P energy: -2.397
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -41.534796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.534796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.534796 (E_RNA)
where:
Base-Base interactions energy: -19.073
where: short stacking energy: -19.073
Base-Backbone interact. energy: -0.001
local terms energy: -22.461231
where:
bonds (distance) C4'-P energy: -5.169
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -3.564
flat angles P-C4'-P energy: -3.714
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -39.117936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.117936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.117936 (E_RNA)
where:
Base-Base interactions energy: -18.512
where: short stacking energy: -18.512
Base-Backbone interact. energy: -0.000
local terms energy: -20.605479
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -1.318
flat angles P-C4'-P energy: -3.285
tors. eta vs tors. theta energy: -3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -35.774699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.774699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.774699 (E_RNA)
where:
Base-Base interactions energy: -13.722
where: short stacking energy: -13.722
Base-Backbone interact. energy: -0.002
local terms energy: -22.050338
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -2.233
flat angles P-C4'-P energy: -4.248
tors. eta vs tors. theta energy: -4.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -39.646770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.646770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.646770 (E_RNA)
where:
Base-Base interactions energy: -15.353
where: short stacking energy: -13.643
Base-Backbone interact. energy: -0.260
local terms energy: -24.033120
where:
bonds (distance) C4'-P energy: -6.168
bonds (distance) P-C4' energy: -6.364
flat angles C4'-P-C4' energy: -5.811
flat angles P-C4'-P energy: -0.883
tors. eta vs tors. theta energy: -4.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -49.652375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.652375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.652375 (E_RNA)
where:
Base-Base interactions energy: -22.000
where: short stacking energy: -22.000
Base-Backbone interact. energy: -0.000
local terms energy: -27.652614
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.122
flat angles C4'-P-C4' energy: -3.956
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: -7.364
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: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -49.645322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.645322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.645322 (E_RNA)
where:
Base-Base interactions energy: -22.216
where: short stacking energy: -20.395
Base-Backbone interact. energy: -0.001
local terms energy: -27.428665
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.253
flat angles P-C4'-P energy: -4.193
tors. eta vs tors. theta energy: -5.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -41.995625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.995625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.995625 (E_RNA)
where:
Base-Base interactions energy: -16.590
where: short stacking energy: -16.590
Base-Backbone interact. energy: -0.000
local terms energy: -25.405164
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -5.597
flat angles P-C4'-P energy: -5.160
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -36.860930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.860930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.860930 (E_RNA)
where:
Base-Base interactions energy: -15.881
where: short stacking energy: -13.393
Base-Backbone interact. energy: -0.016
local terms energy: -20.964087
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -5.671
flat angles C4'-P-C4' energy: -5.150
flat angles P-C4'-P energy: -2.358
tors. eta vs tors. theta energy: -2.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -38.072788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.072788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.072788 (E_RNA)
where:
Base-Base interactions energy: -17.770
where: short stacking energy: -11.347
Base-Backbone interact. energy: -0.000
local terms energy: -20.302136
where:
bonds (distance) C4'-P energy: -3.882
bonds (distance) P-C4' energy: -5.699
flat angles C4'-P-C4' energy: -5.824
flat angles P-C4'-P energy: -2.847
tors. eta vs tors. theta energy: -2.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -37.139217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.139217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.139217 (E_RNA)
where:
Base-Base interactions energy: -16.808
where: short stacking energy: -14.506
Base-Backbone interact. energy: -0.002
local terms energy: -20.329774
where:
bonds (distance) C4'-P energy: -4.797
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -6.095
flat angles P-C4'-P energy: -3.176
tors. eta vs tors. theta energy: -0.081
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: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -33.929411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.929411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.929411 (E_RNA)
where:
Base-Base interactions energy: -14.227
where: short stacking energy: -14.227
Base-Backbone interact. energy: -0.000
local terms energy: -19.702378
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -3.366
flat angles P-C4'-P energy: -2.584
tors. eta vs tors. theta energy: -1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -32.840127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.840127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.840127 (E_RNA)
where:
Base-Base interactions energy: -13.725
where: short stacking energy: -12.417
Base-Backbone interact. energy: -0.105
local terms energy: -19.010207
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -2.602
flat angles P-C4'-P energy: -4.589
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: 9, replica: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -39.055164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.055164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.055164 (E_RNA)
where:
Base-Base interactions energy: -19.979
where: short stacking energy: -19.979
Base-Backbone interact. energy: -0.002
local terms energy: -19.074456
where:
bonds (distance) C4'-P energy: -4.909
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.454
flat angles P-C4'-P energy: 1.717
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -32.729720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.729720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.729720 (E_RNA)
where:
Base-Base interactions energy: -13.532
where: short stacking energy: -13.532
Base-Backbone interact. energy: -0.001
local terms energy: -19.197374
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -6.432
flat angles P-C4'-P energy: 0.557
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -50.347957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.347957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.347957 (E_RNA)
where:
Base-Base interactions energy: -21.874
where: short stacking energy: -21.874
Base-Backbone interact. energy: -0.002
local terms energy: -28.472151
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -6.127
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -6.081
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: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -51.920513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.920513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.920513 (E_RNA)
where:
Base-Base interactions energy: -21.782
where: short stacking energy: -21.782
Base-Backbone interact. energy: -0.000
local terms energy: -30.138437
where:
bonds (distance) C4'-P energy: -4.877
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -6.253
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -40.693618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.693618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.693618 (E_RNA)
where:
Base-Base interactions energy: -20.162
where: short stacking energy: -13.894
Base-Backbone interact. energy: -0.061
local terms energy: -20.471363
where:
bonds (distance) C4'-P energy: -3.051
bonds (distance) P-C4' energy: -4.300
flat angles C4'-P-C4' energy: -5.569
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -2.285
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: 1
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -44.715509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.715509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.715509 (E_RNA)
where:
Base-Base interactions energy: -18.666
where: short stacking energy: -18.764
Base-Backbone interact. energy: -0.015
local terms energy: -26.035042
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -5.673
flat angles P-C4'-P energy: -3.428
tors. eta vs tors. theta energy: -4.969
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: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -42.177080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.177080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.177080 (E_RNA)
where:
Base-Base interactions energy: -17.995
where: short stacking energy: -17.995
Base-Backbone interact. energy: -0.007
local terms energy: -24.175817
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.515
flat angles C4'-P-C4' energy: -6.427
flat angles P-C4'-P energy: -3.393
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -37.865664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.865664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.865664 (E_RNA)
where:
Base-Base interactions energy: -14.267
where: short stacking energy: -14.267
Base-Backbone interact. energy: -0.000
local terms energy: -23.598940
where:
bonds (distance) C4'-P energy: -4.707
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.780
flat angles P-C4'-P energy: -2.963
tors. eta vs tors. theta energy: -3.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -37.101070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.101070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.101070 (E_RNA)
where:
Base-Base interactions energy: -18.336
where: short stacking energy: -13.519
Base-Backbone interact. energy: -0.027
local terms energy: -18.738150
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -4.520
flat angles P-C4'-P energy: -0.392
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -29.872110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.872110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.872110 (E_RNA)
where:
Base-Base interactions energy: -10.889
where: short stacking energy: -10.889
Base-Backbone interact. energy: -0.000
local terms energy: -18.982955
where:
bonds (distance) C4'-P energy: -3.084
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -5.554
flat angles P-C4'-P energy: -3.157
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: 9, replica: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -32.054378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.054378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.054378 (E_RNA)
where:
Base-Base interactions energy: -10.898
where: short stacking energy: -10.898
Base-Backbone interact. energy: -0.000
local terms energy: -21.156785
where:
bonds (distance) C4'-P energy: -3.813
bonds (distance) P-C4' energy: -3.798
flat angles C4'-P-C4' energy: -6.278
flat angles P-C4'-P energy: -3.690
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: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -34.389557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.389557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.389557 (E_RNA)
where:
Base-Base interactions energy: -12.718
where: short stacking energy: -12.718
Base-Backbone interact. energy: -0.037
local terms energy: -21.634381
where:
bonds (distance) C4'-P energy: -6.276
bonds (distance) P-C4' energy: -4.822
flat angles C4'-P-C4' energy: -3.525
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -2.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -52.520981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.520981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.520981 (E_RNA)
where:
Base-Base interactions energy: -25.171
where: short stacking energy: -25.171
Base-Backbone interact. energy: -0.000
local terms energy: -27.350256
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -6.355
flat angles C4'-P-C4' energy: -6.243
flat angles P-C4'-P energy: -1.546
tors. eta vs tors. theta energy: -8.115
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: 331
Temperature: 0.950000
Total energy: -49.867040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.867040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.867040 (E_RNA)
where:
Base-Base interactions energy: -23.607
where: short stacking energy: -23.607
Base-Backbone interact. energy: -0.000
local terms energy: -26.260075
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -4.268
flat angles P-C4'-P energy: -3.952
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -44.000884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.000884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.000884 (E_RNA)
where:
Base-Base interactions energy: -18.610
where: short stacking energy: -18.610
Base-Backbone interact. energy: -0.011
local terms energy: -25.379375
where:
bonds (distance) C4'-P energy: -5.000
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -4.704
flat angles P-C4'-P energy: -4.924
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: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -43.598080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.598080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.598080 (E_RNA)
where:
Base-Base interactions energy: -20.774
where: short stacking energy: -20.774
Base-Backbone interact. energy: -0.000
local terms energy: -22.824391
where:
bonds (distance) C4'-P energy: -5.128
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -6.280
flat angles P-C4'-P energy: -0.659
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -37.962047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.962047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.962047 (E_RNA)
where:
Base-Base interactions energy: -17.560
where: short stacking energy: -8.846
Base-Backbone interact. energy: -0.002
local terms energy: -20.399443
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -3.328
flat angles P-C4'-P energy: -3.391
tors. eta vs tors. theta energy: -1.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -41.992223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.992223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.992223 (E_RNA)
where:
Base-Base interactions energy: -15.699
where: short stacking energy: -15.699
Base-Backbone interact. energy: -0.000
local terms energy: -26.293043
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -5.146
flat angles C4'-P-C4' energy: -4.581
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -5.601
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: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -36.213125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.213125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.213125 (E_RNA)
where:
Base-Base interactions energy: -14.732
where: short stacking energy: -14.732
Base-Backbone interact. energy: -0.002
local terms energy: -21.478463
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -3.191
flat angles P-C4'-P energy: -1.987
tors. eta vs tors. theta energy: -3.536
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: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -39.009428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.009428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.009428 (E_RNA)
where:
Base-Base interactions energy: -15.428
where: short stacking energy: -15.428
Base-Backbone interact. energy: -0.129
local terms energy: -23.452786
where:
bonds (distance) C4'-P energy: -6.168
bonds (distance) P-C4' energy: -4.603
flat angles C4'-P-C4' energy: -3.960
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -43.362652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.362652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.362652 (E_RNA)
where:
Base-Base interactions energy: -19.367
where: short stacking energy: -19.367
Base-Backbone interact. energy: -0.000
local terms energy: -23.995743
where:
bonds (distance) C4'-P energy: -5.393
bonds (distance) P-C4' energy: -4.751
flat angles C4'-P-C4' energy: -3.754
flat angles P-C4'-P energy: -4.082
tors. eta vs tors. theta energy: -6.015
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: 331
Temperature: 1.350000
Total energy: -33.134689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.134689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.134689 (E_RNA)
where:
Base-Base interactions energy: -12.566
where: short stacking energy: -9.017
Base-Backbone interact. energy: -0.164
local terms energy: -20.404648
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -5.009
flat angles P-C4'-P energy: -3.573
tors. eta vs tors. theta energy: 0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -53.958172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.958172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.958172 (E_RNA)
where:
Base-Base interactions energy: -25.012
where: short stacking energy: -25.012
Base-Backbone interact. energy: -0.000
local terms energy: -28.946549
where:
bonds (distance) C4'-P energy: -4.010
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -6.006
flat angles P-C4'-P energy: -5.211
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: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -46.263431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.263431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.263431 (E_RNA)
where:
Base-Base interactions energy: -20.621
where: short stacking energy: -20.621
Base-Backbone interact. energy: -0.000
local terms energy: -25.642711
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -6.442
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: -1.484
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: 3, replica: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -41.747832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.747832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.747832 (E_RNA)
where:
Base-Base interactions energy: -18.260
where: short stacking energy: -10.808
Base-Backbone interact. energy: -0.264
local terms energy: -23.223935
where:
bonds (distance) C4'-P energy: -6.023
bonds (distance) P-C4' energy: -5.445
flat angles C4'-P-C4' energy: -5.829
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -1.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -42.212227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.212227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.212227 (E_RNA)
where:
Base-Base interactions energy: -18.223
where: short stacking energy: -18.223
Base-Backbone interact. energy: -0.000
local terms energy: -23.988885
where:
bonds (distance) C4'-P energy: -2.889
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -5.781
flat angles P-C4'-P energy: -3.525
tors. eta vs tors. theta energy: -6.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -47.040651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.040651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.040651 (E_RNA)
where:
Base-Base interactions energy: -22.239
where: short stacking energy: -22.239
Base-Backbone interact. energy: -0.026
local terms energy: -24.775459
where:
bonds (distance) C4'-P energy: -3.493
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -6.155
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -38.210101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.210101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.210101 (E_RNA)
where:
Base-Base interactions energy: -17.772
where: short stacking energy: -17.772
Base-Backbone interact. energy: -0.041
local terms energy: -20.397513
where:
bonds (distance) C4'-P energy: -5.323
bonds (distance) P-C4' energy: -4.107
flat angles C4'-P-C4' energy: -4.552
flat angles P-C4'-P energy: -2.958
tors. eta vs tors. theta energy: -3.458
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: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -37.478165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.478165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.478165 (E_RNA)
where:
Base-Base interactions energy: -18.695
where: short stacking energy: -9.062
Base-Backbone interact. energy: -0.153
local terms energy: -18.630874
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.585
flat angles P-C4'-P energy: -3.398
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: 8, replica: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -37.866043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.866043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.866043 (E_RNA)
where:
Base-Base interactions energy: -14.845
where: short stacking energy: -14.845
Base-Backbone interact. energy: -0.004
local terms energy: -23.017672
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -4.290
flat angles C4'-P-C4' energy: -6.696
flat angles P-C4'-P energy: -4.679
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: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -34.060813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.060813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.060813 (E_RNA)
where:
Base-Base interactions energy: -13.065
where: short stacking energy: -7.372
Base-Backbone interact. energy: -0.037
local terms energy: -20.958641
where:
bonds (distance) C4'-P energy: -4.624
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -3.963
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -35.283073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.283073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.283073 (E_RNA)
where:
Base-Base interactions energy: -14.658
where: short stacking energy: -14.658
Base-Backbone interact. energy: -0.000
local terms energy: -20.625282
where:
bonds (distance) C4'-P energy: -4.392
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -5.396
flat angles P-C4'-P energy: -2.946
tors. eta vs tors. theta energy: -2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -49.272595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.272595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.272595 (E_RNA)
where:
Base-Base interactions energy: -27.210
where: short stacking energy: -15.468
Base-Backbone interact. energy: -0.001
local terms energy: -22.062394
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -2.311
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: -3.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -43.293954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.293954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.293954 (E_RNA)
where:
Base-Base interactions energy: -18.203
where: short stacking energy: -18.203
Base-Backbone interact. energy: -0.000
local terms energy: -25.090551
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -6.048
flat angles P-C4'-P energy: -4.239
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -41.760301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.760301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.760301 (E_RNA)
where:
Base-Base interactions energy: -16.436
where: short stacking energy: -16.436
Base-Backbone interact. energy: -0.004
local terms energy: -25.320701
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -6.460
flat angles C4'-P-C4' energy: -5.408
flat angles P-C4'-P energy: -4.116
tors. eta vs tors. theta energy: -3.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -45.022001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.022001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.022001 (E_RNA)
where:
Base-Base interactions energy: -19.516
where: short stacking energy: -19.516
Base-Backbone interact. energy: -0.000
local terms energy: -25.505445
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -5.677
flat angles C4'-P-C4' energy: -5.750
flat angles P-C4'-P energy: -3.337
tors. eta vs tors. theta energy: -5.666
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: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -39.626288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.626288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.626288 (E_RNA)
where:
Base-Base interactions energy: -15.831
where: short stacking energy: -15.831
Base-Backbone interact. energy: -0.000
local terms energy: -23.795348
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -4.202
flat angles P-C4'-P energy: -3.257
tors. eta vs tors. theta energy: -4.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -41.633703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.633703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.633703 (E_RNA)
where:
Base-Base interactions energy: -17.512
where: short stacking energy: -17.512
Base-Backbone interact. energy: -0.000
local terms energy: -24.121366
where:
bonds (distance) C4'-P energy: -5.117
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -2.959
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -35.442124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.442124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.442124 (E_RNA)
where:
Base-Base interactions energy: -16.484
where: short stacking energy: -16.484
Base-Backbone interact. energy: -0.003
local terms energy: -18.955896
where:
bonds (distance) C4'-P energy: -3.547
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -4.850
flat angles P-C4'-P energy: -2.225
tors. eta vs tors. theta energy: -2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -32.309111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.309111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.309111 (E_RNA)
where:
Base-Base interactions energy: -9.053
where: short stacking energy: -9.053
Base-Backbone interact. energy: -0.109
local terms energy: -23.146849
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.868
flat angles C4'-P-C4' energy: -5.970
flat angles P-C4'-P energy: -4.696
tors. eta vs tors. theta energy: -0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -38.460403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.460403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.460403 (E_RNA)
where:
Base-Base interactions energy: -15.489
where: short stacking energy: -14.132
Base-Backbone interact. energy: -0.002
local terms energy: -22.969482
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -4.681
flat angles C4'-P-C4' energy: -6.099
flat angles P-C4'-P energy: -2.568
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -35.280771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.280771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.280771 (E_RNA)
where:
Base-Base interactions energy: -13.420
where: short stacking energy: -13.420
Base-Backbone interact. energy: -0.161
local terms energy: -21.700005
where:
bonds (distance) C4'-P energy: -4.871
bonds (distance) P-C4' energy: -5.576
flat angles C4'-P-C4' energy: -6.485
flat angles P-C4'-P energy: -2.240
tors. eta vs tors. theta energy: -2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -40.955058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.955058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.955058 (E_RNA)
where:
Base-Base interactions energy: -15.665
where: short stacking energy: -15.665
Base-Backbone interact. energy: -0.050
local terms energy: -25.240513
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -4.984
flat angles C4'-P-C4' energy: -6.298
flat angles P-C4'-P energy: -4.171
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: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -46.874423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.874423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.874423 (E_RNA)
where:
Base-Base interactions energy: -20.275
where: short stacking energy: -20.275
Base-Backbone interact. energy: -0.000
local terms energy: -26.599427
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -6.203
flat angles C4'-P-C4' energy: -5.565
flat angles P-C4'-P energy: -4.120
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -43.641168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.641168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.641168 (E_RNA)
where:
Base-Base interactions energy: -17.361
where: short stacking energy: -17.361
Base-Backbone interact. energy: -0.048
local terms energy: -26.231581
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -6.385
flat angles P-C4'-P energy: -4.603
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: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -45.318832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.318832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.318832 (E_RNA)
where:
Base-Base interactions energy: -22.211
where: short stacking energy: -11.986
Base-Backbone interact. energy: -0.100
local terms energy: -23.008155
where:
bonds (distance) C4'-P energy: -5.349
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -5.754
flat angles P-C4'-P energy: -2.872
tors. eta vs tors. theta energy: -2.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -39.771640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.771640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.771640 (E_RNA)
where:
Base-Base interactions energy: -15.120
where: short stacking energy: -15.120
Base-Backbone interact. energy: -0.000
local terms energy: -24.651986
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -4.233
flat angles C4'-P-C4' energy: -5.434
flat angles P-C4'-P energy: -4.610
tors. eta vs tors. theta energy: -4.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -36.752547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.752547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.752547 (E_RNA)
where:
Base-Base interactions energy: -15.551
where: short stacking energy: -7.281
Base-Backbone interact. energy: 0.906
local terms energy: -22.108150
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -5.304
flat angles C4'-P-C4' energy: -5.398
flat angles P-C4'-P energy: -4.810
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: 7, replica: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -37.100872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.100872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.100872 (E_RNA)
where:
Base-Base interactions energy: -20.105
where: short stacking energy: -20.105
Base-Backbone interact. energy: -0.001
local terms energy: -16.995113
where:
bonds (distance) C4'-P energy: -4.214
bonds (distance) P-C4' energy: -3.282
flat angles C4'-P-C4' energy: -2.730
flat angles P-C4'-P energy: -1.959
tors. eta vs tors. theta energy: -4.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -31.444671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.444671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.444671 (E_RNA)
where:
Base-Base interactions energy: -9.150
where: short stacking energy: -9.150
Base-Backbone interact. energy: -0.001
local terms energy: -22.293828
where:
bonds (distance) C4'-P energy: -3.910
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -4.488
flat angles P-C4'-P energy: -5.324
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: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -36.334747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.334747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.334747 (E_RNA)
where:
Base-Base interactions energy: -11.401
where: short stacking energy: -11.401
Base-Backbone interact. energy: -0.077
local terms energy: -24.856590
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -6.171
flat angles P-C4'-P energy: -3.930
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -38.262052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.262052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.262052 (E_RNA)
where:
Base-Base interactions energy: -15.097
where: short stacking energy: -15.097
Base-Backbone interact. energy: -0.006
local terms energy: -23.159571
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -6.274
flat angles P-C4'-P energy: -3.927
tors. eta vs tors. theta energy: -1.107
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: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -43.941530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.941530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.941530 (E_RNA)
where:
Base-Base interactions energy: -18.113
where: short stacking energy: -18.113
Base-Backbone interact. energy: -0.100
local terms energy: -25.728306
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.810
flat angles P-C4'-P energy: -4.859
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -50.034240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.034240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.034240 (E_RNA)
where:
Base-Base interactions energy: -22.298
where: short stacking energy: -22.298
Base-Backbone interact. energy: -0.000
local terms energy: -27.736509
where:
bonds (distance) C4'-P energy: -3.874
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.956
flat angles P-C4'-P energy: -4.158
tors. eta vs tors. theta energy: -7.103
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: 335
Temperature: 1.000000
Total energy: -49.730884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.730884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.730884 (E_RNA)
where:
Base-Base interactions energy: -33.072
where: short stacking energy: -16.621
Base-Backbone interact. energy: -0.059
local terms energy: -16.599129
where:
bonds (distance) C4'-P energy: -4.346
bonds (distance) P-C4' energy: -5.469
flat angles C4'-P-C4' energy: -2.994
flat angles P-C4'-P energy: -2.165
tors. eta vs tors. theta energy: -1.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -44.880787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.880787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.880787 (E_RNA)
where:
Base-Base interactions energy: -17.956
where: short stacking energy: -17.956
Base-Backbone interact. energy: -0.001
local terms energy: -26.923038
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.893
flat angles P-C4'-P energy: -3.036
tors. eta vs tors. theta energy: -5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -36.304030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.304030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.304030 (E_RNA)
where:
Base-Base interactions energy: -15.297
where: short stacking energy: -11.923
Base-Backbone interact. energy: -0.003
local terms energy: -21.004474
where:
bonds (distance) C4'-P energy: -5.953
bonds (distance) P-C4' energy: -2.867
flat angles C4'-P-C4' energy: -3.681
flat angles P-C4'-P energy: -2.716
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: 6, replica: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -41.713266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.713266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.713266 (E_RNA)
where:
Base-Base interactions energy: -18.804
where: short stacking energy: -18.804
Base-Backbone interact. energy: -0.000
local terms energy: -22.908786
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.588
flat angles P-C4'-P energy: -2.234
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: 7, replica: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -41.185973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.185973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.185973 (E_RNA)
where:
Base-Base interactions energy: -17.611
where: short stacking energy: -17.611
Base-Backbone interact. energy: 0.333
local terms energy: -23.908399
where:
bonds (distance) C4'-P energy: -4.135
bonds (distance) P-C4' energy: -5.209
flat angles C4'-P-C4' energy: -6.170
flat angles P-C4'-P energy: -3.228
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: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -33.320193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.320193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.320193 (E_RNA)
where:
Base-Base interactions energy: -13.432
where: short stacking energy: -13.432
Base-Backbone interact. energy: -0.100
local terms energy: -19.788992
where:
bonds (distance) C4'-P energy: -3.200
bonds (distance) P-C4' energy: -4.248
flat angles C4'-P-C4' energy: -5.441
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -34.925075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.925075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.925075 (E_RNA)
where:
Base-Base interactions energy: -12.354
where: short stacking energy: -12.354
Base-Backbone interact. energy: -0.004
local terms energy: -22.567053
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.932
flat angles P-C4'-P energy: -1.449
tors. eta vs tors. theta energy: -3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -34.872507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.872507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.872507 (E_RNA)
where:
Base-Base interactions energy: -17.128
where: short stacking energy: -7.812
Base-Backbone interact. energy: -0.005
local terms energy: -17.739954
where:
bonds (distance) C4'-P energy: -5.179
bonds (distance) P-C4' energy: -5.680
flat angles C4'-P-C4' energy: -3.632
flat angles P-C4'-P energy: -2.931
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: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -51.871248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.871248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.871248 (E_RNA)
where:
Base-Base interactions energy: -25.014
where: short stacking energy: -25.014
Base-Backbone interact. energy: -0.000
local terms energy: -26.857020
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.153
flat angles C4'-P-C4' energy: -6.236
flat angles P-C4'-P energy: -3.230
tors. eta vs tors. theta energy: -6.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -48.413891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.413891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.413891 (E_RNA)
where:
Base-Base interactions energy: -22.726
where: short stacking energy: -22.726
Base-Backbone interact. energy: 0.001
local terms energy: -25.688749
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -4.768
flat angles P-C4'-P energy: -2.832
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -50.407598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.407598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.407598 (E_RNA)
where:
Base-Base interactions energy: -22.383
where: short stacking energy: -22.383
Base-Backbone interact. energy: -0.000
local terms energy: -28.024356
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.495
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: -6.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -43.241538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.241538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.241538 (E_RNA)
where:
Base-Base interactions energy: -21.520
where: short stacking energy: -12.374
Base-Backbone interact. energy: -0.230
local terms energy: -21.491624
where:
bonds (distance) C4'-P energy: -4.993
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.611
flat angles P-C4'-P energy: -2.549
tors. eta vs tors. theta energy: -1.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -46.481996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.481996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.481996 (E_RNA)
where:
Base-Base interactions energy: -23.057
where: short stacking energy: -23.057
Base-Backbone interact. energy: -0.001
local terms energy: -23.424523
where:
bonds (distance) C4'-P energy: -4.735
bonds (distance) P-C4' energy: -4.349
flat angles C4'-P-C4' energy: -4.847
flat angles P-C4'-P energy: -4.183
tors. eta vs tors. theta energy: -5.310
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: 9
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -38.780954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.780954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.780954 (E_RNA)
where:
Base-Base interactions energy: -17.389
where: short stacking energy: -7.978
Base-Backbone interact. energy: -0.003
local terms energy: -21.389340
where:
bonds (distance) C4'-P energy: -5.128
bonds (distance) P-C4' energy: -4.275
flat angles C4'-P-C4' energy: -5.696
flat angles P-C4'-P energy: -3.994
tors. eta vs tors. theta energy: -2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -40.682499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.682499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.682499 (E_RNA)
where:
Base-Base interactions energy: -16.623
where: short stacking energy: -16.623
Base-Backbone interact. energy: -0.001
local terms energy: -24.058591
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.230
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -2.414
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: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -36.981582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.981582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.981582 (E_RNA)
where:
Base-Base interactions energy: -18.010
where: short stacking energy: -15.338
Base-Backbone interact. energy: -0.003
local terms energy: -18.968893
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -2.560
flat angles C4'-P-C4' energy: -4.969
flat angles P-C4'-P energy: -1.642
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -32.711734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.711734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.711734 (E_RNA)
where:
Base-Base interactions energy: -11.806
where: short stacking energy: -11.806
Base-Backbone interact. energy: -0.000
local terms energy: -20.905677
where:
bonds (distance) C4'-P energy: -4.719
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -5.013
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -35.357521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.357521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.357521 (E_RNA)
where:
Base-Base interactions energy: -13.864
where: short stacking energy: -13.864
Base-Backbone interact. energy: -0.091
local terms energy: -21.402327
where:
bonds (distance) C4'-P energy: -4.992
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.815
flat angles P-C4'-P energy: -1.921
tors. eta vs tors. theta energy: -2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -49.912704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.912704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.912704 (E_RNA)
where:
Base-Base interactions energy: -22.841
where: short stacking energy: -22.841
Base-Backbone interact. energy: -0.000
local terms energy: -27.071341
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.425
flat angles P-C4'-P energy: -3.490
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: 2, replica: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -41.104896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.104896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.104896 (E_RNA)
where:
Base-Base interactions energy: -17.122
where: short stacking energy: -17.122
Base-Backbone interact. energy: -0.010
local terms energy: -23.972856
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.460
flat angles C4'-P-C4' energy: -4.278
flat angles P-C4'-P energy: -4.609
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: 3, replica: 1
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -41.667920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.667920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.667920 (E_RNA)
where:
Base-Base interactions energy: -15.565
where: short stacking energy: -15.665
Base-Backbone interact. energy: -1.146
local terms energy: -24.956721
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -5.991
flat angles P-C4'-P energy: -4.080
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -38.554451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.554451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.554451 (E_RNA)
where:
Base-Base interactions energy: -15.693
where: short stacking energy: -15.693
Base-Backbone interact. energy: -0.000
local terms energy: -22.861424
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -3.916
flat angles C4'-P-C4' energy: -4.757
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: -3.091
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: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -37.636326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.636326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.636326 (E_RNA)
where:
Base-Base interactions energy: -13.303
where: short stacking energy: -13.303
Base-Backbone interact. energy: -0.000
local terms energy: -24.333462
where:
bonds (distance) C4'-P energy: -4.346
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -6.115
flat angles P-C4'-P energy: -3.531
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -40.155138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.155138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.155138 (E_RNA)
where:
Base-Base interactions energy: -14.621
where: short stacking energy: -14.621
Base-Backbone interact. energy: -0.000
local terms energy: -25.534192
where:
bonds (distance) C4'-P energy: -5.100
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -4.480
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: -5.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -39.093468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.093468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.093468 (E_RNA)
where:
Base-Base interactions energy: -12.965
where: short stacking energy: -12.965
Base-Backbone interact. energy: -0.000
local terms energy: -26.128417
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -6.230
flat angles P-C4'-P energy: -4.197
tors. eta vs tors. theta energy: -3.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -39.847315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.847315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.847315 (E_RNA)
where:
Base-Base interactions energy: -13.121
where: short stacking energy: -13.121
Base-Backbone interact. energy: -0.000
local terms energy: -26.726595
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -3.885
flat angles P-C4'-P energy: -4.360
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -39.611267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.611267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.611267 (E_RNA)
where:
Base-Base interactions energy: -23.484
where: short stacking energy: -9.225
Base-Backbone interact. energy: -0.013
local terms energy: -16.114193
where:
bonds (distance) C4'-P energy: -4.624
bonds (distance) P-C4' energy: -5.945
flat angles C4'-P-C4' energy: -5.493
flat angles P-C4'-P energy: 1.058
tors. eta vs tors. theta energy: -1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -33.313390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.313390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.313390 (E_RNA)
where:
Base-Base interactions energy: -14.751
where: short stacking energy: -14.751
Base-Backbone interact. energy: -0.009
local terms energy: -18.553398
where:
bonds (distance) C4'-P energy: -3.484
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -3.206
flat angles P-C4'-P energy: -3.660
tors. eta vs tors. theta energy: -1.303
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: 1, replica: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -48.225484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.225484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.225484 (E_RNA)
where:
Base-Base interactions energy: -20.391
where: short stacking energy: -20.391
Base-Backbone interact. energy: -0.000
local terms energy: -27.834317
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -6.643
flat angles P-C4'-P energy: -4.052
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -44.706237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.706237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.706237 (E_RNA)
where:
Base-Base interactions energy: -19.977
where: short stacking energy: -17.212
Base-Backbone interact. energy: -0.000
local terms energy: -24.728826
where:
bonds (distance) C4'-P energy: -4.980
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.832
flat angles P-C4'-P energy: -3.370
tors. eta vs tors. theta energy: -4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -43.689372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.689372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.689372 (E_RNA)
where:
Base-Base interactions energy: -22.737
where: short stacking energy: -17.394
Base-Backbone interact. energy: -0.871
local terms energy: -20.081107
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -4.755
flat angles C4'-P-C4' energy: -4.277
flat angles P-C4'-P energy: -3.105
tors. eta vs tors. theta energy: -2.417
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: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -50.810390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.810390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.810390 (E_RNA)
where:
Base-Base interactions energy: -22.384
where: short stacking energy: -22.384
Base-Backbone interact. energy: -0.000
local terms energy: -28.426188
where:
bonds (distance) C4'-P energy: -5.099
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.452
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -7.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -38.635820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.635820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.635820 (E_RNA)
where:
Base-Base interactions energy: -16.864
where: short stacking energy: -16.864
Base-Backbone interact. energy: -0.003
local terms energy: -21.769004
where:
bonds (distance) C4'-P energy: -4.631
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -3.069
flat angles P-C4'-P energy: -3.840
tors. eta vs tors. theta energy: -3.791
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: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -35.790059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.790059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.790059 (E_RNA)
where:
Base-Base interactions energy: -11.001
where: short stacking energy: -11.001
Base-Backbone interact. energy: -0.002
local terms energy: -24.787226
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.910
flat angles P-C4'-P energy: -3.730
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: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -48.535989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.535989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.535989 (E_RNA)
where:
Base-Base interactions energy: -26.305
where: short stacking energy: -13.645
Base-Backbone interact. energy: 0.738
local terms energy: -22.969522
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -4.963
flat angles P-C4'-P energy: -3.398
tors. eta vs tors. theta energy: -1.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -32.736705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.736705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.736705 (E_RNA)
where:
Base-Base interactions energy: -13.984
where: short stacking energy: -10.240
Base-Backbone interact. energy: -0.001
local terms energy: -18.751932
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -3.962
flat angles C4'-P-C4' energy: -4.380
flat angles P-C4'-P energy: -3.445
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: 9, replica: 3
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -33.009985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.009985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.009985 (E_RNA)
where:
Base-Base interactions energy: -13.897
where: short stacking energy: -13.897
Base-Backbone interact. energy: -0.022
local terms energy: -19.090897
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -1.473
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -36.724406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.724406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.724406 (E_RNA)
where:
Base-Base interactions energy: -13.628
where: short stacking energy: -13.628
Base-Backbone interact. energy: -0.000
local terms energy: -23.096648
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -5.276
flat angles C4'-P-C4' energy: -4.251
flat angles P-C4'-P energy: -4.367
tors. eta vs tors. theta energy: -3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -49.498051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.498051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.498051 (E_RNA)
where:
Base-Base interactions energy: -21.362
where: short stacking energy: -21.362
Base-Backbone interact. energy: -0.000
local terms energy: -28.135815
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.734
flat angles C4'-P-C4' energy: -5.838
flat angles P-C4'-P energy: -4.976
tors. eta vs tors. theta energy: -5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -38.794124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.794124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.794124 (E_RNA)
where:
Base-Base interactions energy: -15.249
where: short stacking energy: -15.249
Base-Backbone interact. energy: -0.004
local terms energy: -23.541389
where:
bonds (distance) C4'-P energy: -5.285
bonds (distance) P-C4' energy: -6.364
flat angles C4'-P-C4' energy: -5.955
flat angles P-C4'-P energy: -2.258
tors. eta vs tors. theta energy: -3.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -43.312744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.312744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.312744 (E_RNA)
where:
Base-Base interactions energy: -19.198
where: short stacking energy: -19.198
Base-Backbone interact. energy: -0.000
local terms energy: -24.114464
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.177
flat angles C4'-P-C4' energy: -6.222
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -1.395
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: 4, replica: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -52.167808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.167808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.167808 (E_RNA)
where:
Base-Base interactions energy: -25.684
where: short stacking energy: -20.086
Base-Backbone interact. energy: -0.003
local terms energy: -26.481206
where:
bonds (distance) C4'-P energy: -5.401
bonds (distance) P-C4' energy: -5.755
flat angles C4'-P-C4' energy: -5.311
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -43.879672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.879672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.879672 (E_RNA)
where:
Base-Base interactions energy: -19.233
where: short stacking energy: -19.233
Base-Backbone interact. energy: -0.000
local terms energy: -24.646806
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -4.003
flat angles C4'-P-C4' energy: -5.675
flat angles P-C4'-P energy: -2.551
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: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -37.886918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.886918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.886918 (E_RNA)
where:
Base-Base interactions energy: -14.683
where: short stacking energy: -14.683
Base-Backbone interact. energy: -0.000
local terms energy: -23.203463
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -5.767
flat angles C4'-P-C4' energy: -5.713
flat angles P-C4'-P energy: -3.075
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -37.028086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.028086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.028086 (E_RNA)
where:
Base-Base interactions energy: -13.088
where: short stacking energy: -13.088
Base-Backbone interact. energy: -0.000
local terms energy: -23.939747
where:
bonds (distance) C4'-P energy: -3.527
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.489
flat angles P-C4'-P energy: -4.390
tors. eta vs tors. theta energy: -2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -40.785257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.785257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.785257 (E_RNA)
where:
Base-Base interactions energy: -16.408
where: short stacking energy: -16.408
Base-Backbone interact. energy: -0.000
local terms energy: -24.376859
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -4.818
flat angles C4'-P-C4' energy: -6.258
flat angles P-C4'-P energy: -3.508
tors. eta vs tors. theta energy: -4.710
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: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -35.513041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.513041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.513041 (E_RNA)
where:
Base-Base interactions energy: -12.489
where: short stacking energy: -10.902
Base-Backbone interact. energy: -1.054
local terms energy: -21.969845
where:
bonds (distance) C4'-P energy: -3.912
bonds (distance) P-C4' energy: -4.865
flat angles C4'-P-C4' energy: -6.063
flat angles P-C4'-P energy: -4.460
tors. eta vs tors. theta energy: -2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -34.401483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.401483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.401483 (E_RNA)
where:
Base-Base interactions energy: -11.835
where: short stacking energy: -11.835
Base-Backbone interact. energy: -0.000
local terms energy: -22.566545
where:
bonds (distance) C4'-P energy: -4.624
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.154
flat angles P-C4'-P energy: -1.367
tors. eta vs tors. theta energy: -5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -49.556891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.556891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.556891 (E_RNA)
where:
Base-Base interactions energy: -25.269
where: short stacking energy: -25.269
Base-Backbone interact. energy: -0.000
local terms energy: -24.287574
where:
bonds (distance) C4'-P energy: -5.211
bonds (distance) P-C4' energy: -4.155
flat angles C4'-P-C4' energy: -5.817
flat angles P-C4'-P energy: -3.262
tors. eta vs tors. theta energy: -5.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -53.503456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.503456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.503456 (E_RNA)
where:
Base-Base interactions energy: -21.855
where: short stacking energy: -21.855
Base-Backbone interact. energy: -0.000
local terms energy: -31.648398
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -6.303
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: -7.482
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: 6
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -47.825913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.825913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.825913 (E_RNA)
where:
Base-Base interactions energy: -20.221
where: short stacking energy: -20.221
Base-Backbone interact. energy: -0.020
local terms energy: -27.585200
where:
bonds (distance) C4'-P energy: -6.106
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.117
flat angles P-C4'-P energy: -3.988
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: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -43.776682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.776682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.776682 (E_RNA)
where:
Base-Base interactions energy: -19.102
where: short stacking energy: -19.102
Base-Backbone interact. energy: -0.000
local terms energy: -24.674251
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.628
flat angles P-C4'-P energy: -1.385
tors. eta vs tors. theta energy: -5.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -41.814236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.814236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.814236 (E_RNA)
where:
Base-Base interactions energy: -18.942
where: short stacking energy: -15.436
Base-Backbone interact. energy: -0.102
local terms energy: -22.769833
where:
bonds (distance) C4'-P energy: -4.081
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.742
flat angles P-C4'-P energy: -3.411
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -32.592579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.592579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.592579 (E_RNA)
where:
Base-Base interactions energy: -12.541
where: short stacking energy: -12.541
Base-Backbone interact. energy: -0.145
local terms energy: -19.906221
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -5.833
flat angles C4'-P-C4' energy: -4.727
flat angles P-C4'-P energy: -4.710
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: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -37.018971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.018971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.018971 (E_RNA)
where:
Base-Base interactions energy: -16.818
where: short stacking energy: -16.818
Base-Backbone interact. energy: -0.004
local terms energy: -20.197370
where:
bonds (distance) C4'-P energy: -2.499
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -3.862
flat angles P-C4'-P energy: -3.803
tors. eta vs tors. theta energy: -3.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -31.064481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.064481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.064481 (E_RNA)
where:
Base-Base interactions energy: -8.017
where: short stacking energy: -8.017
Base-Backbone interact. energy: -0.025
local terms energy: -23.022488
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.497
flat angles P-C4'-P energy: -3.568
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: 9, replica: 5
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -36.316027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.316027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.316027 (E_RNA)
where:
Base-Base interactions energy: -14.338
where: short stacking energy: -14.338
Base-Backbone interact. energy: -0.000
local terms energy: -21.977745
where:
bonds (distance) C4'-P energy: -3.794
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -4.970
flat angles P-C4'-P energy: -3.548
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -32.639375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.639375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.639375 (E_RNA)
where:
Base-Base interactions energy: -16.335
where: short stacking energy: -13.693
Base-Backbone interact. energy: -0.010
local terms energy: -16.294439
where:
bonds (distance) C4'-P energy: -3.361
bonds (distance) P-C4' energy: -4.523
flat angles C4'-P-C4' energy: -5.308
flat angles P-C4'-P energy: -2.487
tors. eta vs tors. theta energy: -0.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -53.245843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.245843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.245843 (E_RNA)
where:
Base-Base interactions energy: -26.133
where: short stacking energy: -26.133
Base-Backbone interact. energy: -0.000
local terms energy: -27.112720
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -6.096
flat angles P-C4'-P energy: -3.247
tors. eta vs tors. theta energy: -6.179
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: 2, replica: 6
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -49.901874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.901874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.901874 (E_RNA)
where:
Base-Base interactions energy: -23.904
where: short stacking energy: -23.904
Base-Backbone interact. energy: -0.000
local terms energy: -25.997920
where:
bonds (distance) C4'-P energy: -4.851
bonds (distance) P-C4' energy: -6.361
flat angles C4'-P-C4' energy: -4.883
flat angles P-C4'-P energy: -2.792
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: 3, replica: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -52.348824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.348824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.348824 (E_RNA)
where:
Base-Base interactions energy: -23.130
where: short stacking energy: -17.797
Base-Backbone interact. energy: -1.053
local terms energy: -28.166053
where:
bonds (distance) C4'-P energy: -4.259
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -6.432
flat angles P-C4'-P energy: -5.308
tors. eta vs tors. theta energy: -5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -44.962331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.962331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.962331 (E_RNA)
where:
Base-Base interactions energy: -28.464
where: short stacking energy: -13.570
Base-Backbone interact. energy: -0.150
local terms energy: -16.348585
where:
bonds (distance) C4'-P energy: -6.462
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -1.950
flat angles P-C4'-P energy: -0.179
tors. eta vs tors. theta energy: -1.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -38.502238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.502238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.502238 (E_RNA)
where:
Base-Base interactions energy: -16.295
where: short stacking energy: -16.295
Base-Backbone interact. energy: -0.009
local terms energy: -22.198399
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -5.127
flat angles P-C4'-P energy: -3.456
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -42.292467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.292467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.292467 (E_RNA)
where:
Base-Base interactions energy: -18.616
where: short stacking energy: -18.346
Base-Backbone interact. energy: -0.004
local terms energy: -23.672733
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -4.917
flat angles C4'-P-C4' energy: -5.958
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -32.815480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.815480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.815480 (E_RNA)
where:
Base-Base interactions energy: -12.038
where: short stacking energy: -12.038
Base-Backbone interact. energy: -0.152
local terms energy: -20.625029
where:
bonds (distance) C4'-P energy: -6.362
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -3.872
flat angles P-C4'-P energy: -1.995
tors. eta vs tors. theta energy: -2.414
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: 341
Temperature: 1.250000
Total energy: -37.233866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.233866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.233866 (E_RNA)
where:
Base-Base interactions energy: -16.442
where: short stacking energy: -15.283
Base-Backbone interact. energy: -0.001
local terms energy: -20.791036
where:
bonds (distance) C4'-P energy: -4.044
bonds (distance) P-C4' energy: -4.895
flat angles C4'-P-C4' energy: -4.455
flat angles P-C4'-P energy: -3.624
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: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -40.984031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.984031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.984031 (E_RNA)
where:
Base-Base interactions energy: -16.536
where: short stacking energy: -16.536
Base-Backbone interact. energy: -0.002
local terms energy: -24.446713
where:
bonds (distance) C4'-P energy: -5.650
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -3.808
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -4.412
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: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -32.529476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.529476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.529476 (E_RNA)
where:
Base-Base interactions energy: -11.115
where: short stacking energy: -11.115
Base-Backbone interact. energy: -0.000
local terms energy: -21.414581
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -4.402
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: -0.751
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: 7
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -50.081945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.081945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.081945 (E_RNA)
where:
Base-Base interactions energy: -22.018
where: short stacking energy: -22.018
Base-Backbone interact. energy: -0.000
local terms energy: -28.064397
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.938
flat angles P-C4'-P energy: -4.542
tors. eta vs tors. theta energy: -5.430
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: 6
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -48.787698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.787698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.787698 (E_RNA)
where:
Base-Base interactions energy: -23.019
where: short stacking energy: -23.019
Base-Backbone interact. energy: -0.000
local terms energy: -25.768772
where:
bonds (distance) C4'-P energy: -4.624
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -3.822
flat angles P-C4'-P energy: -4.401
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: 3, replica: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -42.091869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.091869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.091869 (E_RNA)
where:
Base-Base interactions energy: -17.760
where: short stacking energy: -17.760
Base-Backbone interact. energy: -0.000
local terms energy: -24.331823
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.109
flat angles P-C4'-P energy: -1.249
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: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -39.800522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.800522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.800522 (E_RNA)
where:
Base-Base interactions energy: -14.470
where: short stacking energy: -14.470
Base-Backbone interact. energy: -0.000
local terms energy: -25.330715
where:
bonds (distance) C4'-P energy: -4.753
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -5.398
flat angles P-C4'-P energy: -3.479
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -38.625845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.625845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.625845 (E_RNA)
where:
Base-Base interactions energy: -14.842
where: short stacking energy: -7.753
Base-Backbone interact. energy: -0.008
local terms energy: -23.776019
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -6.463
flat angles P-C4'-P energy: -3.586
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -47.187666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.187666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.187666 (E_RNA)
where:
Base-Base interactions energy: -20.340
where: short stacking energy: -20.340
Base-Backbone interact. energy: -0.000
local terms energy: -26.847583
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -4.719
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: -6.394
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: 7, replica: 5
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -37.580929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.580929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.580929 (E_RNA)
where:
Base-Base interactions energy: -14.196
where: short stacking energy: -11.022
Base-Backbone interact. energy: -0.000
local terms energy: -23.384573
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.412
flat angles P-C4'-P energy: -2.473
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: 8, replica: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -40.594091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.594091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.594091 (E_RNA)
where:
Base-Base interactions energy: -17.814
where: short stacking energy: -17.814
Base-Backbone interact. energy: -0.000
local terms energy: -22.780244
where:
bonds (distance) C4'-P energy: -4.194
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -6.049
flat angles P-C4'-P energy: 0.053
tors. eta vs tors. theta energy: -5.719
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: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -40.623432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.623432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.623432 (E_RNA)
where:
Base-Base interactions energy: -17.779
where: short stacking energy: -17.779
Base-Backbone interact. energy: -0.001
local terms energy: -22.843764
where:
bonds (distance) C4'-P energy: -2.848
bonds (distance) P-C4' energy: -6.156
flat angles C4'-P-C4' energy: -4.180
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -4.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -29.915526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.915526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.915526 (E_RNA)
where:
Base-Base interactions energy: -6.792
where: short stacking energy: -6.792
Base-Backbone interact. energy: -0.115
local terms energy: -23.007791
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -5.542
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -45.095031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.095031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.095031 (E_RNA)
where:
Base-Base interactions energy: -19.477
where: short stacking energy: -19.477
Base-Backbone interact. energy: -0.081
local terms energy: -25.536340
where:
bonds (distance) C4'-P energy: -5.112
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -6.395
flat angles P-C4'-P energy: -2.927
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: 2, replica: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -48.740443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.740443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.740443 (E_RNA)
where:
Base-Base interactions energy: -21.737
where: short stacking energy: -21.737
Base-Backbone interact. energy: -0.000
local terms energy: -27.003501
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.354
flat angles P-C4'-P energy: -2.300
tors. eta vs tors. theta energy: -6.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -35.081911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.081911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.081911 (E_RNA)
where:
Base-Base interactions energy: -14.260
where: short stacking energy: -10.310
Base-Backbone interact. energy: -0.035
local terms energy: -20.786494
where:
bonds (distance) C4'-P energy: -4.657
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -3.782
flat angles P-C4'-P energy: -4.723
tors. eta vs tors. theta energy: -1.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -41.488744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.488744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.488744 (E_RNA)
where:
Base-Base interactions energy: -17.383
where: short stacking energy: -17.383
Base-Backbone interact. energy: -0.080
local terms energy: -24.026318
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.469
flat angles C4'-P-C4' energy: -5.490
flat angles P-C4'-P energy: -4.491
tors. eta vs tors. theta energy: -2.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -36.135530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.135530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.135530 (E_RNA)
where:
Base-Base interactions energy: -12.265
where: short stacking energy: -12.265
Base-Backbone interact. energy: -0.004
local terms energy: -23.867091
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -5.991
flat angles C4'-P-C4' energy: -6.568
flat angles P-C4'-P energy: -3.836
tors. eta vs tors. theta energy: -2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -39.731893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.731893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.731893 (E_RNA)
where:
Base-Base interactions energy: -20.621
where: short stacking energy: -15.702
Base-Backbone interact. energy: -0.106
local terms energy: -19.004760
where:
bonds (distance) C4'-P energy: -4.540
bonds (distance) P-C4' energy: -5.276
flat angles C4'-P-C4' energy: -5.746
flat angles P-C4'-P energy: -3.014
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: 7, replica: 3
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -36.400098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.400098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.400098 (E_RNA)
where:
Base-Base interactions energy: -16.664
where: short stacking energy: -12.787
Base-Backbone interact. energy: -0.004
local terms energy: -19.732173
where:
bonds (distance) C4'-P energy: -3.854
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.875
flat angles P-C4'-P energy: -1.318
tors. eta vs tors. theta energy: -1.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -42.137287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.137287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.137287 (E_RNA)
where:
Base-Base interactions energy: -17.222
where: short stacking energy: -17.222
Base-Backbone interact. energy: -0.000
local terms energy: -24.915017
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -5.952
flat angles P-C4'-P energy: -3.979
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -38.261490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.261490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.261490 (E_RNA)
where:
Base-Base interactions energy: -17.610
where: short stacking energy: -13.908
Base-Backbone interact. energy: -0.000
local terms energy: -20.651035
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -5.371
flat angles C4'-P-C4' energy: -5.336
flat angles P-C4'-P energy: -0.440
tors. eta vs tors. theta energy: -4.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -37.202590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.202590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.202590 (E_RNA)
where:
Base-Base interactions energy: -18.437
where: short stacking energy: -13.132
Base-Backbone interact. energy: -0.083
local terms energy: -18.682305
where:
bonds (distance) C4'-P energy: -1.675
bonds (distance) P-C4' energy: -5.273
flat angles C4'-P-C4' energy: -5.937
flat angles P-C4'-P energy: -4.567
tors. eta vs tors. theta energy: -1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -52.602565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.602565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.602565 (E_RNA)
where:
Base-Base interactions energy: -22.229
where: short stacking energy: -22.229
Base-Backbone interact. energy: -0.000
local terms energy: -30.373883
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.355
flat angles C4'-P-C4' energy: -6.132
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -43.763547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.763547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.763547 (E_RNA)
where:
Base-Base interactions energy: -17.273
where: short stacking energy: -17.273
Base-Backbone interact. energy: -0.000
local terms energy: -26.490105
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.852
flat angles P-C4'-P energy: -3.994
tors. eta vs tors. theta energy: -3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -46.429479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.429479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.429479 (E_RNA)
where:
Base-Base interactions energy: -21.963
where: short stacking energy: -21.963
Base-Backbone interact. energy: -0.000
local terms energy: -24.466411
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -3.093
flat angles P-C4'-P energy: -2.586
tors. eta vs tors. theta energy: -6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -33.988832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.988832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.988832 (E_RNA)
where:
Base-Base interactions energy: -12.867
where: short stacking energy: -12.867
Base-Backbone interact. energy: -0.000
local terms energy: -21.121491
where:
bonds (distance) C4'-P energy: -5.112
bonds (distance) P-C4' energy: -4.818
flat angles C4'-P-C4' energy: -4.644
flat angles P-C4'-P energy: -2.979
tors. eta vs tors. theta energy: -3.568
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: 5
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -47.224592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.224592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.224592 (E_RNA)
where:
Base-Base interactions energy: -19.157
where: short stacking energy: -19.157
Base-Backbone interact. energy: -0.000
local terms energy: -28.066962
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -6.187
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -34.603449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.603449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.603449 (E_RNA)
where:
Base-Base interactions energy: -16.058
where: short stacking energy: -14.605
Base-Backbone interact. energy: -0.000
local terms energy: -18.545480
where:
bonds (distance) C4'-P energy: -3.866
bonds (distance) P-C4' energy: -3.512
flat angles C4'-P-C4' energy: -5.908
flat angles P-C4'-P energy: -3.002
tors. eta vs tors. theta energy: -2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -34.664715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.664715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.664715 (E_RNA)
where:
Base-Base interactions energy: -15.182
where: short stacking energy: -15.182
Base-Backbone interact. energy: -0.002
local terms energy: -19.480759
where:
bonds (distance) C4'-P energy: -4.785
bonds (distance) P-C4' energy: -3.156
flat angles C4'-P-C4' energy: -5.277
flat angles P-C4'-P energy: -3.955
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: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -38.005877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.005877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.005877 (E_RNA)
where:
Base-Base interactions energy: -16.927
where: short stacking energy: -8.162
Base-Backbone interact. energy: 0.021
local terms energy: -21.099732
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -4.842
flat angles P-C4'-P energy: -2.014
tors. eta vs tors. theta energy: -2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -34.402616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.402616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.402616 (E_RNA)
where:
Base-Base interactions energy: -14.149
where: short stacking energy: -14.149
Base-Backbone interact. energy: -0.052
local terms energy: -20.201018
where:
bonds (distance) C4'-P energy: -3.261
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -2.965
flat angles P-C4'-P energy: -4.485
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -38.956473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.956473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.956473 (E_RNA)
where:
Base-Base interactions energy: -13.672
where: short stacking energy: -13.672
Base-Backbone interact. energy: -0.000
local terms energy: -25.284508
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -4.976
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -5.074
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: 345
Temperature: 0.900000
Total energy: -56.217415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.217415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.217415 (E_RNA)
where:
Base-Base interactions energy: -26.802
where: short stacking energy: -26.802
Base-Backbone interact. energy: -0.000
local terms energy: -29.415704
where:
bonds (distance) C4'-P energy: -5.207
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -5.517
flat angles P-C4'-P energy: -4.486
tors. eta vs tors. theta energy: -7.296
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: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -47.695748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.695748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.695748 (E_RNA)
where:
Base-Base interactions energy: -21.152
where: short stacking energy: -21.152
Base-Backbone interact. energy: -0.005
local terms energy: -26.539247
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -6.287
flat angles P-C4'-P energy: -4.702
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -39.673719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.673719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.673719 (E_RNA)
where:
Base-Base interactions energy: -13.318
where: short stacking energy: -13.318
Base-Backbone interact. energy: -0.000
local terms energy: -26.356153
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -4.874
flat angles C4'-P-C4' energy: -5.925
flat angles P-C4'-P energy: -4.640
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: 4, replica: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -44.004089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.004089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.004089 (E_RNA)
where:
Base-Base interactions energy: -15.838
where: short stacking energy: -15.838
Base-Backbone interact. energy: -0.000
local terms energy: -28.166246
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -6.494
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -6.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -39.146047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.146047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.146047 (E_RNA)
where:
Base-Base interactions energy: -16.516
where: short stacking energy: -16.516
Base-Backbone interact. energy: -0.002
local terms energy: -22.628177
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -4.835
flat angles C4'-P-C4' energy: -6.480
flat angles P-C4'-P energy: -3.311
tors. eta vs tors. theta energy: -2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -43.768813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.768813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.768813 (E_RNA)
where:
Base-Base interactions energy: -18.276
where: short stacking energy: -18.276
Base-Backbone interact. energy: -0.000
local terms energy: -25.493169
where:
bonds (distance) C4'-P energy: -5.427
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -3.255
flat angles P-C4'-P energy: -4.808
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: 7, replica: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -32.452922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.452922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.452922 (E_RNA)
where:
Base-Base interactions energy: -10.130
where: short stacking energy: -11.730
Base-Backbone interact. energy: -0.013
local terms energy: -22.309313
where:
bonds (distance) C4'-P energy: -4.859
bonds (distance) P-C4' energy: -6.365
flat angles C4'-P-C4' energy: -6.819
flat angles P-C4'-P energy: -2.766
tors. eta vs tors. theta energy: -1.500
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: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -35.581423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.581423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.581423 (E_RNA)
where:
Base-Base interactions energy: -13.302
where: short stacking energy: -12.565
Base-Backbone interact. energy: -0.001
local terms energy: -22.278272
where:
bonds (distance) C4'-P energy: -4.011
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -5.438
flat angles P-C4'-P energy: -2.429
tors. eta vs tors. theta energy: -4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -28.438699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.438699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.438699 (E_RNA)
where:
Base-Base interactions energy: -7.852
where: short stacking energy: -7.123
Base-Backbone interact. energy: -0.036
local terms energy: -20.550561
where:
bonds (distance) C4'-P energy: -6.023
bonds (distance) P-C4' energy: -5.509
flat angles C4'-P-C4' energy: -3.273
flat angles P-C4'-P energy: -3.991
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -35.904498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.904498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.904498 (E_RNA)
where:
Base-Base interactions energy: -14.248
where: short stacking energy: -14.018
Base-Backbone interact. energy: -0.000
local terms energy: -21.656278
where:
bonds (distance) C4'-P energy: -3.804
bonds (distance) P-C4' energy: -5.748
flat angles C4'-P-C4' energy: -5.797
flat angles P-C4'-P energy: -3.660
tors. eta vs tors. theta energy: -2.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -47.610070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.610070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.610070 (E_RNA)
where:
Base-Base interactions energy: -20.822
where: short stacking energy: -20.822
Base-Backbone interact. energy: -0.000
local terms energy: -26.788267
where:
bonds (distance) C4'-P energy: -5.179
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -5.695
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -5.194
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: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -54.239445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.239445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.239445 (E_RNA)
where:
Base-Base interactions energy: -26.222
where: short stacking energy: -26.222
Base-Backbone interact. energy: -0.000
local terms energy: -28.017404
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -4.921
flat angles P-C4'-P energy: -3.767
tors. eta vs tors. theta energy: -7.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -37.303901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.303901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.303901 (E_RNA)
where:
Base-Base interactions energy: -13.725
where: short stacking energy: -13.725
Base-Backbone interact. energy: -0.000
local terms energy: -23.578801
where:
bonds (distance) C4'-P energy: -5.104
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -6.269
flat angles P-C4'-P energy: -2.837
tors. eta vs tors. theta energy: -2.754
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: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -42.307861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.307861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.307861 (E_RNA)
where:
Base-Base interactions energy: -15.875
where: short stacking energy: -15.875
Base-Backbone interact. energy: -0.001
local terms energy: -26.432812
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.319
flat angles P-C4'-P energy: -4.433
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: 5, replica: 2
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -43.184029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.184029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.184029 (E_RNA)
where:
Base-Base interactions energy: -17.534
where: short stacking energy: -17.534
Base-Backbone interact. energy: -0.001
local terms energy: -25.649884
where:
bonds (distance) C4'-P energy: -5.207
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -5.142
flat angles P-C4'-P energy: -5.236
tors. eta vs tors. theta energy: -4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -37.809764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.809764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.809764 (E_RNA)
where:
Base-Base interactions energy: -16.780
where: short stacking energy: -14.722
Base-Backbone interact. energy: -0.018
local terms energy: -21.012168
where:
bonds (distance) C4'-P energy: -4.098
bonds (distance) P-C4' energy: -4.939
flat angles C4'-P-C4' energy: -4.879
flat angles P-C4'-P energy: -2.351
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: 7, replica: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -40.430809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.430809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.430809 (E_RNA)
where:
Base-Base interactions energy: -18.659
where: short stacking energy: -18.612
Base-Backbone interact. energy: -0.000
local terms energy: -21.771855
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -3.515
flat angles C4'-P-C4' energy: -3.696
flat angles P-C4'-P energy: -1.258
tors. eta vs tors. theta energy: -7.366
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: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -33.030871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.030871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.030871 (E_RNA)
where:
Base-Base interactions energy: -10.197
where: short stacking energy: -10.197
Base-Backbone interact. energy: -0.000
local terms energy: -22.834258
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.358
flat angles C4'-P-C4' energy: -4.790
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: -1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -34.283328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.283328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.283328 (E_RNA)
where:
Base-Base interactions energy: -15.770
where: short stacking energy: -10.653
Base-Backbone interact. energy: 1.273
local terms energy: -19.785787
where:
bonds (distance) C4'-P energy: -3.697
bonds (distance) P-C4' energy: -5.516
flat angles C4'-P-C4' energy: -3.984
flat angles P-C4'-P energy: -3.286
tors. eta vs tors. theta energy: -3.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -32.447251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.447251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.447251 (E_RNA)
where:
Base-Base interactions energy: -12.105
where: short stacking energy: -12.105
Base-Backbone interact. energy: -0.006
local terms energy: -20.336777
where:
bonds (distance) C4'-P energy: -5.306
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -3.092
flat angles P-C4'-P energy: -2.367
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -55.268037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.268037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.268037 (E_RNA)
where:
Base-Base interactions energy: -26.068
where: short stacking energy: -26.068
Base-Backbone interact. energy: -0.000
local terms energy: -29.200097
where:
bonds (distance) C4'-P energy: -4.913
bonds (distance) P-C4' energy: -5.438
flat angles C4'-P-C4' energy: -6.266
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: -7.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -54.951385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.951385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.951385 (E_RNA)
where:
Base-Base interactions energy: -25.881
where: short stacking energy: -25.881
Base-Backbone interact. energy: -0.000
local terms energy: -29.070077
where:
bonds (distance) C4'-P energy: -4.011
bonds (distance) P-C4' energy: -5.410
flat angles C4'-P-C4' energy: -6.222
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -8.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -39.545005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.545005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.545005 (E_RNA)
where:
Base-Base interactions energy: -15.750
where: short stacking energy: -15.750
Base-Backbone interact. energy: -0.005
local terms energy: -23.790069
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -5.959
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -36.834732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.834732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.834732 (E_RNA)
where:
Base-Base interactions energy: -11.836
where: short stacking energy: -11.836
Base-Backbone interact. energy: -0.000
local terms energy: -24.998137
where:
bonds (distance) C4'-P energy: -4.587
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -6.432
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: -3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -38.858487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.858487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.858487 (E_RNA)
where:
Base-Base interactions energy: -14.217
where: short stacking energy: -14.217
Base-Backbone interact. energy: -0.001
local terms energy: -24.640639
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -6.309
flat angles P-C4'-P energy: -4.853
tors. eta vs tors. theta energy: -2.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -39.362503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.362503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.362503 (E_RNA)
where:
Base-Base interactions energy: -16.882
where: short stacking energy: -16.882
Base-Backbone interact. energy: -0.001
local terms energy: -22.479881
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -4.719
flat angles P-C4'-P energy: -4.331
tors. eta vs tors. theta energy: -1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -32.460695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.460695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.460695 (E_RNA)
where:
Base-Base interactions energy: -12.000
where: short stacking energy: -12.000
Base-Backbone interact. energy: -0.000
local terms energy: -20.460904
where:
bonds (distance) C4'-P energy: -4.719
bonds (distance) P-C4' energy: -5.069
flat angles C4'-P-C4' energy: -5.463
flat angles P-C4'-P energy: -4.820
tors. eta vs tors. theta energy: -0.389
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: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -32.264749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.264749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.264749 (E_RNA)
where:
Base-Base interactions energy: -12.605
where: short stacking energy: -12.605
Base-Backbone interact. energy: -0.002
local terms energy: -19.657700
where:
bonds (distance) C4'-P energy: -4.152
bonds (distance) P-C4' energy: -6.153
flat angles C4'-P-C4' energy: -6.131
flat angles P-C4'-P energy: -1.784
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -37.379466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.379466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.379466 (E_RNA)
where:
Base-Base interactions energy: -16.493
where: short stacking energy: -5.154
Base-Backbone interact. energy: -0.022
local terms energy: -20.863981
where:
bonds (distance) C4'-P energy: -4.400
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.691
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: -0.149
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: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -41.189803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.189803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.189803 (E_RNA)
where:
Base-Base interactions energy: -18.120
where: short stacking energy: -18.120
Base-Backbone interact. energy: -0.003
local terms energy: -23.067485
where:
bonds (distance) C4'-P energy: -3.422
bonds (distance) P-C4' energy: -4.876
flat angles C4'-P-C4' energy: -5.951
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -50.792053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.792053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.792053 (E_RNA)
where:
Base-Base interactions energy: -23.975
where: short stacking energy: -23.975
Base-Backbone interact. energy: -0.002
local terms energy: -26.815187
where:
bonds (distance) C4'-P energy: -3.618
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -5.917
flat angles P-C4'-P energy: -4.565
tors. eta vs tors. theta energy: -6.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -45.782974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.782974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.782974 (E_RNA)
where:
Base-Base interactions energy: -22.015
where: short stacking energy: -22.015
Base-Backbone interact. energy: -0.000
local terms energy: -23.767980
where:
bonds (distance) C4'-P energy: -5.982
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.879
flat angles P-C4'-P energy: -1.585
tors. eta vs tors. theta energy: -4.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -45.411817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.411817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.411817 (E_RNA)
where:
Base-Base interactions energy: -22.100
where: short stacking energy: -22.100
Base-Backbone interact. energy: -0.000
local terms energy: -23.311554
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -5.767
flat angles C4'-P-C4' energy: -6.136
flat angles P-C4'-P energy: -1.553
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -42.385695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.385695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.385695 (E_RNA)
where:
Base-Base interactions energy: -17.455
where: short stacking energy: -17.455
Base-Backbone interact. energy: -0.000
local terms energy: -24.930280
where:
bonds (distance) C4'-P energy: -4.880
bonds (distance) P-C4' energy: -3.932
flat angles C4'-P-C4' energy: -6.012
flat angles P-C4'-P energy: -2.934
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -38.226908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.226908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.226908 (E_RNA)
where:
Base-Base interactions energy: -15.027
where: short stacking energy: -15.027
Base-Backbone interact. energy: -0.005
local terms energy: -23.194260
where:
bonds (distance) C4'-P energy: -6.060
bonds (distance) P-C4' energy: -6.153
flat angles C4'-P-C4' energy: -4.111
flat angles P-C4'-P energy: -2.379
tors. eta vs tors. theta energy: -4.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -42.698029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.698029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.698029 (E_RNA)
where:
Base-Base interactions energy: -17.191
where: short stacking energy: -17.191
Base-Backbone interact. energy: -0.000
local terms energy: -25.507237
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -5.537
flat angles C4'-P-C4' energy: -6.324
flat angles P-C4'-P energy: -3.170
tors. eta vs tors. theta energy: -4.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -41.390909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.390909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.390909 (E_RNA)
where:
Base-Base interactions energy: -18.084
where: short stacking energy: -18.084
Base-Backbone interact. energy: -0.002
local terms energy: -23.304248
where:
bonds (distance) C4'-P energy: -5.033
bonds (distance) P-C4' energy: -6.135
flat angles C4'-P-C4' energy: -5.255
flat angles P-C4'-P energy: -0.895
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -34.941787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.941787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.941787 (E_RNA)
where:
Base-Base interactions energy: -18.302
where: short stacking energy: -18.302
Base-Backbone interact. energy: -0.000
local terms energy: -16.639906
where:
bonds (distance) C4'-P energy: -2.686
bonds (distance) P-C4' energy: -2.579
flat angles C4'-P-C4' energy: -4.406
flat angles P-C4'-P energy: -2.461
tors. eta vs tors. theta energy: -4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -39.727115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.727115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.727115 (E_RNA)
where:
Base-Base interactions energy: -16.523
where: short stacking energy: -16.523
Base-Backbone interact. energy: -0.000
local terms energy: -23.203720
where:
bonds (distance) C4'-P energy: -4.665
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.622
flat angles P-C4'-P energy: -1.511
tors. eta vs tors. theta energy: -4.501
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: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -34.294690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.294690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.294690 (E_RNA)
where:
Base-Base interactions energy: -15.950
where: short stacking energy: -13.841
Base-Backbone interact. energy: -0.094
local terms energy: -18.251069
where:
bonds (distance) C4'-P energy: -2.963
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -6.048
flat angles P-C4'-P energy: -1.065
tors. eta vs tors. theta energy: -2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -55.048875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.048875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.048875 (E_RNA)
where:
Base-Base interactions energy: -29.396
where: short stacking energy: -18.643
Base-Backbone interact. energy: -0.394
local terms energy: -25.257908
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.886
flat angles C4'-P-C4' energy: -5.477
flat angles P-C4'-P energy: -4.161
tors. eta vs tors. theta energy: -3.906
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: 349
Temperature: 0.950000
Total energy: -49.587676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.587676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.587676 (E_RNA)
where:
Base-Base interactions energy: -29.608
where: short stacking energy: -19.180
Base-Backbone interact. energy: -0.003
local terms energy: -19.976965
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -5.671
flat angles C4'-P-C4' energy: -3.243
flat angles P-C4'-P energy: -4.140
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: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -47.985053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.985053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.985053 (E_RNA)
where:
Base-Base interactions energy: -22.180
where: short stacking energy: -22.180
Base-Backbone interact. energy: -0.000
local terms energy: -25.804908
where:
bonds (distance) C4'-P energy: -3.796
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.655
flat angles P-C4'-P energy: -2.664
tors. eta vs tors. theta energy: -7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -42.505080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.505080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.505080 (E_RNA)
where:
Base-Base interactions energy: -18.850
where: short stacking energy: -18.850
Base-Backbone interact. energy: -0.000
local terms energy: -23.655209
where:
bonds (distance) C4'-P energy: -4.214
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -3.387
flat angles P-C4'-P energy: -3.435
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: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -40.873164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.873164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.873164 (E_RNA)
where:
Base-Base interactions energy: -15.328
where: short stacking energy: -7.649
Base-Backbone interact. energy: -0.027
local terms energy: -25.519075
where:
bonds (distance) C4'-P energy: -5.688
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.764
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -42.477555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.477555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.477555 (E_RNA)
where:
Base-Base interactions energy: -16.841
where: short stacking energy: -14.667
Base-Backbone interact. energy: -0.001
local terms energy: -25.635987
where:
bonds (distance) C4'-P energy: -2.380
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.150
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -38.670325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.670325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.670325 (E_RNA)
where:
Base-Base interactions energy: -18.981
where: short stacking energy: -13.907
Base-Backbone interact. energy: -0.004
local terms energy: -19.685269
where:
bonds (distance) C4'-P energy: -3.535
bonds (distance) P-C4' energy: -4.917
flat angles C4'-P-C4' energy: -4.668
flat angles P-C4'-P energy: -3.878
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: 8, replica: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -33.845027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.845027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.845027 (E_RNA)
where:
Base-Base interactions energy: -11.853
where: short stacking energy: -11.853
Base-Backbone interact. energy: -0.097
local terms energy: -21.894584
where:
bonds (distance) C4'-P energy: -5.667
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.492
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: -0.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -36.374431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.374431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.374431 (E_RNA)
where:
Base-Base interactions energy: -14.911
where: short stacking energy: -14.911
Base-Backbone interact. energy: -0.025
local terms energy: -21.438615
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -5.970
flat angles C4'-P-C4' energy: -2.257
flat angles P-C4'-P energy: -4.119
tors. eta vs tors. theta energy: -3.095
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: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -32.986379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.986379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.986379 (E_RNA)
where:
Base-Base interactions energy: -12.344
where: short stacking energy: -10.010
Base-Backbone interact. energy: -0.543
local terms energy: -20.099786
where:
bonds (distance) C4'-P energy: -4.504
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -4.296
flat angles P-C4'-P energy: -4.290
tors. eta vs tors. theta energy: -0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -52.009755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.009755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.009755 (E_RNA)
where:
Base-Base interactions energy: -20.835
where: short stacking energy: -20.835
Base-Backbone interact. energy: -0.000
local terms energy: -31.174446
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -6.914
flat angles C4'-P-C4' energy: -5.570
flat angles P-C4'-P energy: -4.948
tors. eta vs tors. theta energy: -8.161
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: 4
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -46.337330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.337330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.337330 (E_RNA)
where:
Base-Base interactions energy: -17.118
where: short stacking energy: -17.118
Base-Backbone interact. energy: -0.000
local terms energy: -29.218970
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.129
flat angles P-C4'-P energy: -5.250
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: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -42.291895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.291895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.291895 (E_RNA)
where:
Base-Base interactions energy: -20.613
where: short stacking energy: -16.122
Base-Backbone interact. energy: -0.000
local terms energy: -21.678445
where:
bonds (distance) C4'-P energy: -4.140
bonds (distance) P-C4' energy: -5.089
flat angles C4'-P-C4' energy: -4.562
flat angles P-C4'-P energy: -3.546
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -45.870529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.870529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.870529 (E_RNA)
where:
Base-Base interactions energy: -25.854
where: short stacking energy: -13.782
Base-Backbone interact. energy: -0.005
local terms energy: -20.011593
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -4.586
flat angles P-C4'-P energy: -4.381
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: 5, replica: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -37.916504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.916504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.916504 (E_RNA)
where:
Base-Base interactions energy: -14.476
where: short stacking energy: -14.476
Base-Backbone interact. energy: -0.000
local terms energy: -23.440859
where:
bonds (distance) C4'-P energy: -6.139
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.160
flat angles P-C4'-P energy: -2.921
tors. eta vs tors. theta energy: -2.771
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: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -33.539385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.539385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.539385 (E_RNA)
where:
Base-Base interactions energy: -14.716
where: short stacking energy: -14.716
Base-Backbone interact. energy: -0.045
local terms energy: -18.778287
where:
bonds (distance) C4'-P energy: -3.833
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -3.847
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -0.375
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: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -33.282768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.282768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.282768 (E_RNA)
where:
Base-Base interactions energy: -13.216
where: short stacking energy: -13.216
Base-Backbone interact. energy: -0.111
local terms energy: -19.955312
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -3.756
flat angles P-C4'-P energy: -1.639
tors. eta vs tors. theta energy: -3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -31.099542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.099542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.099542 (E_RNA)
where:
Base-Base interactions energy: -9.581
where: short stacking energy: -9.581
Base-Backbone interact. energy: -0.041
local terms energy: -21.477362
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.606
flat angles P-C4'-P energy: -2.482
tors. eta vs tors. theta energy: -0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -37.072453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.072453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.072453 (E_RNA)
where:
Base-Base interactions energy: -12.955
where: short stacking energy: -12.955
Base-Backbone interact. energy: -0.000
local terms energy: -24.117291
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -4.901
flat angles P-C4'-P energy: -4.531
tors. eta vs tors. theta energy: -1.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -36.809138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.809138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.809138 (E_RNA)
where:
Base-Base interactions energy: -13.294
where: short stacking energy: -13.294
Base-Backbone interact. energy: -0.000
local terms energy: -23.514775
where:
bonds (distance) C4'-P energy: -3.530
bonds (distance) P-C4' energy: -5.181
flat angles C4'-P-C4' energy: -5.960
flat angles P-C4'-P energy: -4.376
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -44.806227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.806227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.806227 (E_RNA)
where:
Base-Base interactions energy: -24.982
where: short stacking energy: -12.579
Base-Backbone interact. energy: -0.002
local terms energy: -19.822210
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -4.859
flat angles P-C4'-P energy: -4.074
tors. eta vs tors. theta energy: 0.674
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: 351
Temperature: 0.950000
Total energy: -41.331755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.331755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.331755 (E_RNA)
where:
Base-Base interactions energy: -17.468
where: short stacking energy: -17.468
Base-Backbone interact. energy: -0.006
local terms energy: -23.858307
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.236
flat angles C4'-P-C4' energy: -5.105
flat angles P-C4'-P energy: -5.353
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: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -44.533743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.533743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.533743 (E_RNA)
where:
Base-Base interactions energy: -20.516
where: short stacking energy: -20.516
Base-Backbone interact. energy: -0.056
local terms energy: -23.961382
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -6.183
flat angles P-C4'-P energy: -2.629
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: 4, replica: 1
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -33.886623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.886623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.886623 (E_RNA)
where:
Base-Base interactions energy: -9.469
where: short stacking energy: -9.469
Base-Backbone interact. energy: -0.015
local terms energy: -24.402953
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -4.874
flat angles C4'-P-C4' energy: -5.740
flat angles P-C4'-P energy: -4.595
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: 5, replica: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -42.070015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.070015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.070015 (E_RNA)
where:
Base-Base interactions energy: -19.945
where: short stacking energy: -17.743
Base-Backbone interact. energy: -0.345
local terms energy: -21.780442
where:
bonds (distance) C4'-P energy: -2.951
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -4.251
flat angles P-C4'-P energy: -2.640
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -38.031300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.031300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.031300 (E_RNA)
where:
Base-Base interactions energy: -18.137
where: short stacking energy: -18.137
Base-Backbone interact. energy: -0.001
local terms energy: -19.893608
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -2.155
flat angles C4'-P-C4' energy: -5.161
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -43.143445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.143445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.143445 (E_RNA)
where:
Base-Base interactions energy: -20.018
where: short stacking energy: -20.018
Base-Backbone interact. energy: -0.000
local terms energy: -23.124898
where:
bonds (distance) C4'-P energy: -1.282
bonds (distance) P-C4' energy: -5.892
flat angles C4'-P-C4' energy: -4.967
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -5.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -40.908884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.908884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.908884 (E_RNA)
where:
Base-Base interactions energy: -17.819
where: short stacking energy: -17.819
Base-Backbone interact. energy: -0.005
local terms energy: -23.084463
where:
bonds (distance) C4'-P energy: -5.626
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -4.494
flat angles P-C4'-P energy: -4.412
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -33.594684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.594684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.594684 (E_RNA)
where:
Base-Base interactions energy: -12.011
where: short stacking energy: -11.592
Base-Backbone interact. energy: -0.041
local terms energy: -21.542217
where:
bonds (distance) C4'-P energy: -4.690
bonds (distance) P-C4' energy: -5.677
flat angles C4'-P-C4' energy: -6.285
flat angles P-C4'-P energy: -2.470
tors. eta vs tors. theta energy: -2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -36.375307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.375307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.375307 (E_RNA)
where:
Base-Base interactions energy: -20.104
where: short stacking energy: -15.372
Base-Backbone interact. energy: -0.034
local terms energy: -16.237564
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -5.330
flat angles C4'-P-C4' energy: -2.685
flat angles P-C4'-P energy: -3.621
tors. eta vs tors. theta energy: 0.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -48.257524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.257524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.257524 (E_RNA)
where:
Base-Base interactions energy: -27.663
where: short stacking energy: -12.915
Base-Backbone interact. energy: -0.069
local terms energy: -20.525135
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -4.684
flat angles P-C4'-P energy: -4.171
tors. eta vs tors. theta energy: -0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -42.250005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.250005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.250005 (E_RNA)
where:
Base-Base interactions energy: -24.099
where: short stacking energy: -14.781
Base-Backbone interact. energy: -0.003
local terms energy: -18.148634
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: 1.992
flat angles P-C4'-P energy: -4.056
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: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -52.566038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.566038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.566038 (E_RNA)
where:
Base-Base interactions energy: -29.861
where: short stacking energy: -20.902
Base-Backbone interact. energy: -1.322
local terms energy: -21.383059
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -3.794
flat angles C4'-P-C4' energy: -5.198
flat angles P-C4'-P energy: -3.331
tors. eta vs tors. theta energy: -4.280
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: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -46.094373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.094373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.094373 (E_RNA)
where:
Base-Base interactions energy: -21.050
where: short stacking energy: -21.050
Base-Backbone interact. energy: -0.000
local terms energy: -25.044078
where:
bonds (distance) C4'-P energy: -2.918
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.954
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: -4.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -35.608298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.608298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.608298 (E_RNA)
where:
Base-Base interactions energy: -14.390
where: short stacking energy: -14.390
Base-Backbone interact. energy: -0.136
local terms energy: -21.082532
where:
bonds (distance) C4'-P energy: -2.988
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.457
flat angles P-C4'-P energy: -5.132
tors. eta vs tors. theta energy: -1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -36.734380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.734380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.734380 (E_RNA)
where:
Base-Base interactions energy: -15.439
where: short stacking energy: -15.439
Base-Backbone interact. energy: -0.000
local terms energy: -21.295318
where:
bonds (distance) C4'-P energy: -3.867
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.668
flat angles P-C4'-P energy: -4.134
tors. eta vs tors. theta energy: -2.409
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: 3
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -40.287740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.287740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.287740 (E_RNA)
where:
Base-Base interactions energy: -16.493
where: short stacking energy: -16.493
Base-Backbone interact. energy: -0.000
local terms energy: -23.795101
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.835
flat angles P-C4'-P energy: -3.609
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -38.799415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.799415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.799415 (E_RNA)
where:
Base-Base interactions energy: -13.507
where: short stacking energy: -13.507
Base-Backbone interact. energy: -0.000
local terms energy: -25.292027
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -5.576
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -4.119
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: 352
Temperature: 1.300000
Total energy: -33.896875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.896875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.896875 (E_RNA)
where:
Base-Base interactions energy: -12.544
where: short stacking energy: -11.199
Base-Backbone interact. energy: -0.025
local terms energy: -21.327701
where:
bonds (distance) C4'-P energy: -2.988
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -6.627
flat angles P-C4'-P energy: -2.102
tors. eta vs tors. theta energy: -2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -28.714109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.714109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.714109 (E_RNA)
where:
Base-Base interactions energy: -9.752
where: short stacking energy: -9.752
Base-Backbone interact. energy: -0.197
local terms energy: -18.765448
where:
bonds (distance) C4'-P energy: -2.732
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.928
flat angles P-C4'-P energy: -2.396
tors. eta vs tors. theta energy: -1.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -50.324482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.324482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.324482 (E_RNA)
where:
Base-Base interactions energy: -21.731
where: short stacking energy: -21.731
Base-Backbone interact. energy: -0.000
local terms energy: -28.593405
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -4.650
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -7.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -47.345318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.345318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.345318 (E_RNA)
where:
Base-Base interactions energy: -20.145
where: short stacking energy: -20.145
Base-Backbone interact. energy: -0.070
local terms energy: -27.129764
where:
bonds (distance) C4'-P energy: -5.617
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -5.508
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -5.614
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: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -47.752348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.752348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.752348 (E_RNA)
where:
Base-Base interactions energy: -23.324
where: short stacking energy: -17.100
Base-Backbone interact. energy: -0.000
local terms energy: -24.428754
where:
bonds (distance) C4'-P energy: -3.337
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.671
flat angles P-C4'-P energy: -3.178
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -44.998432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.998432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.998432 (E_RNA)
where:
Base-Base interactions energy: -24.467
where: short stacking energy: -15.054
Base-Backbone interact. energy: -0.001
local terms energy: -20.530614
where:
bonds (distance) C4'-P energy: -4.764
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -3.655
flat angles P-C4'-P energy: -3.232
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: 5, replica: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -40.737380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.737380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.737380 (E_RNA)
where:
Base-Base interactions energy: -17.001
where: short stacking energy: -17.001
Base-Backbone interact. energy: -0.009
local terms energy: -23.726829
where:
bonds (distance) C4'-P energy: -4.275
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -5.158
flat angles P-C4'-P energy: -2.911
tors. eta vs tors. theta energy: -5.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -42.857480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.857480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.857480 (E_RNA)
where:
Base-Base interactions energy: -21.428
where: short stacking energy: -21.428
Base-Backbone interact. energy: -0.000
local terms energy: -21.429755
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -4.290
flat angles C4'-P-C4' energy: -4.219
flat angles P-C4'-P energy: -3.376
tors. eta vs tors. theta energy: -4.374
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: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -34.445930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.445930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.445930 (E_RNA)
where:
Base-Base interactions energy: -13.313
where: short stacking energy: -13.313
Base-Backbone interact. energy: -0.087
local terms energy: -21.046559
where:
bonds (distance) C4'-P energy: -3.635
bonds (distance) P-C4' energy: -4.174
flat angles C4'-P-C4' energy: -5.866
flat angles P-C4'-P energy: -2.906
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -36.561103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.561103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.561103 (E_RNA)
where:
Base-Base interactions energy: -17.025
where: short stacking energy: -17.025
Base-Backbone interact. energy: -0.040
local terms energy: -19.496118
where:
bonds (distance) C4'-P energy: -3.635
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.055
flat angles P-C4'-P energy: -3.828
tors. eta vs tors. theta energy: -0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -29.874132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.874132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.874132 (E_RNA)
where:
Base-Base interactions energy: -10.619
where: short stacking energy: -6.417
Base-Backbone interact. energy: -0.076
local terms energy: -19.179630
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -4.308
flat angles P-C4'-P energy: -2.065
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: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -36.097095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.097095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.097095 (E_RNA)
where:
Base-Base interactions energy: -15.638
where: short stacking energy: -9.946
Base-Backbone interact. energy: -0.411
local terms energy: -20.048296
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -1.502
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -50.742537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.742537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.742537 (E_RNA)
where:
Base-Base interactions energy: -21.577
where: short stacking energy: -21.577
Base-Backbone interact. energy: -0.011
local terms energy: -29.154565
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.236
flat angles P-C4'-P energy: -4.718
tors. eta vs tors. theta energy: -5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -46.249171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.249171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.249171 (E_RNA)
where:
Base-Base interactions energy: -22.635
where: short stacking energy: -22.635
Base-Backbone interact. energy: -0.000
local terms energy: -23.614174
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -3.265
flat angles C4'-P-C4' energy: -5.761
flat angles P-C4'-P energy: -3.342
tors. eta vs tors. theta energy: -5.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -49.816218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.816218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.816218 (E_RNA)
where:
Base-Base interactions energy: -21.375
where: short stacking energy: -21.375
Base-Backbone interact. energy: -0.000
local terms energy: -28.441320
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -5.936
flat angles P-C4'-P energy: -3.584
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: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -38.979655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.979655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.979655 (E_RNA)
where:
Base-Base interactions energy: -16.461
where: short stacking energy: -16.461
Base-Backbone interact. energy: 0.407
local terms energy: -22.925155
where:
bonds (distance) C4'-P energy: -5.145
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.948
flat angles P-C4'-P energy: -2.583
tors. eta vs tors. theta energy: -2.342
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: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -36.327405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.327405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.327405 (E_RNA)
where:
Base-Base interactions energy: -14.758
where: short stacking energy: -14.758
Base-Backbone interact. energy: -0.002
local terms energy: -21.567281
where:
bonds (distance) C4'-P energy: -3.659
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.522
flat angles P-C4'-P energy: -2.210
tors. eta vs tors. theta energy: -3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -39.813005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.813005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.813005 (E_RNA)
where:
Base-Base interactions energy: -15.780
where: short stacking energy: -15.780
Base-Backbone interact. energy: -0.037
local terms energy: -23.996256
where:
bonds (distance) C4'-P energy: -3.742
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -3.922
flat angles P-C4'-P energy: -4.993
tors. eta vs tors. theta energy: -5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -41.876801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.876801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.876801 (E_RNA)
where:
Base-Base interactions energy: -23.366
where: short stacking energy: -12.587
Base-Backbone interact. energy: -0.015
local terms energy: -18.496209
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -5.131
flat angles C4'-P-C4' energy: -4.613
flat angles P-C4'-P energy: -1.064
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -35.549089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.549089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.549089 (E_RNA)
where:
Base-Base interactions energy: -13.401
where: short stacking energy: -13.401
Base-Backbone interact. energy: -0.017
local terms energy: -22.131056
where:
bonds (distance) C4'-P energy: -4.206
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.676
flat angles P-C4'-P energy: -4.677
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: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -30.647608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.647608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.647608 (E_RNA)
where:
Base-Base interactions energy: -10.372
where: short stacking energy: -10.372
Base-Backbone interact. energy: -0.000
local terms energy: -20.274859
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -3.796
flat angles P-C4'-P energy: -3.805
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -30.767287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.767287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.767287 (E_RNA)
where:
Base-Base interactions energy: -9.100
where: short stacking energy: -9.100
Base-Backbone interact. energy: -0.043
local terms energy: -21.624516
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.596
flat angles P-C4'-P energy: -4.462
tors. eta vs tors. theta energy: -0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -51.972199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.972199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.972199 (E_RNA)
where:
Base-Base interactions energy: -25.569
where: short stacking energy: -25.569
Base-Backbone interact. energy: -0.000
local terms energy: -26.403392
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -3.345
flat angles P-C4'-P energy: -3.820
tors. eta vs tors. theta energy: -6.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -50.193202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.193202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.193202 (E_RNA)
where:
Base-Base interactions energy: -23.022
where: short stacking energy: -23.022
Base-Backbone interact. energy: -0.000
local terms energy: -27.170816
where:
bonds (distance) C4'-P energy: -4.292
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.400
flat angles P-C4'-P energy: -3.072
tors. eta vs tors. theta energy: -6.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -47.198077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.198077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.198077 (E_RNA)
where:
Base-Base interactions energy: -22.488
where: short stacking energy: -22.488
Base-Backbone interact. energy: -0.000
local terms energy: -24.709631
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -5.817
flat angles P-C4'-P energy: -3.071
tors. eta vs tors. theta energy: -4.598
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: 3
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -38.885294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.885294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.885294 (E_RNA)
where:
Base-Base interactions energy: -17.197
where: short stacking energy: -17.197
Base-Backbone interact. energy: -0.647
local terms energy: -21.041334
where:
bonds (distance) C4'-P energy: -3.452
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -5.337
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: -1.396
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: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -45.264415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.264415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.264415 (E_RNA)
where:
Base-Base interactions energy: -19.202
where: short stacking energy: -19.202
Base-Backbone interact. energy: -0.000
local terms energy: -26.062336
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -6.301
flat angles P-C4'-P energy: -4.037
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: 6, replica: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -34.508895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.508895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.508895 (E_RNA)
where:
Base-Base interactions energy: -13.599
where: short stacking energy: -13.599
Base-Backbone interact. energy: -0.054
local terms energy: -20.856328
where:
bonds (distance) C4'-P energy: -2.657
bonds (distance) P-C4' energy: -6.125
flat angles C4'-P-C4' energy: -5.640
flat angles P-C4'-P energy: -4.294
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: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -41.305419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.305419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.305419 (E_RNA)
where:
Base-Base interactions energy: -17.348
where: short stacking energy: -11.926
Base-Backbone interact. energy: -0.070
local terms energy: -23.887807
where:
bonds (distance) C4'-P energy: -4.587
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -4.757
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -2.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -34.239634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.239634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.239634 (E_RNA)
where:
Base-Base interactions energy: -11.846
where: short stacking energy: -11.846
Base-Backbone interact. energy: -0.001
local terms energy: -22.393547
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -3.976
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: -2.289
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: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -37.872674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.872674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.872674 (E_RNA)
where:
Base-Base interactions energy: -15.881
where: short stacking energy: -15.881
Base-Backbone interact. energy: -0.001
local terms energy: -21.990468
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.082
flat angles C4'-P-C4' energy: -2.381
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -31.574223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.574223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.574223 (E_RNA)
where:
Base-Base interactions energy: -11.369
where: short stacking energy: -11.369
Base-Backbone interact. energy: -0.028
local terms energy: -20.177261
where:
bonds (distance) C4'-P energy: -5.287
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -4.663
flat angles P-C4'-P energy: -2.837
tors. eta vs tors. theta energy: -1.431
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: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -43.213156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.213156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.213156 (E_RNA)
where:
Base-Base interactions energy: -16.060
where: short stacking energy: -16.060
Base-Backbone interact. energy: -0.000
local terms energy: -27.153090
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -6.203
flat angles P-C4'-P energy: -4.176
tors. eta vs tors. theta energy: -5.543
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: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -44.655428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.655428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.655428 (E_RNA)
where:
Base-Base interactions energy: -23.003
where: short stacking energy: -17.208
Base-Backbone interact. energy: -0.001
local terms energy: -21.651308
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -4.469
flat angles P-C4'-P energy: -2.774
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: 3, replica: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -47.417502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.417502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.417502 (E_RNA)
where:
Base-Base interactions energy: -21.547
where: short stacking energy: -21.547
Base-Backbone interact. energy: -0.000
local terms energy: -25.870755
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.837
flat angles P-C4'-P energy: -2.931
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -41.613862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.613862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.613862 (E_RNA)
where:
Base-Base interactions energy: -16.782
where: short stacking energy: -16.782
Base-Backbone interact. energy: -0.003
local terms energy: -24.829153
where:
bonds (distance) C4'-P energy: -5.101
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -4.428
flat angles P-C4'-P energy: -4.672
tors. eta vs tors. theta energy: -4.640
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: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -39.925703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.925703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.925703 (E_RNA)
where:
Base-Base interactions energy: -23.645
where: short stacking energy: -15.099
Base-Backbone interact. energy: -0.005
local terms energy: -16.276458
where:
bonds (distance) C4'-P energy: -2.206
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -4.325
flat angles P-C4'-P energy: -2.305
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: 6, replica: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -45.465848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.465848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.465848 (E_RNA)
where:
Base-Base interactions energy: -24.015
where: short stacking energy: -8.151
Base-Backbone interact. energy: -0.069
local terms energy: -21.381919
where:
bonds (distance) C4'-P energy: -5.543
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.656
flat angles P-C4'-P energy: -3.135
tors. eta vs tors. theta energy: -0.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -33.702634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.702634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.702634 (E_RNA)
where:
Base-Base interactions energy: -10.326
where: short stacking energy: -10.526
Base-Backbone interact. energy: -0.000
local terms energy: -23.376350
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -4.230
flat angles C4'-P-C4' energy: -5.180
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -3.053
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: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -30.385516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.385516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.385516 (E_RNA)
where:
Base-Base interactions energy: -8.799
where: short stacking energy: -8.799
Base-Backbone interact. energy: -0.002
local terms energy: -21.584894
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -4.930
flat angles P-C4'-P energy: -2.840
tors. eta vs tors. theta energy: -1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -35.503651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.503651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.503651 (E_RNA)
where:
Base-Base interactions energy: -11.155
where: short stacking energy: -11.155
Base-Backbone interact. energy: -0.000
local terms energy: -24.348383
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.834
flat angles P-C4'-P energy: -2.850
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: 10, replica: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -33.431481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.431481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.431481 (E_RNA)
where:
Base-Base interactions energy: -12.151
where: short stacking energy: -12.151
Base-Backbone interact. energy: 0.256
local terms energy: -21.535636
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -3.609
flat angles C4'-P-C4' energy: -5.399
flat angles P-C4'-P energy: -4.616
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: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -51.973513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.973513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.973513 (E_RNA)
where:
Base-Base interactions energy: -26.056
where: short stacking energy: -26.056
Base-Backbone interact. energy: -0.000
local terms energy: -25.917081
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -6.355
flat angles C4'-P-C4' energy: -5.441
flat angles P-C4'-P energy: -2.478
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: 2, replica: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -46.443037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.443037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.443037 (E_RNA)
where:
Base-Base interactions energy: -33.659
where: short stacking energy: -11.216
Base-Backbone interact. energy: -0.153
local terms energy: -12.631193
where:
bonds (distance) C4'-P energy: -4.090
bonds (distance) P-C4' energy: -5.410
flat angles C4'-P-C4' energy: -1.072
flat angles P-C4'-P energy: -0.022
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -45.592448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.592448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.592448 (E_RNA)
where:
Base-Base interactions energy: -20.125
where: short stacking energy: -20.125
Base-Backbone interact. energy: -0.000
local terms energy: -25.467824
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -4.463
flat angles C4'-P-C4' energy: -5.636
flat angles P-C4'-P energy: -4.255
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: 4, replica: 9
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -48.467563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.467563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.467563 (E_RNA)
where:
Base-Base interactions energy: -27.116
where: short stacking energy: -12.779
Base-Backbone interact. energy: -0.078
local terms energy: -21.273851
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -5.352
flat angles P-C4'-P energy: -1.395
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -43.733673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.733673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.733673 (E_RNA)
where:
Base-Base interactions energy: -22.044
where: short stacking energy: -22.044
Base-Backbone interact. energy: -0.000
local terms energy: -21.689871
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -3.604
flat angles P-C4'-P energy: 1.135
tors. eta vs tors. theta energy: -7.441
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: 4
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -37.217105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.217105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.217105 (E_RNA)
where:
Base-Base interactions energy: -12.719
where: short stacking energy: -12.719
Base-Backbone interact. energy: -0.005
local terms energy: -24.493264
where:
bonds (distance) C4'-P energy: -4.735
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -5.703
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -38.717053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.717053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.717053 (E_RNA)
where:
Base-Base interactions energy: -17.966
where: short stacking energy: -17.966
Base-Backbone interact. energy: -0.000
local terms energy: -20.751478
where:
bonds (distance) C4'-P energy: -4.169
bonds (distance) P-C4' energy: -5.826
flat angles C4'-P-C4' energy: -5.092
flat angles P-C4'-P energy: -2.146
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -32.603372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.603372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.603372 (E_RNA)
where:
Base-Base interactions energy: -10.397
where: short stacking energy: -10.397
Base-Backbone interact. energy: -0.000
local terms energy: -22.205754
where:
bonds (distance) C4'-P energy: -2.897
bonds (distance) P-C4' energy: -4.122
flat angles C4'-P-C4' energy: -6.091
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -33.987566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.987566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.987566 (E_RNA)
where:
Base-Base interactions energy: -13.270
where: short stacking energy: -13.270
Base-Backbone interact. energy: -0.012
local terms energy: -20.705841
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.209
flat angles C4'-P-C4' energy: -5.885
flat angles P-C4'-P energy: -2.556
tors. eta vs tors. theta energy: -1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -32.263200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.263200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.263200 (E_RNA)
where:
Base-Base interactions energy: -13.193
where: short stacking energy: -13.193
Base-Backbone interact. energy: -0.000
local terms energy: -19.069819
where:
bonds (distance) C4'-P energy: -5.651
bonds (distance) P-C4' energy: -5.730
flat angles C4'-P-C4' energy: -3.928
flat angles P-C4'-P energy: -2.387
tors. eta vs tors. theta energy: -1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -43.204080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.204080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.204080 (E_RNA)
where:
Base-Base interactions energy: -21.982
where: short stacking energy: -5.282
Base-Backbone interact. energy: -0.366
local terms energy: -20.856559
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -4.463
flat angles P-C4'-P energy: -2.406
tors. eta vs tors. theta energy: -1.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -45.451455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.451455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.451455 (E_RNA)
where:
Base-Base interactions energy: -20.874
where: short stacking energy: -20.874
Base-Backbone interact. energy: -0.002
local terms energy: -24.576117
where:
bonds (distance) C4'-P energy: -4.380
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -3.876
flat angles P-C4'-P energy: -4.897
tors. eta vs tors. theta energy: -4.985
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: 358
Temperature: 1.000000
Total energy: -48.811421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.811421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.811421 (E_RNA)
where:
Base-Base interactions energy: -22.338
where: short stacking energy: -22.338
Base-Backbone interact. energy: -0.000
local terms energy: -26.473574
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -5.537
flat angles C4'-P-C4' energy: -5.903
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: -4.425
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: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -46.234630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.234630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.234630 (E_RNA)
where:
Base-Base interactions energy: -21.995
where: short stacking energy: -21.995
Base-Backbone interact. energy: -0.000
local terms energy: -24.239923
where:
bonds (distance) C4'-P energy: -4.395
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -4.268
flat angles P-C4'-P energy: -3.284
tors. eta vs tors. theta energy: -5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -34.073829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.073829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.073829 (E_RNA)
where:
Base-Base interactions energy: -16.861
where: short stacking energy: -9.037
Base-Backbone interact. energy: -0.104
local terms energy: -17.109467
where:
bonds (distance) C4'-P energy: -4.308
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -3.700
flat angles P-C4'-P energy: -2.308
tors. eta vs tors. theta energy: -0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -43.441090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.441090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.441090 (E_RNA)
where:
Base-Base interactions energy: -19.311
where: short stacking energy: -19.311
Base-Backbone interact. energy: -0.000
local terms energy: -24.129845
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -5.279
flat angles C4'-P-C4' energy: -4.804
flat angles P-C4'-P energy: -4.773
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: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -38.268020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.268020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.268020 (E_RNA)
where:
Base-Base interactions energy: -17.399
where: short stacking energy: -17.399
Base-Backbone interact. energy: -0.031
local terms energy: -20.838042
where:
bonds (distance) C4'-P energy: -3.655
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -5.067
flat angles P-C4'-P energy: -4.012
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: 8, replica: 7
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -31.501941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.501941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.501941 (E_RNA)
where:
Base-Base interactions energy: -10.183
where: short stacking energy: -10.183
Base-Backbone interact. energy: -0.001
local terms energy: -21.318564
where:
bonds (distance) C4'-P energy: -5.306
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -4.521
flat angles P-C4'-P energy: -2.979
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -35.051201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.051201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.051201 (E_RNA)
where:
Base-Base interactions energy: -17.904
where: short stacking energy: -17.904
Base-Backbone interact. energy: -0.000
local terms energy: -17.147604
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -3.801
flat angles C4'-P-C4' energy: -4.986
flat angles P-C4'-P energy: 2.004
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -34.193222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.193222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.193222 (E_RNA)
where:
Base-Base interactions energy: -12.643
where: short stacking energy: -12.643
Base-Backbone interact. energy: -0.007
local terms energy: -21.543257
where:
bonds (distance) C4'-P energy: -4.222
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.619
flat angles P-C4'-P energy: -2.303
tors. eta vs tors. theta energy: -2.491
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: 1, replica: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -50.765488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.765488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.765488 (E_RNA)
where:
Base-Base interactions energy: -24.943
where: short stacking energy: -24.943
Base-Backbone interact. energy: -0.000
local terms energy: -25.822674
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -5.371
flat angles P-C4'-P energy: -3.744
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -47.777188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.777188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.777188 (E_RNA)
where:
Base-Base interactions energy: -20.485
where: short stacking energy: -20.485
Base-Backbone interact. energy: -0.000
local terms energy: -27.291959
where:
bonds (distance) C4'-P energy: -4.354
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -5.886
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -5.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -51.823087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.823087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.823087 (E_RNA)
where:
Base-Base interactions energy: -24.537
where: short stacking energy: -24.537
Base-Backbone interact. energy: -0.000
local terms energy: -27.285674
where:
bonds (distance) C4'-P energy: -2.433
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -6.658
flat angles P-C4'-P energy: -3.864
tors. eta vs tors. theta energy: -7.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -38.513734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.513734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.513734 (E_RNA)
where:
Base-Base interactions energy: -16.116
where: short stacking energy: -16.116
Base-Backbone interact. energy: -0.029
local terms energy: -22.368789
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -3.517
flat angles P-C4'-P energy: -4.422
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: 5, replica: 9
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -34.658425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.658425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.658425 (E_RNA)
where:
Base-Base interactions energy: -14.124
where: short stacking energy: -14.124
Base-Backbone interact. energy: -0.005
local terms energy: -20.529548
where:
bonds (distance) C4'-P energy: -2.327
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -6.146
flat angles P-C4'-P energy: -3.239
tors. eta vs tors. theta energy: -2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -43.278234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.278234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.278234 (E_RNA)
where:
Base-Base interactions energy: -19.327
where: short stacking energy: -19.327
Base-Backbone interact. energy: -0.000
local terms energy: -23.951368
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -4.131
flat angles P-C4'-P energy: -1.558
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: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -34.036033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.036033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.036033 (E_RNA)
where:
Base-Base interactions energy: -13.176
where: short stacking energy: -13.176
Base-Backbone interact. energy: -0.000
local terms energy: -20.859620
where:
bonds (distance) C4'-P energy: -4.869
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.082
flat angles P-C4'-P energy: -3.128
tors. eta vs tors. theta energy: -1.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -36.035421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.035421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.035421 (E_RNA)
where:
Base-Base interactions energy: -16.574
where: short stacking energy: -15.024
Base-Backbone interact. energy: -0.083
local terms energy: -19.377888
where:
bonds (distance) C4'-P energy: -3.492
bonds (distance) P-C4' energy: -5.283
flat angles C4'-P-C4' energy: -6.446
flat angles P-C4'-P energy: -1.818
tors. eta vs tors. theta energy: -2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -38.909018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.909018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.909018 (E_RNA)
where:
Base-Base interactions energy: -15.264
where: short stacking energy: -7.450
Base-Backbone interact. energy: -0.152
local terms energy: -23.493043
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -5.705
flat angles C4'-P-C4' energy: -3.658
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -35.010641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.010641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.010641 (E_RNA)
where:
Base-Base interactions energy: -15.347
where: short stacking energy: -15.347
Base-Backbone interact. energy: -0.000
local terms energy: -19.663278
where:
bonds (distance) C4'-P energy: -4.913
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -3.638
flat angles P-C4'-P energy: -3.759
tors. eta vs tors. theta energy: -1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -56.424458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.424458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.424458 (E_RNA)
where:
Base-Base interactions energy: -33.721
where: short stacking energy: -18.839
Base-Backbone interact. energy: -0.056
local terms energy: -22.646520
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.065
flat angles C4'-P-C4' energy: -4.153
flat angles P-C4'-P energy: -2.523
tors. eta vs tors. theta energy: -4.784
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: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -48.433638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.433638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.433638 (E_RNA)
where:
Base-Base interactions energy: -22.483
where: short stacking energy: -22.483
Base-Backbone interact. energy: -0.000
local terms energy: -25.950677
where:
bonds (distance) C4'-P energy: -3.696
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.862
flat angles P-C4'-P energy: -4.005
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: 3, replica: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -43.847265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.847265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.847265 (E_RNA)
where:
Base-Base interactions energy: -20.518
where: short stacking energy: -20.518
Base-Backbone interact. energy: -0.000
local terms energy: -23.329021
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.506
flat angles C4'-P-C4' energy: -3.593
flat angles P-C4'-P energy: -3.355
tors. eta vs tors. theta energy: -4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -40.567156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.567156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.567156 (E_RNA)
where:
Base-Base interactions energy: -16.354
where: short stacking energy: -16.354
Base-Backbone interact. energy: -0.000
local terms energy: -24.213617
where:
bonds (distance) C4'-P energy: -4.404
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.211
flat angles P-C4'-P energy: -2.614
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -40.328282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.328282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.328282 (E_RNA)
where:
Base-Base interactions energy: -16.355
where: short stacking energy: -15.938
Base-Backbone interact. energy: -0.002
local terms energy: -23.971992
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -5.920
flat angles C4'-P-C4' energy: -6.063
flat angles P-C4'-P energy: -3.679
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -42.298201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.298201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.298201 (E_RNA)
where:
Base-Base interactions energy: -16.321
where: short stacking energy: -16.321
Base-Backbone interact. energy: -0.000
local terms energy: -25.977336
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -4.860
flat angles C4'-P-C4' energy: -5.676
flat angles P-C4'-P energy: -4.840
tors. eta vs tors. theta energy: -5.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -35.774211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.774211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.774211 (E_RNA)
where:
Base-Base interactions energy: -14.830
where: short stacking energy: -14.830
Base-Backbone interact. energy: -0.000
local terms energy: -20.944498
where:
bonds (distance) C4'-P energy: -5.365
bonds (distance) P-C4' energy: -5.420
flat angles C4'-P-C4' energy: -3.149
flat angles P-C4'-P energy: -3.961
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -40.590216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.590216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.590216 (E_RNA)
where:
Base-Base interactions energy: -16.575
where: short stacking energy: -16.575
Base-Backbone interact. energy: -0.000
local terms energy: -24.015636
where:
bonds (distance) C4'-P energy: -4.285
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -6.586
flat angles P-C4'-P energy: -1.495
tors. eta vs tors. theta energy: -6.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -29.736759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.736759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.736759 (E_RNA)
where:
Base-Base interactions energy: -8.368
where: short stacking energy: -5.842
Base-Backbone interact. energy: -0.108
local terms energy: -21.260731
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.864
flat angles C4'-P-C4' energy: -5.078
flat angles P-C4'-P energy: -3.748
tors. eta vs tors. theta energy: -0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -33.570314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.570314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.570314 (E_RNA)
where:
Base-Base interactions energy: -12.319
where: short stacking energy: -12.319
Base-Backbone interact. energy: -0.000
local terms energy: -21.251723
where:
bonds (distance) C4'-P energy: -5.216
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.853
flat angles P-C4'-P energy: -3.716
tors. eta vs tors. theta energy: -0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -46.220361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.220361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.220361 (E_RNA)
where:
Base-Base interactions energy: -21.235
where: short stacking energy: -21.235
Base-Backbone interact. energy: -0.006
local terms energy: -24.978603
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.112
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -44.073637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.073637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.073637 (E_RNA)
where:
Base-Base interactions energy: -20.996
where: short stacking energy: -6.759
Base-Backbone interact. energy: -0.038
local terms energy: -23.039431
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -5.861
flat angles C4'-P-C4' energy: -6.136
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -43.000490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.000490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.000490 (E_RNA)
where:
Base-Base interactions energy: -17.321
where: short stacking energy: -17.321
Base-Backbone interact. energy: -0.002
local terms energy: -25.677134
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -6.039
flat angles P-C4'-P energy: -3.415
tors. eta vs tors. theta energy: -4.150
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: 361
Temperature: 1.050000
Total energy: -42.571651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.571651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.571651 (E_RNA)
where:
Base-Base interactions energy: -22.623
where: short stacking energy: -16.487
Base-Backbone interact. energy: -0.003
local terms energy: -19.946596
where:
bonds (distance) C4'-P energy: -2.306
bonds (distance) P-C4' energy: -3.997
flat angles C4'-P-C4' energy: -6.538
flat angles P-C4'-P energy: -3.150
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -41.739458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.739458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.739458 (E_RNA)
where:
Base-Base interactions energy: -18.260
where: short stacking energy: -18.260
Base-Backbone interact. energy: -0.034
local terms energy: -23.445511
where:
bonds (distance) C4'-P energy: -3.990
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -4.681
flat angles P-C4'-P energy: -3.220
tors. eta vs tors. theta energy: -5.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -48.779534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.779534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.779534 (E_RNA)
where:
Base-Base interactions energy: -21.145
where: short stacking energy: -21.145
Base-Backbone interact. energy: -0.000
local terms energy: -27.634428
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.628
flat angles C4'-P-C4' energy: -5.505
flat angles P-C4'-P energy: -4.063
tors. eta vs tors. theta energy: -5.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -36.510112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.510112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.510112 (E_RNA)
where:
Base-Base interactions energy: -13.259
where: short stacking energy: -13.259
Base-Backbone interact. energy: -0.006
local terms energy: -23.245363
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -2.689
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -40.207098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.207098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.207098 (E_RNA)
where:
Base-Base interactions energy: -15.150
where: short stacking energy: -11.502
Base-Backbone interact. energy: 0.741
local terms energy: -25.798430
where:
bonds (distance) C4'-P energy: -5.037
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -5.834
flat angles P-C4'-P energy: -4.120
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -34.758202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.758202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.758202 (E_RNA)
where:
Base-Base interactions energy: -14.867
where: short stacking energy: -14.867
Base-Backbone interact. energy: -0.006
local terms energy: -19.885843
where:
bonds (distance) C4'-P energy: -3.858
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -4.819
flat angles P-C4'-P energy: -2.845
tors. eta vs tors. theta energy: -2.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -40.115505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.115505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.115505 (E_RNA)
where:
Base-Base interactions energy: -25.830
where: short stacking energy: -10.941
Base-Backbone interact. energy: -0.075
local terms energy: -14.210791
where:
bonds (distance) C4'-P energy: -5.029
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -2.695
flat angles P-C4'-P energy: -1.669
tors. eta vs tors. theta energy: 0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -45.337788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.337788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.337788 (E_RNA)
where:
Base-Base interactions energy: -23.033
where: short stacking energy: -23.033
Base-Backbone interact. energy: -0.010
local terms energy: -22.294685
where:
bonds (distance) C4'-P energy: -5.215
bonds (distance) P-C4' energy: -4.790
flat angles C4'-P-C4' energy: -5.971
flat angles P-C4'-P energy: -2.351
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: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -47.413700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.413700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.413700 (E_RNA)
where:
Base-Base interactions energy: -20.955
where: short stacking energy: -16.923
Base-Backbone interact. energy: -1.121
local terms energy: -25.338577
where:
bonds (distance) C4'-P energy: -5.047
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -4.718
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -46.999949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.999949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.999949 (E_RNA)
where:
Base-Base interactions energy: -19.471
where: short stacking energy: -19.471
Base-Backbone interact. energy: -0.000
local terms energy: -27.528612
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -4.965
flat angles P-C4'-P energy: -5.239
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: 4, replica: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -39.467432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.467432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.467432 (E_RNA)
where:
Base-Base interactions energy: -17.701
where: short stacking energy: -17.701
Base-Backbone interact. energy: -0.001
local terms energy: -21.765009
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -4.844
flat angles P-C4'-P energy: -2.045
tors. eta vs tors. theta energy: -3.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -37.877886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.877886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.877886 (E_RNA)
where:
Base-Base interactions energy: -12.897
where: short stacking energy: -12.897
Base-Backbone interact. energy: -0.017
local terms energy: -24.964014
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.308
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -1.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -37.650886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.650886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.650886 (E_RNA)
where:
Base-Base interactions energy: -14.781
where: short stacking energy: -14.781
Base-Backbone interact. energy: -0.001
local terms energy: -22.869157
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -3.117
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -38.578718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.578718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.578718 (E_RNA)
where:
Base-Base interactions energy: -17.769
where: short stacking energy: -13.787
Base-Backbone interact. energy: -0.121
local terms energy: -20.688354
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -5.840
flat angles C4'-P-C4' energy: -6.112
flat angles P-C4'-P energy: -2.740
tors. eta vs tors. theta energy: -0.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -35.020293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.020293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.020293 (E_RNA)
where:
Base-Base interactions energy: -9.905
where: short stacking energy: -9.905
Base-Backbone interact. energy: -0.002
local terms energy: -25.113474
where:
bonds (distance) C4'-P energy: -4.471
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -5.949
flat angles P-C4'-P energy: -3.676
tors. eta vs tors. theta energy: -3.888
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: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -33.804436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.804436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.804436 (E_RNA)
where:
Base-Base interactions energy: -10.989
where: short stacking energy: -10.989
Base-Backbone interact. energy: -0.000
local terms energy: -22.815448
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.047
flat angles C4'-P-C4' energy: -4.693
flat angles P-C4'-P energy: -4.015
tors. eta vs tors. theta energy: -3.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -33.085477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.085477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.085477 (E_RNA)
where:
Base-Base interactions energy: -9.419
where: short stacking energy: -9.419
Base-Backbone interact. energy: -0.000
local terms energy: -23.666048
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.100
flat angles P-C4'-P energy: -3.867
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -47.109061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.109061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.109061 (E_RNA)
where:
Base-Base interactions energy: -19.880
where: short stacking energy: -19.880
Base-Backbone interact. energy: -0.001
local terms energy: -27.228155
where:
bonds (distance) C4'-P energy: -6.160
bonds (distance) P-C4' energy: -6.100
flat angles C4'-P-C4' energy: -4.630
flat angles P-C4'-P energy: -5.266
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: 2, replica: 5
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -49.611177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.611177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.611177 (E_RNA)
where:
Base-Base interactions energy: -23.195
where: short stacking energy: -23.195
Base-Backbone interact. energy: -0.000
local terms energy: -26.416441
where:
bonds (distance) C4'-P energy: -5.128
bonds (distance) P-C4' energy: -5.318
flat angles C4'-P-C4' energy: -5.997
flat angles P-C4'-P energy: -4.043
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -45.710441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.710441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.710441 (E_RNA)
where:
Base-Base interactions energy: -19.554
where: short stacking energy: -19.554
Base-Backbone interact. energy: -0.000
local terms energy: -26.155844
where:
bonds (distance) C4'-P energy: -4.913
bonds (distance) P-C4' energy: -4.187
flat angles C4'-P-C4' energy: -6.171
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -5.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -43.729008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.729008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.729008 (E_RNA)
where:
Base-Base interactions energy: -18.418
where: short stacking energy: -18.418
Base-Backbone interact. energy: -0.001
local terms energy: -25.309133
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.476
flat angles P-C4'-P energy: -2.556
tors. eta vs tors. theta energy: -6.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -36.718923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.718923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.718923 (E_RNA)
where:
Base-Base interactions energy: -10.501
where: short stacking energy: -10.501
Base-Backbone interact. energy: -0.000
local terms energy: -26.218074
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.678
flat angles C4'-P-C4' energy: -6.190
flat angles P-C4'-P energy: -2.735
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: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -35.505909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.505909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.505909 (E_RNA)
where:
Base-Base interactions energy: -13.388
where: short stacking energy: -13.388
Base-Backbone interact. energy: -0.000
local terms energy: -22.117339
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -3.740
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -40.292335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.292335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.292335 (E_RNA)
where:
Base-Base interactions energy: -15.128
where: short stacking energy: -15.128
Base-Backbone interact. energy: -0.000
local terms energy: -25.164754
where:
bonds (distance) C4'-P energy: -5.360
bonds (distance) P-C4' energy: -5.068
flat angles C4'-P-C4' energy: -5.483
flat angles P-C4'-P energy: -3.516
tors. eta vs tors. theta energy: -5.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -36.954049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.954049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.954049 (E_RNA)
where:
Base-Base interactions energy: -13.985
where: short stacking energy: -13.985
Base-Backbone interact. energy: -0.001
local terms energy: -22.968293
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -4.575
flat angles P-C4'-P energy: -2.729
tors. eta vs tors. theta energy: -3.068
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: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -35.100917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.100917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.100917 (E_RNA)
where:
Base-Base interactions energy: -17.027
where: short stacking energy: -17.027
Base-Backbone interact. energy: -0.000
local terms energy: -18.073949
where:
bonds (distance) C4'-P energy: -1.345
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.268
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: -1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -38.278840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.278840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.278840 (E_RNA)
where:
Base-Base interactions energy: -17.182
where: short stacking energy: -17.182
Base-Backbone interact. energy: -0.000
local terms energy: -21.096683
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -4.128
flat angles C4'-P-C4' energy: -5.168
flat angles P-C4'-P energy: -4.372
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -54.773185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.773185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.773185 (E_RNA)
where:
Base-Base interactions energy: -33.760
where: short stacking energy: -16.790
Base-Backbone interact. energy: -0.112
local terms energy: -20.901174
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -5.678
flat angles C4'-P-C4' energy: -6.208
flat angles P-C4'-P energy: -1.985
tors. eta vs tors. theta energy: -1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -48.446278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.446278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.446278 (E_RNA)
where:
Base-Base interactions energy: -22.374
where: short stacking energy: -22.374
Base-Backbone interact. energy: -0.000
local terms energy: -26.072167
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.112
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -47.735355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.735355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.735355 (E_RNA)
where:
Base-Base interactions energy: -26.841
where: short stacking energy: -14.815
Base-Backbone interact. energy: -0.005
local terms energy: -20.889552
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -5.920
flat angles C4'-P-C4' energy: -6.799
flat angles P-C4'-P energy: -0.728
tors. eta vs tors. theta energy: -2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -46.057653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.057653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.057653 (E_RNA)
where:
Base-Base interactions energy: -19.293
where: short stacking energy: -19.293
Base-Backbone interact. energy: -0.010
local terms energy: -26.754513
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.429
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -4.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -43.475637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.475637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.475637 (E_RNA)
where:
Base-Base interactions energy: -19.495
where: short stacking energy: -19.495
Base-Backbone interact. energy: -0.000
local terms energy: -23.980191
where:
bonds (distance) C4'-P energy: -3.112
bonds (distance) P-C4' energy: -5.681
flat angles C4'-P-C4' energy: -5.876
flat angles P-C4'-P energy: -2.624
tors. eta vs tors. theta energy: -6.686
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: 364
Temperature: 1.150000
Total energy: -42.950035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.950035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.950035 (E_RNA)
where:
Base-Base interactions energy: -19.156
where: short stacking energy: -18.969
Base-Backbone interact. energy: -0.000
local terms energy: -23.793576
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -3.741
flat angles P-C4'-P energy: -2.506
tors. eta vs tors. theta energy: -6.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -46.658694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.658694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.658694 (E_RNA)
where:
Base-Base interactions energy: -19.633
where: short stacking energy: -19.633
Base-Backbone interact. energy: -0.000
local terms energy: -27.026028
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.537
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -3.415
tors. eta vs tors. theta energy: -7.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -37.220134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.220134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.220134 (E_RNA)
where:
Base-Base interactions energy: -16.380
where: short stacking energy: -9.066
Base-Backbone interact. energy: -0.062
local terms energy: -20.778780
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -5.146
flat angles C4'-P-C4' energy: -4.847
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: 0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -39.938140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.938140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.938140 (E_RNA)
where:
Base-Base interactions energy: -16.322
where: short stacking energy: -16.322
Base-Backbone interact. energy: -0.001
local terms energy: -23.615814
where:
bonds (distance) C4'-P energy: -2.686
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -5.232
flat angles P-C4'-P energy: -4.414
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: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -37.597806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.597806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.597806 (E_RNA)
where:
Base-Base interactions energy: -14.217
where: short stacking energy: -14.217
Base-Backbone interact. energy: -0.006
local terms energy: -23.374950
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.009
flat angles P-C4'-P energy: -3.434
tors. eta vs tors. theta energy: -2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -48.483841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.483841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.483841 (E_RNA)
where:
Base-Base interactions energy: -22.669
where: short stacking energy: -18.242
Base-Backbone interact. energy: -0.004
local terms energy: -25.810291
where:
bonds (distance) C4'-P energy: -6.276
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -5.528
flat angles P-C4'-P energy: -4.439
tors. eta vs tors. theta energy: -2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -47.514959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.514959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.514959 (E_RNA)
where:
Base-Base interactions energy: -28.421
where: short stacking energy: -18.498
Base-Backbone interact. energy: -0.000
local terms energy: -19.094104
where:
bonds (distance) C4'-P energy: -0.413
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.752
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: -1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -51.310583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.310583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.310583 (E_RNA)
where:
Base-Base interactions energy: -30.786
where: short stacking energy: -16.475
Base-Backbone interact. energy: -0.002
local terms energy: -20.522641
where:
bonds (distance) C4'-P energy: -4.339
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.363
flat angles P-C4'-P energy: -2.621
tors. eta vs tors. theta energy: -1.529
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: 4, replica: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -43.967368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.967368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.967368 (E_RNA)
where:
Base-Base interactions energy: -18.451
where: short stacking energy: -18.451
Base-Backbone interact. energy: 0.316
local terms energy: -25.832373
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.054
flat angles P-C4'-P energy: -3.631
tors. eta vs tors. theta energy: -4.596
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: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -45.591419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.591419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.591419 (E_RNA)
where:
Base-Base interactions energy: -22.013
where: short stacking energy: -22.013
Base-Backbone interact. energy: -0.007
local terms energy: -23.571348
where:
bonds (distance) C4'-P energy: -3.912
bonds (distance) P-C4' energy: -5.304
flat angles C4'-P-C4' energy: -4.572
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: -6.100
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: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -36.712994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.712994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.712994 (E_RNA)
where:
Base-Base interactions energy: -10.505
where: short stacking energy: -10.505
Base-Backbone interact. energy: -0.093
local terms energy: -26.115112
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -45.268965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.268965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.268965 (E_RNA)
where:
Base-Base interactions energy: -17.826
where: short stacking energy: -17.826
Base-Backbone interact. energy: -0.000
local terms energy: -27.442516
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -6.357
flat angles P-C4'-P energy: -3.844
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -34.981564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.981564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.981564 (E_RNA)
where:
Base-Base interactions energy: -13.970
where: short stacking energy: -11.783
Base-Backbone interact. energy: -0.040
local terms energy: -20.970933
where:
bonds (distance) C4'-P energy: -4.392
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.012
flat angles P-C4'-P energy: -1.894
tors. eta vs tors. theta energy: -1.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -36.149891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.149891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.149891 (E_RNA)
where:
Base-Base interactions energy: -13.008
where: short stacking energy: -13.008
Base-Backbone interact. energy: -1.054
local terms energy: -22.088496
where:
bonds (distance) C4'-P energy: -4.354
bonds (distance) P-C4' energy: -5.251
flat angles C4'-P-C4' energy: -5.521
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -32.690006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.690006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.690006 (E_RNA)
where:
Base-Base interactions energy: -15.354
where: short stacking energy: -15.354
Base-Backbone interact. energy: -0.000
local terms energy: -17.336035
where:
bonds (distance) C4'-P energy: -2.170
bonds (distance) P-C4' energy: -4.944
flat angles C4'-P-C4' energy: -5.128
flat angles P-C4'-P energy: -1.659
tors. eta vs tors. theta energy: -3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -47.341195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.341195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.341195 (E_RNA)
where:
Base-Base interactions energy: -22.227
where: short stacking energy: -22.227
Base-Backbone interact. energy: -0.000
local terms energy: -25.114044
where:
bonds (distance) C4'-P energy: -3.825
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -4.628
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -5.045
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: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -44.864208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.864208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.864208 (E_RNA)
where:
Base-Base interactions energy: -22.847
where: short stacking energy: -17.132
Base-Backbone interact. energy: -0.340
local terms energy: -21.676944
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -5.509
flat angles C4'-P-C4' energy: -5.165
flat angles P-C4'-P energy: -3.542
tors. eta vs tors. theta energy: -2.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -46.658816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.658816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.658816 (E_RNA)
where:
Base-Base interactions energy: -24.195
where: short stacking energy: -17.339
Base-Backbone interact. energy: -0.000
local terms energy: -22.463191
where:
bonds (distance) C4'-P energy: -4.731
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.585
flat angles P-C4'-P energy: -3.238
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: 4, replica: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -43.976489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.976489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.976489 (E_RNA)
where:
Base-Base interactions energy: -18.811
where: short stacking energy: -16.106
Base-Backbone interact. energy: 0.123
local terms energy: -25.288124
where:
bonds (distance) C4'-P energy: -3.175
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -6.328
flat angles P-C4'-P energy: -4.904
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: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -41.832553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.832553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.832553 (E_RNA)
where:
Base-Base interactions energy: -18.091
where: short stacking energy: -18.091
Base-Backbone interact. energy: -0.001
local terms energy: -23.740206
where:
bonds (distance) C4'-P energy: -3.295
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.120
flat angles P-C4'-P energy: -3.365
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -36.765393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.765393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.765393 (E_RNA)
where:
Base-Base interactions energy: -15.579
where: short stacking energy: -15.579
Base-Backbone interact. energy: -0.000
local terms energy: -21.186347
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -4.323
flat angles P-C4'-P energy: -4.197
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -37.366278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.366278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.366278 (E_RNA)
where:
Base-Base interactions energy: -22.785
where: short stacking energy: -12.798
Base-Backbone interact. energy: -0.007
local terms energy: -14.574340
where:
bonds (distance) C4'-P energy: -2.554
bonds (distance) P-C4' energy: -3.997
flat angles C4'-P-C4' energy: -4.230
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: 0.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -37.932445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.932445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.932445 (E_RNA)
where:
Base-Base interactions energy: -14.347
where: short stacking energy: -14.347
Base-Backbone interact. energy: -0.009
local terms energy: -23.576750
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -4.410
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -3.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -33.597022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.597022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.597022 (E_RNA)
where:
Base-Base interactions energy: -11.399
where: short stacking energy: -11.399
Base-Backbone interact. energy: -0.047
local terms energy: -22.151041
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -4.917
flat angles C4'-P-C4' energy: -3.685
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -3.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -31.147773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.147773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.147773 (E_RNA)
where:
Base-Base interactions energy: -10.043
where: short stacking energy: -9.582
Base-Backbone interact. energy: -0.171
local terms energy: -20.934574
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.882
flat angles P-C4'-P energy: -2.641
tors. eta vs tors. theta energy: -1.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -50.377304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.377304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.377304 (E_RNA)
where:
Base-Base interactions energy: -21.178
where: short stacking energy: -21.178
Base-Backbone interact. energy: -0.021
local terms energy: -29.178458
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.781
flat angles P-C4'-P energy: -4.261
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -43.345444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.345444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.345444 (E_RNA)
where:
Base-Base interactions energy: -17.915
where: short stacking energy: -17.915
Base-Backbone interact. energy: -0.000
local terms energy: -25.430894
where:
bonds (distance) C4'-P energy: -5.054
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.872
flat angles P-C4'-P energy: -3.828
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: 3, replica: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -42.125778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.125778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.125778 (E_RNA)
where:
Base-Base interactions energy: -19.226
where: short stacking energy: -19.226
Base-Backbone interact. energy: -0.030
local terms energy: -22.869605
where:
bonds (distance) C4'-P energy: -4.993
bonds (distance) P-C4' energy: -5.138
flat angles C4'-P-C4' energy: -5.990
flat angles P-C4'-P energy: -3.301
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -42.584277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.584277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.584277 (E_RNA)
where:
Base-Base interactions energy: -16.864
where: short stacking energy: -16.864
Base-Backbone interact. energy: -0.000
local terms energy: -25.720463
where:
bonds (distance) C4'-P energy: -6.023
bonds (distance) P-C4' energy: -6.420
flat angles C4'-P-C4' energy: -4.465
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: -4.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -42.928941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.928941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.928941 (E_RNA)
where:
Base-Base interactions energy: -17.717
where: short stacking energy: -17.717
Base-Backbone interact. energy: -0.000
local terms energy: -25.211774
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -5.833
flat angles C4'-P-C4' energy: -5.249
flat angles P-C4'-P energy: -4.226
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -40.510348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.510348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.510348 (E_RNA)
where:
Base-Base interactions energy: -14.947
where: short stacking energy: -14.947
Base-Backbone interact. energy: -0.000
local terms energy: -25.562990
where:
bonds (distance) C4'-P energy: -5.427
bonds (distance) P-C4' energy: -5.509
flat angles C4'-P-C4' energy: -5.305
flat angles P-C4'-P energy: -4.358
tors. eta vs tors. theta energy: -4.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -37.724465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.724465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.724465 (E_RNA)
where:
Base-Base interactions energy: -20.706
where: short stacking energy: -20.706
Base-Backbone interact. energy: -0.031
local terms energy: -16.987232
where:
bonds (distance) C4'-P energy: -2.968
bonds (distance) P-C4' energy: -4.165
flat angles C4'-P-C4' energy: -1.367
flat angles P-C4'-P energy: -5.010
tors. eta vs tors. theta energy: -3.477
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: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -38.731907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.731907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.731907 (E_RNA)
where:
Base-Base interactions energy: -17.661
where: short stacking energy: -17.661
Base-Backbone interact. energy: -0.000
local terms energy: -21.070561
where:
bonds (distance) C4'-P energy: -3.539
bonds (distance) P-C4' energy: -6.653
flat angles C4'-P-C4' energy: -4.505
flat angles P-C4'-P energy: -2.677
tors. eta vs tors. theta energy: -3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -37.721551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.721551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.721551 (E_RNA)
where:
Base-Base interactions energy: -17.651
where: short stacking energy: -17.651
Base-Backbone interact. energy: -0.031
local terms energy: -20.039177
where:
bonds (distance) C4'-P energy: -4.996
bonds (distance) P-C4' energy: -4.199
flat angles C4'-P-C4' energy: -3.064
flat angles P-C4'-P energy: -4.376
tors. eta vs tors. theta energy: -3.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -32.510500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.510500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.510500 (E_RNA)
where:
Base-Base interactions energy: -12.206
where: short stacking energy: -8.844
Base-Backbone interact. energy: -0.010
local terms energy: -20.294562
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -2.008
flat angles C4'-P-C4' energy: -5.760
flat angles P-C4'-P energy: -3.372
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -43.698776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.698776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.698776 (E_RNA)
where:
Base-Base interactions energy: -20.050
where: short stacking energy: -20.050
Base-Backbone interact. energy: -0.009
local terms energy: -23.639874
where:
bonds (distance) C4'-P energy: -4.487
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.022
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -47.084636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.084636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.084636 (E_RNA)
where:
Base-Base interactions energy: -20.238
where: short stacking energy: -20.238
Base-Backbone interact. energy: -0.000
local terms energy: -26.846532
where:
bonds (distance) C4'-P energy: -4.523
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -5.309
flat angles P-C4'-P energy: -3.779
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -43.945324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.945324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.945324 (E_RNA)
where:
Base-Base interactions energy: -17.795
where: short stacking energy: -17.795
Base-Backbone interact. energy: -0.000
local terms energy: -26.150435
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -5.822
flat angles P-C4'-P energy: -3.614
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -39.954549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.954549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.954549 (E_RNA)
where:
Base-Base interactions energy: -18.144
where: short stacking energy: -18.144
Base-Backbone interact. energy: -0.000
local terms energy: -21.810298
where:
bonds (distance) C4'-P energy: -3.965
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -4.610
flat angles P-C4'-P energy: -3.040
tors. eta vs tors. theta energy: -4.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -37.400340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.400340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.400340 (E_RNA)
where:
Base-Base interactions energy: -15.985
where: short stacking energy: -15.985
Base-Backbone interact. energy: -0.004
local terms energy: -21.411169
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -3.538
flat angles P-C4'-P energy: -4.671
tors. eta vs tors. theta energy: -2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -38.542911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.542911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.542911 (E_RNA)
where:
Base-Base interactions energy: -12.760
where: short stacking energy: -12.402
Base-Backbone interact. energy: -0.000
local terms energy: -25.782645
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.889
flat angles C4'-P-C4' energy: -5.830
flat angles P-C4'-P energy: -4.361
tors. eta vs tors. theta energy: -2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -39.152706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.152706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.152706 (E_RNA)
where:
Base-Base interactions energy: -12.807
where: short stacking energy: -12.807
Base-Backbone interact. energy: -0.050
local terms energy: -26.295265
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.329
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -3.728
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: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -37.226998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.226998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.226998 (E_RNA)
where:
Base-Base interactions energy: -17.529
where: short stacking energy: -8.603
Base-Backbone interact. energy: -0.081
local terms energy: -19.616958
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -4.605
flat angles P-C4'-P energy: -3.495
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: 9, replica: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -32.082180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.082180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.082180 (E_RNA)
where:
Base-Base interactions energy: -14.647
where: short stacking energy: -14.647
Base-Backbone interact. energy: -0.000
local terms energy: -17.434461
where:
bonds (distance) C4'-P energy: -2.020
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.508
flat angles P-C4'-P energy: -3.359
tors. eta vs tors. theta energy: -0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -32.364327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.364327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.364327 (E_RNA)
where:
Base-Base interactions energy: -12.297
where: short stacking energy: -12.297
Base-Backbone interact. energy: -0.033
local terms energy: -20.033730
where:
bonds (distance) C4'-P energy: -4.027
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -4.387
flat angles P-C4'-P energy: -3.474
tors. eta vs tors. theta energy: -3.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -53.163589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.163589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.163589 (E_RNA)
where:
Base-Base interactions energy: -23.242
where: short stacking energy: -21.278
Base-Backbone interact. energy: -0.000
local terms energy: -29.921367
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.800
flat angles P-C4'-P energy: -4.203
tors. eta vs tors. theta energy: -7.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -47.364043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.364043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.364043 (E_RNA)
where:
Base-Base interactions energy: -22.093
where: short stacking energy: -21.231
Base-Backbone interact. energy: -0.000
local terms energy: -25.270603
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -3.603
flat angles P-C4'-P energy: -2.724
tors. eta vs tors. theta energy: -5.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -42.809025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.809025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.809025 (E_RNA)
where:
Base-Base interactions energy: -18.448
where: short stacking energy: -18.448
Base-Backbone interact. energy: -0.000
local terms energy: -24.361165
where:
bonds (distance) C4'-P energy: -5.145
bonds (distance) P-C4' energy: -5.071
flat angles C4'-P-C4' energy: -5.415
flat angles P-C4'-P energy: -4.657
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: 4, replica: 7
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -35.698611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.698611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.698611 (E_RNA)
where:
Base-Base interactions energy: -17.819
where: short stacking energy: -5.832
Base-Backbone interact. energy: -0.105
local terms energy: -17.774807
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -5.642
flat angles P-C4'-P energy: -1.500
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: 5, replica: 3
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -33.850940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.850940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.850940 (E_RNA)
where:
Base-Base interactions energy: -12.439
where: short stacking energy: -12.439
Base-Backbone interact. energy: -0.000
local terms energy: -21.411624
where:
bonds (distance) C4'-P energy: -3.688
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -4.878
flat angles P-C4'-P energy: -3.355
tors. eta vs tors. theta energy: -3.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -34.335101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.335101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.335101 (E_RNA)
where:
Base-Base interactions energy: -15.574
where: short stacking energy: -15.574
Base-Backbone interact. energy: -0.075
local terms energy: -18.686400
where:
bonds (distance) C4'-P energy: -4.106
bonds (distance) P-C4' energy: -4.445
flat angles C4'-P-C4' energy: -4.015
flat angles P-C4'-P energy: -2.962
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: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -39.132757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.132757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.132757 (E_RNA)
where:
Base-Base interactions energy: -16.061
where: short stacking energy: -16.061
Base-Backbone interact. energy: -0.054
local terms energy: -23.017745
where:
bonds (distance) C4'-P energy: -3.910
bonds (distance) P-C4' energy: -5.491
flat angles C4'-P-C4' energy: -5.579
flat angles P-C4'-P energy: -3.099
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: 8, replica: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -42.587352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.587352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.587352 (E_RNA)
where:
Base-Base interactions energy: -17.062
where: short stacking energy: -17.062
Base-Backbone interact. energy: -0.000
local terms energy: -25.525022
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -3.748
flat angles C4'-P-C4' energy: -5.266
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -33.591367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.591367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.591367 (E_RNA)
where:
Base-Base interactions energy: -10.314
where: short stacking energy: -10.314
Base-Backbone interact. energy: -0.002
local terms energy: -23.275314
where:
bonds (distance) C4'-P energy: -4.682
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -5.539
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -35.049275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.049275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.049275 (E_RNA)
where:
Base-Base interactions energy: -12.837
where: short stacking energy: -12.837
Base-Backbone interact. energy: -0.000
local terms energy: -22.211880
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -5.729
flat angles P-C4'-P energy: -3.134
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -52.386978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.386978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.386978 (E_RNA)
where:
Base-Base interactions energy: -23.227
where: short stacking energy: -23.227
Base-Backbone interact. energy: -0.000
local terms energy: -29.160102
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -4.091
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -7.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -49.832579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.832579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.832579 (E_RNA)
where:
Base-Base interactions energy: -20.893
where: short stacking energy: -20.893
Base-Backbone interact. energy: -0.023
local terms energy: -28.916846
where:
bonds (distance) C4'-P energy: -5.589
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.794
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -42.361195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.361195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.361195 (E_RNA)
where:
Base-Base interactions energy: -18.402
where: short stacking energy: -18.402
Base-Backbone interact. energy: -0.002
local terms energy: -23.957737
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.393
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -2.400
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: 370
Temperature: 1.050000
Total energy: -44.311869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.311869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.311869 (E_RNA)
where:
Base-Base interactions energy: -15.814
where: short stacking energy: -15.814
Base-Backbone interact. energy: -0.000
local terms energy: -28.497354
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -6.607
flat angles P-C4'-P energy: -3.043
tors. eta vs tors. theta energy: -6.302
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: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -40.343437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.343437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.343437 (E_RNA)
where:
Base-Base interactions energy: -15.118
where: short stacking energy: -15.118
Base-Backbone interact. energy: -0.000
local terms energy: -25.225426
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.993
flat angles P-C4'-P energy: -4.354
tors. eta vs tors. theta energy: -2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -35.468437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.468437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.468437 (E_RNA)
where:
Base-Base interactions energy: -14.557
where: short stacking energy: -14.557
Base-Backbone interact. energy: -0.000
local terms energy: -20.911168
where:
bonds (distance) C4'-P energy: -4.135
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -4.460
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -1.641
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: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -43.182372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.182372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.182372 (E_RNA)
where:
Base-Base interactions energy: -21.323
where: short stacking energy: -21.323
Base-Backbone interact. energy: -0.000
local terms energy: -21.859019
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -5.833
flat angles C4'-P-C4' energy: -2.172
flat angles P-C4'-P energy: -3.383
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: 5
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -39.317295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.317295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.317295 (E_RNA)
where:
Base-Base interactions energy: -20.539
where: short stacking energy: -13.094
Base-Backbone interact. energy: -0.005
local terms energy: -18.773114
where:
bonds (distance) C4'-P energy: -5.055
bonds (distance) P-C4' energy: -5.767
flat angles C4'-P-C4' energy: -4.298
flat angles P-C4'-P energy: -1.654
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -33.778040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.778040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.778040 (E_RNA)
where:
Base-Base interactions energy: -12.662
where: short stacking energy: -12.662
Base-Backbone interact. energy: -0.049
local terms energy: -21.067014
where:
bonds (distance) C4'-P energy: -4.496
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -4.575
flat angles P-C4'-P energy: -3.774
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -31.039399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.039399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.039399 (E_RNA)
where:
Base-Base interactions energy: -10.155
where: short stacking energy: -10.155
Base-Backbone interact. energy: -0.005
local terms energy: -20.879914
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -6.122
flat angles C4'-P-C4' energy: -4.437
flat angles P-C4'-P energy: -3.637
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: 1, replica: 9
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -50.876477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.876477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.876477 (E_RNA)
where:
Base-Base interactions energy: -23.233
where: short stacking energy: -23.233
Base-Backbone interact. energy: -0.000
local terms energy: -27.643767
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -5.699
flat angles C4'-P-C4' energy: -5.956
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -5.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -45.590639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.590639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.590639 (E_RNA)
where:
Base-Base interactions energy: -17.700
where: short stacking energy: -17.700
Base-Backbone interact. energy: -0.000
local terms energy: -27.889910
where:
bonds (distance) C4'-P energy: -5.253
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.097
flat angles P-C4'-P energy: -3.740
tors. eta vs tors. theta energy: -5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -44.817178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.817178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.817178 (E_RNA)
where:
Base-Base interactions energy: -21.272
where: short stacking energy: -21.272
Base-Backbone interact. energy: -0.015
local terms energy: -23.531088
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -4.460
flat angles C4'-P-C4' energy: -5.175
flat angles P-C4'-P energy: -4.285
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -47.458343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.458343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.458343 (E_RNA)
where:
Base-Base interactions energy: -20.925
where: short stacking energy: -20.925
Base-Backbone interact. energy: -0.000
local terms energy: -26.533136
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -6.288
flat angles P-C4'-P energy: -2.312
tors. eta vs tors. theta energy: -6.943
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: 7
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -43.548729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.548729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.548729 (E_RNA)
where:
Base-Base interactions energy: -19.469
where: short stacking energy: -19.469
Base-Backbone interact. energy: -0.001
local terms energy: -24.078324
where:
bonds (distance) C4'-P energy: -4.019
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -6.061
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -41.120967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.120967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.120967 (E_RNA)
where:
Base-Base interactions energy: -17.365
where: short stacking energy: -17.365
Base-Backbone interact. energy: -0.001
local terms energy: -23.755066
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.864
flat angles P-C4'-P energy: -4.731
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: 7, replica: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -34.676149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.676149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.676149 (E_RNA)
where:
Base-Base interactions energy: -12.293
where: short stacking energy: -12.293
Base-Backbone interact. energy: -0.073
local terms energy: -22.310895
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -5.018
flat angles C4'-P-C4' energy: -4.525
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -36.836028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.836028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.836028 (E_RNA)
where:
Base-Base interactions energy: -15.781
where: short stacking energy: -15.781
Base-Backbone interact. energy: -0.000
local terms energy: -21.055145
where:
bonds (distance) C4'-P energy: -2.960
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -6.471
flat angles P-C4'-P energy: -0.990
tors. eta vs tors. theta energy: -4.224
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: 5
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -33.223827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.223827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.223827 (E_RNA)
where:
Base-Base interactions energy: -10.688
where: short stacking energy: -10.688
Base-Backbone interact. energy: -0.073
local terms energy: -22.462666
where:
bonds (distance) C4'-P energy: -4.719
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -5.694
flat angles P-C4'-P energy: -3.991
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: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -33.191933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.191933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.191933 (E_RNA)
where:
Base-Base interactions energy: -9.801
where: short stacking energy: -9.801
Base-Backbone interact. energy: -0.035
local terms energy: -23.356288
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -4.940
flat angles P-C4'-P energy: -4.923
tors. eta vs tors. theta energy: -1.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -53.714449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.714449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.714449 (E_RNA)
where:
Base-Base interactions energy: -25.192
where: short stacking energy: -25.192
Base-Backbone interact. energy: -0.000
local terms energy: -28.522718
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.202
flat angles P-C4'-P energy: -2.736
tors. eta vs tors. theta energy: -6.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -52.041915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.041915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.041915 (E_RNA)
where:
Base-Base interactions energy: -29.826
where: short stacking energy: -15.043
Base-Backbone interact. energy: 0.102
local terms energy: -22.317308
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.737
flat angles P-C4'-P energy: -1.337
tors. eta vs tors. theta energy: -2.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -37.585780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.585780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.585780 (E_RNA)
where:
Base-Base interactions energy: -17.022
where: short stacking energy: -17.022
Base-Backbone interact. energy: -0.050
local terms energy: -20.513582
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.764
flat angles P-C4'-P energy: -1.567
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: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -35.807059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.807059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.807059 (E_RNA)
where:
Base-Base interactions energy: -13.772
where: short stacking energy: -13.772
Base-Backbone interact. energy: -0.000
local terms energy: -22.034943
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.110
flat angles C4'-P-C4' energy: -4.665
flat angles P-C4'-P energy: -3.836
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -40.323896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.323896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.323896 (E_RNA)
where:
Base-Base interactions energy: -21.655
where: short stacking energy: -21.655
Base-Backbone interact. energy: -0.000
local terms energy: -18.669059
where:
bonds (distance) C4'-P energy: 0.711
bonds (distance) P-C4' energy: -4.821
flat angles C4'-P-C4' energy: -5.322
flat angles P-C4'-P energy: -4.207
tors. eta vs tors. theta energy: -5.031
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: 7
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -41.494937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.494937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.494937 (E_RNA)
where:
Base-Base interactions energy: -25.949
where: short stacking energy: -12.732
Base-Backbone interact. energy: -0.337
local terms energy: -15.208743
where:
bonds (distance) C4'-P energy: -0.235
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -4.230
flat angles P-C4'-P energy: -4.169
tors. eta vs tors. theta energy: 0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -34.254327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.254327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.254327 (E_RNA)
where:
Base-Base interactions energy: -10.041
where: short stacking energy: -10.041
Base-Backbone interact. energy: -0.000
local terms energy: -24.212934
where:
bonds (distance) C4'-P energy: -3.299
bonds (distance) P-C4' energy: -5.509
flat angles C4'-P-C4' energy: -6.470
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -29.839695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.839695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.839695 (E_RNA)
where:
Base-Base interactions energy: -9.749
where: short stacking energy: -9.749
Base-Backbone interact. energy: 1.382
local terms energy: -21.472394
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.420
flat angles P-C4'-P energy: -0.916
tors. eta vs tors. theta energy: -1.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -38.635462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.635462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.635462 (E_RNA)
where:
Base-Base interactions energy: -21.900
where: short stacking energy: -14.295
Base-Backbone interact. energy: -0.001
local terms energy: -16.734563
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -4.194
flat angles C4'-P-C4' energy: -5.146
flat angles P-C4'-P energy: 0.335
tors. eta vs tors. theta energy: -2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -35.979603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.979603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.979603 (E_RNA)
where:
Base-Base interactions energy: -15.338
where: short stacking energy: -15.338
Base-Backbone interact. energy: 0.327
local terms energy: -20.968107
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.362
flat angles P-C4'-P energy: -3.299
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -45.221704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.221704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.221704 (E_RNA)
where:
Base-Base interactions energy: -17.097
where: short stacking energy: -17.097
Base-Backbone interact. energy: -0.000
local terms energy: -28.125034
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -6.490
flat angles P-C4'-P energy: -4.218
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: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -49.819465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.819465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.819465 (E_RNA)
where:
Base-Base interactions energy: -20.568
where: short stacking energy: -20.568
Base-Backbone interact. energy: -0.000
local terms energy: -29.251748
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.153
flat angles C4'-P-C4' energy: -5.152
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -7.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -44.394842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.394842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.394842 (E_RNA)
where:
Base-Base interactions energy: -20.618
where: short stacking energy: -20.618
Base-Backbone interact. energy: -0.000
local terms energy: -23.777228
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -5.728
flat angles P-C4'-P energy: -2.761
tors. eta vs tors. theta energy: -4.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -45.804564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.804564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.804564 (E_RNA)
where:
Base-Base interactions energy: -19.610
where: short stacking energy: -19.610
Base-Backbone interact. energy: -0.018
local terms energy: -26.176581
where:
bonds (distance) C4'-P energy: -4.868
bonds (distance) P-C4' energy: -6.153
flat angles C4'-P-C4' energy: -5.987
flat angles P-C4'-P energy: -4.462
tors. eta vs tors. theta energy: -4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -44.634781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.634781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.634781 (E_RNA)
where:
Base-Base interactions energy: -22.859
where: short stacking energy: -10.006
Base-Backbone interact. energy: -1.183
local terms energy: -20.592680
where:
bonds (distance) C4'-P energy: -3.361
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -4.262
flat angles P-C4'-P energy: -2.582
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: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -39.505415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.505415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.505415 (E_RNA)
where:
Base-Base interactions energy: -17.281
where: short stacking energy: -17.281
Base-Backbone interact. energy: -0.012
local terms energy: -22.211742
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.737
flat angles P-C4'-P energy: -2.949
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: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -31.940602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.940602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.940602 (E_RNA)
where:
Base-Base interactions energy: -13.536
where: short stacking energy: -13.536
Base-Backbone interact. energy: -0.042
local terms energy: -18.362155
where:
bonds (distance) C4'-P energy: -4.346
bonds (distance) P-C4' energy: -4.896
flat angles C4'-P-C4' energy: -4.685
flat angles P-C4'-P energy: -3.940
tors. eta vs tors. theta energy: -0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -35.394416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.394416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.394416 (E_RNA)
where:
Base-Base interactions energy: -12.645
where: short stacking energy: -12.645
Base-Backbone interact. energy: -0.000
local terms energy: -22.749026
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -6.364
flat angles C4'-P-C4' energy: -5.635
flat angles P-C4'-P energy: -3.200
tors. eta vs tors. theta energy: -1.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -29.637822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.637822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.637822 (E_RNA)
where:
Base-Base interactions energy: -7.624
where: short stacking energy: -7.624
Base-Backbone interact. energy: -0.000
local terms energy: -22.013476
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -5.347
flat angles P-C4'-P energy: -2.895
tors. eta vs tors. theta energy: -2.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -34.938018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.938018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.938018 (E_RNA)
where:
Base-Base interactions energy: -17.170
where: short stacking energy: -17.170
Base-Backbone interact. energy: -0.000
local terms energy: -17.768426
where:
bonds (distance) C4'-P energy: -4.126
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -1.886
flat angles P-C4'-P energy: -3.398
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: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -48.007002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.007002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.007002 (E_RNA)
where:
Base-Base interactions energy: -21.196
where: short stacking energy: -21.196
Base-Backbone interact. energy: -0.000
local terms energy: -26.810681
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.678
flat angles C4'-P-C4' energy: -5.566
flat angles P-C4'-P energy: -2.884
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -44.841658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.841658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.841658 (E_RNA)
where:
Base-Base interactions energy: -23.573
where: short stacking energy: -18.981
Base-Backbone interact. energy: -0.010
local terms energy: -21.258431
where:
bonds (distance) C4'-P energy: -5.117
bonds (distance) P-C4' energy: -5.886
flat angles C4'-P-C4' energy: -4.246
flat angles P-C4'-P energy: -2.471
tors. eta vs tors. theta energy: -3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -47.159205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.159205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.159205 (E_RNA)
where:
Base-Base interactions energy: -17.912
where: short stacking energy: -17.912
Base-Backbone interact. energy: -0.000
local terms energy: -29.247389
where:
bonds (distance) C4'-P energy: -4.761
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -4.014
tors. eta vs tors. theta energy: -6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -40.367269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.367269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.367269 (E_RNA)
where:
Base-Base interactions energy: -18.171
where: short stacking energy: -18.171
Base-Backbone interact. energy: -0.028
local terms energy: -22.168967
where:
bonds (distance) C4'-P energy: -4.665
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -4.704
flat angles P-C4'-P energy: -4.123
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: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -32.567082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.567082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.567082 (E_RNA)
where:
Base-Base interactions energy: -12.521
where: short stacking energy: -12.521
Base-Backbone interact. energy: -0.098
local terms energy: -19.948083
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -5.286
flat angles P-C4'-P energy: -4.262
tors. eta vs tors. theta energy: 0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -39.560503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.560503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.560503 (E_RNA)
where:
Base-Base interactions energy: -14.593
where: short stacking energy: -14.593
Base-Backbone interact. energy: -0.003
local terms energy: -24.965266
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -4.936
flat angles P-C4'-P energy: -2.002
tors. eta vs tors. theta energy: -5.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -36.801954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.801954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.801954 (E_RNA)
where:
Base-Base interactions energy: -16.042
where: short stacking energy: -16.042
Base-Backbone interact. energy: -0.001
local terms energy: -20.759492
where:
bonds (distance) C4'-P energy: -6.586
bonds (distance) P-C4' energy: -4.659
flat angles C4'-P-C4' energy: -4.599
flat angles P-C4'-P energy: -4.202
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: 8, replica: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -31.938354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.938354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.938354 (E_RNA)
where:
Base-Base interactions energy: -9.813
where: short stacking energy: -9.743
Base-Backbone interact. energy: -0.001
local terms energy: -22.124531
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -4.428
flat angles C4'-P-C4' energy: -6.223
flat angles P-C4'-P energy: -3.891
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -33.976778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.976778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.976778 (E_RNA)
where:
Base-Base interactions energy: -12.935
where: short stacking energy: -12.935
Base-Backbone interact. energy: -0.000
local terms energy: -21.041830
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -3.705
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: -0.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -35.302404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.302404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.302404 (E_RNA)
where:
Base-Base interactions energy: -17.321
where: short stacking energy: -8.814
Base-Backbone interact. energy: -0.001
local terms energy: -17.980370
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -5.699
flat angles C4'-P-C4' energy: -3.784
flat angles P-C4'-P energy: -2.689
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -46.152073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.152073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.152073 (E_RNA)
where:
Base-Base interactions energy: -20.836
where: short stacking energy: -20.836
Base-Backbone interact. energy: -0.005
local terms energy: -25.310765
where:
bonds (distance) C4'-P energy: -5.287
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.508
flat angles P-C4'-P energy: -2.985
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: 2, replica: 3
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -53.828560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.828560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.828560 (E_RNA)
where:
Base-Base interactions energy: -25.729
where: short stacking energy: -25.729
Base-Backbone interact. energy: -0.000
local terms energy: -28.099326
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -4.827
flat angles P-C4'-P energy: -3.866
tors. eta vs tors. theta energy: -7.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -39.770845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.770845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.770845 (E_RNA)
where:
Base-Base interactions energy: -18.927
where: short stacking energy: -9.001
Base-Backbone interact. energy: -0.175
local terms energy: -20.667990
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -5.844
flat angles P-C4'-P energy: -1.293
tors. eta vs tors. theta energy: -1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -46.184486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.184486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.184486 (E_RNA)
where:
Base-Base interactions energy: -20.884
where: short stacking energy: -20.884
Base-Backbone interact. energy: -0.000
local terms energy: -25.300779
where:
bonds (distance) C4'-P energy: -3.792
bonds (distance) P-C4' energy: -5.058
flat angles C4'-P-C4' energy: -6.535
flat angles P-C4'-P energy: -4.261
tors. eta vs tors. theta energy: -5.655
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: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -41.741063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.741063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.741063 (E_RNA)
where:
Base-Base interactions energy: -17.115
where: short stacking energy: -14.643
Base-Backbone interact. energy: -0.001
local terms energy: -24.625367
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.260
flat angles P-C4'-P energy: -4.760
tors. eta vs tors. theta energy: -3.283
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: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -37.349552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.349552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.349552 (E_RNA)
where:
Base-Base interactions energy: -14.312
where: short stacking energy: -14.312
Base-Backbone interact. energy: -0.102
local terms energy: -22.935391
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.306
flat angles P-C4'-P energy: -4.186
tors. eta vs tors. theta energy: -1.391
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: 4
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -37.668795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.668795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.668795 (E_RNA)
where:
Base-Base interactions energy: -14.532
where: short stacking energy: -11.496
Base-Backbone interact. energy: -0.000
local terms energy: -23.136560
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.434
flat angles P-C4'-P energy: -3.638
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: 8, replica: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -44.944848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.944848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.944848 (E_RNA)
where:
Base-Base interactions energy: -21.875
where: short stacking energy: -12.346
Base-Backbone interact. energy: -0.047
local terms energy: -23.022385
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -5.833
flat angles C4'-P-C4' energy: -5.765
flat angles P-C4'-P energy: -2.760
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: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -33.792123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.792123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.792123 (E_RNA)
where:
Base-Base interactions energy: -14.426
where: short stacking energy: -14.426
Base-Backbone interact. energy: -0.078
local terms energy: -19.287774
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -3.252
flat angles P-C4'-P energy: -3.228
tors. eta vs tors. theta energy: -0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -31.132663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.132663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.132663 (E_RNA)
where:
Base-Base interactions energy: -9.416
where: short stacking energy: -7.875
Base-Backbone interact. energy: -0.150
local terms energy: -21.566581
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -6.295
flat angles P-C4'-P energy: -3.411
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: 1, replica: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -44.042065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.042065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.042065 (E_RNA)
where:
Base-Base interactions energy: -21.440
where: short stacking energy: -21.440
Base-Backbone interact. energy: -0.000
local terms energy: -22.602400
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.208
flat angles C4'-P-C4' energy: -4.880
flat angles P-C4'-P energy: -2.698
tors. eta vs tors. theta energy: -3.595
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: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -42.101726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.101726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.101726 (E_RNA)
where:
Base-Base interactions energy: -14.982
where: short stacking energy: -14.982
Base-Backbone interact. energy: -0.012
local terms energy: -27.106979
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -4.443
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: -5.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -47.060123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.060123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.060123 (E_RNA)
where:
Base-Base interactions energy: -22.789
where: short stacking energy: -22.789
Base-Backbone interact. energy: -0.000
local terms energy: -24.271133
where:
bonds (distance) C4'-P energy: -4.014
bonds (distance) P-C4' energy: -4.990
flat angles C4'-P-C4' energy: -5.682
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: -5.940
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: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -47.007239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.007239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.007239 (E_RNA)
where:
Base-Base interactions energy: -21.275
where: short stacking energy: -21.275
Base-Backbone interact. energy: -0.011
local terms energy: -25.721690
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.927
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: -3.908
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: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -40.745141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.745141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.745141 (E_RNA)
where:
Base-Base interactions energy: -13.616
where: short stacking energy: -13.616
Base-Backbone interact. energy: -0.127
local terms energy: -27.001400
where:
bonds (distance) C4'-P energy: -4.570
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.376
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -4.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -37.705694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.705694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.705694 (E_RNA)
where:
Base-Base interactions energy: -16.580
where: short stacking energy: -13.488
Base-Backbone interact. energy: -0.097
local terms energy: -21.028564
where:
bonds (distance) C4'-P energy: -5.096
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -4.115
tors. eta vs tors. theta energy: -0.828
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: 1
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -40.494956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.494956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.494956 (E_RNA)
where:
Base-Base interactions energy: -23.610
where: short stacking energy: -14.579
Base-Backbone interact. energy: 0.760
local terms energy: -17.644652
where:
bonds (distance) C4'-P energy: -3.005
bonds (distance) P-C4' energy: -3.907
flat angles C4'-P-C4' energy: -5.561
flat angles P-C4'-P energy: -2.720
tors. eta vs tors. theta energy: -2.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -33.996661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.996661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.996661 (E_RNA)
where:
Base-Base interactions energy: -12.661
where: short stacking energy: -12.661
Base-Backbone interact. energy: -0.000
local terms energy: -21.335962
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -3.099
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -33.324114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.324114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.324114 (E_RNA)
where:
Base-Base interactions energy: -9.390
where: short stacking energy: -9.390
Base-Backbone interact. energy: -0.005
local terms energy: -23.929372
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -6.170
flat angles P-C4'-P energy: -3.017
tors. eta vs tors. theta energy: -2.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -30.564694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.564694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.564694 (E_RNA)
where:
Base-Base interactions energy: -11.185
where: short stacking energy: -11.185
Base-Backbone interact. energy: -0.006
local terms energy: -19.373859
where:
bonds (distance) C4'-P energy: -3.717
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -2.167
flat angles P-C4'-P energy: -4.474
tors. eta vs tors. theta energy: -2.345
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: 377
Temperature: 0.900000
Total energy: -47.650255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.650255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.650255 (E_RNA)
where:
Base-Base interactions energy: -21.747
where: short stacking energy: -17.338
Base-Backbone interact. energy: -0.001
local terms energy: -25.902249
where:
bonds (distance) C4'-P energy: -4.330
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.802
flat angles P-C4'-P energy: -4.313
tors. eta vs tors. theta energy: -4.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -53.897850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.897850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.897850 (E_RNA)
where:
Base-Base interactions energy: -31.362
where: short stacking energy: -18.882
Base-Backbone interact. energy: -0.019
local terms energy: -22.516192
where:
bonds (distance) C4'-P energy: -5.365
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -5.836
flat angles P-C4'-P energy: -3.435
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -44.070725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.070725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.070725 (E_RNA)
where:
Base-Base interactions energy: -18.852
where: short stacking energy: -18.852
Base-Backbone interact. energy: -0.000
local terms energy: -25.219011
where:
bonds (distance) C4'-P energy: -4.815
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -6.328
flat angles P-C4'-P energy: -3.675
tors. eta vs tors. theta energy: -4.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -42.021534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.021534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.021534 (E_RNA)
where:
Base-Base interactions energy: -19.655
where: short stacking energy: -19.655
Base-Backbone interact. energy: -0.000
local terms energy: -22.366493
where:
bonds (distance) C4'-P energy: -4.230
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -0.669
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -39.720951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.720951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.720951 (E_RNA)
where:
Base-Base interactions energy: -14.158
where: short stacking energy: -14.158
Base-Backbone interact. energy: -0.000
local terms energy: -25.563096
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -2.658
flat angles P-C4'-P energy: -4.386
tors. eta vs tors. theta energy: -5.617
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: 377
Temperature: 1.150000
Total energy: -40.650672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.650672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.650672 (E_RNA)
where:
Base-Base interactions energy: -18.218
where: short stacking energy: -18.218
Base-Backbone interact. energy: -0.000
local terms energy: -22.432631
where:
bonds (distance) C4'-P energy: -3.565
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -5.412
flat angles P-C4'-P energy: -3.538
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -41.443831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.443831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.443831 (E_RNA)
where:
Base-Base interactions energy: -17.871
where: short stacking energy: -17.871
Base-Backbone interact. energy: -0.000
local terms energy: -23.572618
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -3.539
flat angles P-C4'-P energy: -3.104
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: 8, replica: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -33.501308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.501308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.501308 (E_RNA)
where:
Base-Base interactions energy: -16.491
where: short stacking energy: -4.775
Base-Backbone interact. energy: -0.118
local terms energy: -16.892892
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -4.849
flat angles C4'-P-C4' energy: -4.537
flat angles P-C4'-P energy: -2.136
tors. eta vs tors. theta energy: 0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -33.791447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.791447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.791447 (E_RNA)
where:
Base-Base interactions energy: -11.476
where: short stacking energy: -10.162
Base-Backbone interact. energy: -0.399
local terms energy: -21.916619
where:
bonds (distance) C4'-P energy: -4.027
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.484
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -28.539004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.539004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.539004 (E_RNA)
where:
Base-Base interactions energy: -9.713
where: short stacking energy: -7.931
Base-Backbone interact. energy: -1.579
local terms energy: -17.246972
where:
bonds (distance) C4'-P energy: -5.953
bonds (distance) P-C4' energy: -5.330
flat angles C4'-P-C4' energy: -2.416
flat angles P-C4'-P energy: -2.901
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: 6
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -45.954176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.954176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.954176 (E_RNA)
where:
Base-Base interactions energy: -19.034
where: short stacking energy: -19.034
Base-Backbone interact. energy: -0.001
local terms energy: -26.919446
where:
bonds (distance) C4'-P energy: -4.639
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -5.346
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -4.812
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: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -41.385709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.385709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.385709 (E_RNA)
where:
Base-Base interactions energy: -17.045
where: short stacking energy: -17.045
Base-Backbone interact. energy: -0.544
local terms energy: -23.796647
where:
bonds (distance) C4'-P energy: -5.278
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -6.550
flat angles P-C4'-P energy: -2.990
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -42.044052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.044052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.044052 (E_RNA)
where:
Base-Base interactions energy: -16.077
where: short stacking energy: -16.077
Base-Backbone interact. energy: -0.000
local terms energy: -25.967333
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -6.782
flat angles P-C4'-P energy: -3.109
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -45.980450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.980450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.980450 (E_RNA)
where:
Base-Base interactions energy: -21.066
where: short stacking energy: -21.066
Base-Backbone interact. energy: -0.000
local terms energy: -24.914093
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -5.575
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -4.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -44.461370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.461370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.461370 (E_RNA)
where:
Base-Base interactions energy: -19.469
where: short stacking energy: -16.823
Base-Backbone interact. energy: -0.044
local terms energy: -24.948909
where:
bonds (distance) C4'-P energy: -4.409
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -6.165
flat angles P-C4'-P energy: -3.844
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: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -39.771432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.771432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.771432 (E_RNA)
where:
Base-Base interactions energy: -20.270
where: short stacking energy: -11.585
Base-Backbone interact. energy: -0.163
local terms energy: -19.338953
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -2.839
flat angles P-C4'-P energy: -3.584
tors. eta vs tors. theta energy: -0.299
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: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -44.416341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.416341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.416341 (E_RNA)
where:
Base-Base interactions energy: -17.051
where: short stacking energy: -17.051
Base-Backbone interact. energy: -0.001
local terms energy: -27.364505
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.175
flat angles P-C4'-P energy: -4.553
tors. eta vs tors. theta energy: -4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -35.020182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.020182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.020182 (E_RNA)
where:
Base-Base interactions energy: -12.758
where: short stacking energy: -12.758
Base-Backbone interact. energy: -0.029
local terms energy: -22.233580
where:
bonds (distance) C4'-P energy: -4.230
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.432
flat angles P-C4'-P energy: -2.691
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: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -29.452930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.452930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.452930 (E_RNA)
where:
Base-Base interactions energy: -9.797
where: short stacking energy: -9.797
Base-Backbone interact. energy: -0.023
local terms energy: -19.632945
where:
bonds (distance) C4'-P energy: -3.866
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -4.688
flat angles P-C4'-P energy: -4.755
tors. eta vs tors. theta energy: -0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -34.735327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.735327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.735327 (E_RNA)
where:
Base-Base interactions energy: -15.685
where: short stacking energy: -15.685
Base-Backbone interact. energy: -0.001
local terms energy: -19.049456
where:
bonds (distance) C4'-P energy: -2.305
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -6.290
flat angles P-C4'-P energy: -4.220
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: 1, replica: 6
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -51.841531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.841531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.841531 (E_RNA)
where:
Base-Base interactions energy: -25.779
where: short stacking energy: -15.344
Base-Backbone interact. energy: -0.004
local terms energy: -26.058724
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.826
flat angles P-C4'-P energy: -4.842
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: 2, replica: 9
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -40.039024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.039024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.039024 (E_RNA)
where:
Base-Base interactions energy: -16.236
where: short stacking energy: -16.236
Base-Backbone interact. energy: -0.000
local terms energy: -23.802238
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.037
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -35.547043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.547043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.547043 (E_RNA)
where:
Base-Base interactions energy: -16.571
where: short stacking energy: -9.329
Base-Backbone interact. energy: 0.073
local terms energy: -19.049767
where:
bonds (distance) C4'-P energy: -4.230
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -1.811
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -1.773
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: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -51.652979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.652979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.652979 (E_RNA)
where:
Base-Base interactions energy: -27.774
where: short stacking energy: -15.029
Base-Backbone interact. energy: -0.012
local terms energy: -23.867669
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -6.221
flat angles P-C4'-P energy: -0.696
tors. eta vs tors. theta energy: -4.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -38.357933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.357933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.357933 (E_RNA)
where:
Base-Base interactions energy: -15.813
where: short stacking energy: -15.813
Base-Backbone interact. energy: -0.005
local terms energy: -22.540711
where:
bonds (distance) C4'-P energy: -4.288
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -5.243
flat angles P-C4'-P energy: -3.604
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -39.040428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.040428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.040428 (E_RNA)
where:
Base-Base interactions energy: -17.435
where: short stacking energy: -17.435
Base-Backbone interact. energy: -0.000
local terms energy: -21.605447
where:
bonds (distance) C4'-P energy: -5.891
bonds (distance) P-C4' energy: -6.100
flat angles C4'-P-C4' energy: -2.771
flat angles P-C4'-P energy: -3.040
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -43.605525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.605525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.605525 (E_RNA)
where:
Base-Base interactions energy: -23.453
where: short stacking energy: -10.025
Base-Backbone interact. energy: -0.008
local terms energy: -20.144475
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -4.621
flat angles C4'-P-C4' energy: -5.616
flat angles P-C4'-P energy: -3.477
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: 8, replica: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -41.205680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.205680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.205680 (E_RNA)
where:
Base-Base interactions energy: -18.982
where: short stacking energy: -18.982
Base-Backbone interact. energy: -0.001
local terms energy: -22.222934
where:
bonds (distance) C4'-P energy: -4.495
bonds (distance) P-C4' energy: -5.157
flat angles C4'-P-C4' energy: -4.812
flat angles P-C4'-P energy: -2.843
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: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -31.664599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.664599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.664599 (E_RNA)
where:
Base-Base interactions energy: -11.042
where: short stacking energy: -8.935
Base-Backbone interact. energy: -0.000
local terms energy: -20.622008
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -4.854
flat angles C4'-P-C4' energy: -5.005
flat angles P-C4'-P energy: -2.352
tors. eta vs tors. theta energy: -2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -32.137118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.137118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.137118 (E_RNA)
where:
Base-Base interactions energy: -11.891
where: short stacking energy: -11.891
Base-Backbone interact. energy: -0.090
local terms energy: -20.156019
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -4.725
flat angles P-C4'-P energy: -2.153
tors. eta vs tors. theta energy: -0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -57.182627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.182627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.182627 (E_RNA)
where:
Base-Base interactions energy: -25.625
where: short stacking energy: -25.625
Base-Backbone interact. energy: -0.000
local terms energy: -31.557668
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -6.398
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -7.919
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: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -48.670382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.670382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.670382 (E_RNA)
where:
Base-Base interactions energy: -22.464
where: short stacking energy: -22.464
Base-Backbone interact. energy: -0.000
local terms energy: -26.206622
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -6.050
flat angles P-C4'-P energy: -2.065
tors. eta vs tors. theta energy: -5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -38.990459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.990459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.990459 (E_RNA)
where:
Base-Base interactions energy: -16.672
where: short stacking energy: -16.672
Base-Backbone interact. energy: -0.089
local terms energy: -22.228776
where:
bonds (distance) C4'-P energy: -5.179
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -5.155
flat angles P-C4'-P energy: -3.253
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: 4, replica: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -44.523594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.523594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.523594 (E_RNA)
where:
Base-Base interactions energy: -21.031
where: short stacking energy: -21.031
Base-Backbone interact. energy: -0.000
local terms energy: -23.492424
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -3.939
flat angles P-C4'-P energy: -3.030
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: 5, replica: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -37.380148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.380148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.380148 (E_RNA)
where:
Base-Base interactions energy: -13.308
where: short stacking energy: -13.308
Base-Backbone interact. energy: -0.134
local terms energy: -23.937970
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -5.457
flat angles P-C4'-P energy: -4.472
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -42.397903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.397903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.397903 (E_RNA)
where:
Base-Base interactions energy: -19.800
where: short stacking energy: -19.800
Base-Backbone interact. energy: -0.000
local terms energy: -22.598160
where:
bonds (distance) C4'-P energy: -4.089
bonds (distance) P-C4' energy: -3.657
flat angles C4'-P-C4' energy: -5.926
flat angles P-C4'-P energy: -3.686
tors. eta vs tors. theta energy: -5.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -40.091307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.091307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.091307 (E_RNA)
where:
Base-Base interactions energy: -13.005
where: short stacking energy: -13.005
Base-Backbone interact. energy: -0.002
local terms energy: -27.084260
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -5.681
flat angles C4'-P-C4' energy: -5.976
flat angles P-C4'-P energy: -4.275
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -36.975659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.975659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.975659 (E_RNA)
where:
Base-Base interactions energy: -13.663
where: short stacking energy: -13.663
Base-Backbone interact. energy: -0.002
local terms energy: -23.310421
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -4.139
flat angles P-C4'-P energy: -2.971
tors. eta vs tors. theta energy: -3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -31.644812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.644812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.644812 (E_RNA)
where:
Base-Base interactions energy: -11.190
where: short stacking energy: -11.190
Base-Backbone interact. energy: -0.028
local terms energy: -20.426212
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -5.699
flat angles C4'-P-C4' energy: -4.741
flat angles P-C4'-P energy: -3.179
tors. eta vs tors. theta energy: -1.911
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: 10, replica: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -32.894366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.894366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.894366 (E_RNA)
where:
Base-Base interactions energy: -15.500
where: short stacking energy: -11.473
Base-Backbone interact. energy: -0.004
local terms energy: -17.390392
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -2.652
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: 1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -53.629821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.629821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.629821 (E_RNA)
where:
Base-Base interactions energy: -26.432
where: short stacking energy: -26.432
Base-Backbone interact. energy: -0.000
local terms energy: -27.198019
where:
bonds (distance) C4'-P energy: -5.543
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.548
flat angles P-C4'-P energy: -3.005
tors. eta vs tors. theta energy: -6.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -52.073535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.073535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.073535 (E_RNA)
where:
Base-Base interactions energy: -24.329
where: short stacking energy: -24.329
Base-Backbone interact. energy: -0.000
local terms energy: -27.744187
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -6.681
flat angles C4'-P-C4' energy: -5.448
flat angles P-C4'-P energy: -3.539
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: 3, replica: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -49.442766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.442766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.442766 (E_RNA)
where:
Base-Base interactions energy: -27.594
where: short stacking energy: -13.712
Base-Backbone interact. energy: -0.038
local terms energy: -21.811191
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -5.327
flat angles C4'-P-C4' energy: -5.428
flat angles P-C4'-P energy: -4.233
tors. eta vs tors. theta energy: -1.305
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: 4, replica: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -48.398783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.398783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.398783 (E_RNA)
where:
Base-Base interactions energy: -27.105
where: short stacking energy: -13.642
Base-Backbone interact. energy: -0.034
local terms energy: -21.259653
where:
bonds (distance) C4'-P energy: -5.527
bonds (distance) P-C4' energy: -4.647
flat angles C4'-P-C4' energy: -5.657
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -1.177
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: 381
Temperature: 1.100000
Total energy: -38.646944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.646944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.646944 (E_RNA)
where:
Base-Base interactions energy: -15.111
where: short stacking energy: -15.111
Base-Backbone interact. energy: -0.085
local terms energy: -23.451543
where:
bonds (distance) C4'-P energy: -6.254
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -4.081
flat angles P-C4'-P energy: -3.774
tors. eta vs tors. theta energy: -3.162
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: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -43.187788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.187788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.187788 (E_RNA)
where:
Base-Base interactions energy: -17.456
where: short stacking energy: -17.456
Base-Backbone interact. energy: -0.000
local terms energy: -25.731667
where:
bonds (distance) C4'-P energy: -4.458
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -4.334
flat angles P-C4'-P energy: -4.572
tors. eta vs tors. theta energy: -7.000
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: 7, replica: 2
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -38.446943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.446943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.446943 (E_RNA)
where:
Base-Base interactions energy: -18.741
where: short stacking energy: -18.741
Base-Backbone interact. energy: -0.000
local terms energy: -19.705366
where:
bonds (distance) C4'-P energy: -3.902
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -0.725
flat angles P-C4'-P energy: -3.531
tors. eta vs tors. theta energy: -4.925
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: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -34.509011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.509011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.509011 (E_RNA)
where:
Base-Base interactions energy: -14.629
where: short stacking energy: -14.629
Base-Backbone interact. energy: -0.061
local terms energy: -19.818724
where:
bonds (distance) C4'-P energy: -5.211
bonds (distance) P-C4' energy: -4.124
flat angles C4'-P-C4' energy: -5.288
flat angles P-C4'-P energy: -2.589
tors. eta vs tors. theta energy: -2.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -34.861413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.861413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.861413 (E_RNA)
where:
Base-Base interactions energy: -13.380
where: short stacking energy: -13.380
Base-Backbone interact. energy: -0.003
local terms energy: -21.478467
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -6.322
flat angles P-C4'-P energy: -4.151
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: 10, replica: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -31.656514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.656514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.656514 (E_RNA)
where:
Base-Base interactions energy: -11.146
where: short stacking energy: -9.546
Base-Backbone interact. energy: -0.001
local terms energy: -20.509679
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -5.131
flat angles C4'-P-C4' energy: -4.670
flat angles P-C4'-P energy: -1.588
tors. eta vs tors. theta energy: -3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -47.947008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.947008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.947008 (E_RNA)
where:
Base-Base interactions energy: -21.197
where: short stacking energy: -21.197
Base-Backbone interact. energy: -0.000
local terms energy: -26.750214
where:
bonds (distance) C4'-P energy: -4.177
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.873
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -5.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -43.302632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.302632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.302632 (E_RNA)
where:
Base-Base interactions energy: -15.000
where: short stacking energy: -15.000
Base-Backbone interact. energy: -0.000
local terms energy: -28.303104
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -5.725
flat angles P-C4'-P energy: -4.935
tors. eta vs tors. theta energy: -6.000
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: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -50.081484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.081484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.081484 (E_RNA)
where:
Base-Base interactions energy: -29.509
where: short stacking energy: -15.210
Base-Backbone interact. energy: -0.198
local terms energy: -20.374236
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.255
flat angles P-C4'-P energy: -2.599
tors. eta vs tors. theta energy: -1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -49.787067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.787067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.787067 (E_RNA)
where:
Base-Base interactions energy: -27.738
where: short stacking energy: -13.380
Base-Backbone interact. energy: -0.001
local terms energy: -22.048456
where:
bonds (distance) C4'-P energy: -3.813
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.935
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -42.680986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.680986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.680986 (E_RNA)
where:
Base-Base interactions energy: -18.034
where: short stacking energy: -18.034
Base-Backbone interact. energy: -0.000
local terms energy: -24.646635
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -6.023
flat angles P-C4'-P energy: -2.864
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -36.517551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.517551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.517551 (E_RNA)
where:
Base-Base interactions energy: -16.752
where: short stacking energy: -16.752
Base-Backbone interact. energy: -0.011
local terms energy: -19.754180
where:
bonds (distance) C4'-P energy: -1.833
bonds (distance) P-C4' energy: -3.806
flat angles C4'-P-C4' energy: -4.160
flat angles P-C4'-P energy: -4.758
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: 7, replica: 4
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -41.521357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.521357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.521357 (E_RNA)
where:
Base-Base interactions energy: -16.483
where: short stacking energy: -16.483
Base-Backbone interact. energy: -0.000
local terms energy: -25.038053
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.058
flat angles P-C4'-P energy: -2.991
tors. eta vs tors. theta energy: -5.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -35.741947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.741947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.741947 (E_RNA)
where:
Base-Base interactions energy: -12.153
where: short stacking energy: -8.441
Base-Backbone interact. energy: -0.000
local terms energy: -23.589358
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -5.479
flat angles P-C4'-P energy: -3.817
tors. eta vs tors. theta energy: -3.163
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: 1
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -42.380227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.380227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.380227 (E_RNA)
where:
Base-Base interactions energy: -19.350
where: short stacking energy: -19.350
Base-Backbone interact. energy: -0.000
local terms energy: -23.030256
where:
bonds (distance) C4'-P energy: -5.303
bonds (distance) P-C4' energy: -5.374
flat angles C4'-P-C4' energy: -5.916
flat angles P-C4'-P energy: -0.728
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -32.703848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.703848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.703848 (E_RNA)
where:
Base-Base interactions energy: -9.744
where: short stacking energy: -9.744
Base-Backbone interact. energy: -0.002
local terms energy: -22.958183
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.412
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -0.276
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: 1, replica: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -43.764838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.764838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.764838 (E_RNA)
where:
Base-Base interactions energy: -22.409
where: short stacking energy: -22.409
Base-Backbone interact. energy: -0.000
local terms energy: -21.355629
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -5.181
flat angles C4'-P-C4' energy: -3.274
flat angles P-C4'-P energy: -3.569
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: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -45.334678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.334678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.334678 (E_RNA)
where:
Base-Base interactions energy: -18.674
where: short stacking energy: -18.674
Base-Backbone interact. energy: -0.000
local terms energy: -26.660585
where:
bonds (distance) C4'-P energy: -5.688
bonds (distance) P-C4' energy: -5.671
flat angles C4'-P-C4' energy: -4.962
flat angles P-C4'-P energy: -5.219
tors. eta vs tors. theta energy: -5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -40.976299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.976299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.976299 (E_RNA)
where:
Base-Base interactions energy: -16.260
where: short stacking energy: -13.004
Base-Backbone interact. energy: -0.004
local terms energy: -24.712821
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.251
flat angles P-C4'-P energy: -3.289
tors. eta vs tors. theta energy: -3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -44.191191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.191191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.191191 (E_RNA)
where:
Base-Base interactions energy: -18.107
where: short stacking energy: -16.468
Base-Backbone interact. energy: -0.007
local terms energy: -26.076855
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.117
flat angles P-C4'-P energy: -2.735
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: 5, replica: 7
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -38.894661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.894661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.894661 (E_RNA)
where:
Base-Base interactions energy: -16.494
where: short stacking energy: -16.494
Base-Backbone interact. energy: -0.027
local terms energy: -22.373196
where:
bonds (distance) C4'-P energy: -4.810
bonds (distance) P-C4' energy: -5.193
flat angles C4'-P-C4' energy: -5.250
flat angles P-C4'-P energy: -5.168
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -38.625385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.625385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.625385 (E_RNA)
where:
Base-Base interactions energy: -13.622
where: short stacking energy: -13.622
Base-Backbone interact. energy: -0.000
local terms energy: -25.003108
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -5.763
flat angles C4'-P-C4' energy: -5.035
flat angles P-C4'-P energy: -4.644
tors. eta vs tors. theta energy: -4.184
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: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -41.868386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.868386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.868386 (E_RNA)
where:
Base-Base interactions energy: -17.963
where: short stacking energy: -17.963
Base-Backbone interact. energy: -0.000
local terms energy: -23.905060
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -5.315
flat angles C4'-P-C4' energy: -5.503
flat angles P-C4'-P energy: -3.197
tors. eta vs tors. theta energy: -4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -38.394954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.394954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.394954 (E_RNA)
where:
Base-Base interactions energy: -18.916
where: short stacking energy: -18.916
Base-Backbone interact. energy: -0.000
local terms energy: -19.478545
where:
bonds (distance) C4'-P energy: -4.985
bonds (distance) P-C4' energy: -3.585
flat angles C4'-P-C4' energy: -5.492
flat angles P-C4'-P energy: -2.090
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: 9, replica: 2
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -35.256397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.256397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.256397 (E_RNA)
where:
Base-Base interactions energy: -13.426
where: short stacking energy: -13.426
Base-Backbone interact. energy: -0.000
local terms energy: -21.830462
where:
bonds (distance) C4'-P energy: -4.797
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -4.972
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -31.601225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.601225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.601225 (E_RNA)
where:
Base-Base interactions energy: -11.449
where: short stacking energy: -11.449
Base-Backbone interact. energy: -0.018
local terms energy: -20.133620
where:
bonds (distance) C4'-P energy: -3.795
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -4.261
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: -1.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -47.251472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.251472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.251472 (E_RNA)
where:
Base-Base interactions energy: -21.035
where: short stacking energy: -21.035
Base-Backbone interact. energy: -0.001
local terms energy: -26.216079
where:
bonds (distance) C4'-P energy: -4.326
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -3.867
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: -8.041
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: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -39.414816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.414816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.414816 (E_RNA)
where:
Base-Base interactions energy: -18.287
where: short stacking energy: -13.092
Base-Backbone interact. energy: 1.102
local terms energy: -22.229573
where:
bonds (distance) C4'-P energy: -6.462
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -3.976
flat angles P-C4'-P energy: -3.849
tors. eta vs tors. theta energy: -1.039
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: 3, replica: 8
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -46.016555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.016555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.016555 (E_RNA)
where:
Base-Base interactions energy: -20.336
where: short stacking energy: -19.139
Base-Backbone interact. energy: -0.000
local terms energy: -25.680680
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -3.160
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -51.006632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.006632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.006632 (E_RNA)
where:
Base-Base interactions energy: -20.443
where: short stacking energy: -20.443
Base-Backbone interact. energy: -0.000
local terms energy: -30.563905
where:
bonds (distance) C4'-P energy: -5.125
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -6.681
flat angles P-C4'-P energy: -4.878
tors. eta vs tors. theta energy: -7.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -49.363237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.363237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.363237 (E_RNA)
where:
Base-Base interactions energy: -31.459
where: short stacking energy: -18.192
Base-Backbone interact. energy: -0.024
local terms energy: -17.879846
where:
bonds (distance) C4'-P energy: -2.314
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -3.224
flat angles P-C4'-P energy: -3.998
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -30.903246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.903246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.903246 (E_RNA)
where:
Base-Base interactions energy: -12.065
where: short stacking energy: -12.065
Base-Backbone interact. energy: -0.000
local terms energy: -18.838137
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -5.843
flat angles C4'-P-C4' energy: -5.694
flat angles P-C4'-P energy: -1.232
tors. eta vs tors. theta energy: -1.103
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: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -43.309946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.309946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.309946 (E_RNA)
where:
Base-Base interactions energy: -16.638
where: short stacking energy: -14.765
Base-Backbone interact. energy: -0.249
local terms energy: -26.423128
where:
bonds (distance) C4'-P energy: -6.160
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -4.755
tors. eta vs tors. theta energy: -4.138
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: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -33.196499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.196499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.196499 (E_RNA)
where:
Base-Base interactions energy: -11.433
where: short stacking energy: -11.433
Base-Backbone interact. energy: -0.049
local terms energy: -21.714579
where:
bonds (distance) C4'-P energy: -4.339
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -4.492
flat angles P-C4'-P energy: -3.047
tors. eta vs tors. theta energy: -4.135
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: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -33.108890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.108890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.108890 (E_RNA)
where:
Base-Base interactions energy: -8.262
where: short stacking energy: -8.262
Base-Backbone interact. energy: -0.068
local terms energy: -24.778810
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.415
flat angles P-C4'-P energy: -4.792
tors. eta vs tors. theta energy: -1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -36.779507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.779507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.779507 (E_RNA)
where:
Base-Base interactions energy: -14.220
where: short stacking energy: -14.220
Base-Backbone interact. energy: -0.001
local terms energy: -22.559198
where:
bonds (distance) C4'-P energy: -1.734
bonds (distance) P-C4' energy: -5.491
flat angles C4'-P-C4' energy: -5.312
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -49.315397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.315397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.315397 (E_RNA)
where:
Base-Base interactions energy: -22.276
where: short stacking energy: -22.276
Base-Backbone interact. energy: -0.001
local terms energy: -27.038423
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -5.103
flat angles C4'-P-C4' energy: -6.145
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -48.038265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.038265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.038265 (E_RNA)
where:
Base-Base interactions energy: -23.508
where: short stacking energy: -23.508
Base-Backbone interact. energy: -0.000
local terms energy: -24.530084
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.183
flat angles P-C4'-P energy: -2.499
tors. eta vs tors. theta energy: -5.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -47.737394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.737394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.737394 (E_RNA)
where:
Base-Base interactions energy: -21.050
where: short stacking energy: -21.050
Base-Backbone interact. energy: -0.000
local terms energy: -26.687234
where:
bonds (distance) C4'-P energy: -5.510
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -5.483
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: -4.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -40.584808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.584808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.584808 (E_RNA)
where:
Base-Base interactions energy: -16.635
where: short stacking energy: -16.635
Base-Backbone interact. energy: -0.074
local terms energy: -23.876416
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -6.263
flat angles P-C4'-P energy: -1.391
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -37.467009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.467009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.467009 (E_RNA)
where:
Base-Base interactions energy: -14.178
where: short stacking energy: -14.178
Base-Backbone interact. energy: -0.000
local terms energy: -23.288601
where:
bonds (distance) C4'-P energy: -4.442
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -5.624
flat angles P-C4'-P energy: -2.965
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -38.910748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.910748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.910748 (E_RNA)
where:
Base-Base interactions energy: -12.567
where: short stacking energy: -12.567
Base-Backbone interact. energy: -0.004
local terms energy: -26.338975
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.100
flat angles C4'-P-C4' energy: -6.304
flat angles P-C4'-P energy: -2.858
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -36.086027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.086027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.086027 (E_RNA)
where:
Base-Base interactions energy: -14.071
where: short stacking energy: -14.071
Base-Backbone interact. energy: -0.000
local terms energy: -22.014910
where:
bonds (distance) C4'-P energy: -4.789
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -4.936
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -41.273094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.273094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.273094 (E_RNA)
where:
Base-Base interactions energy: -17.598
where: short stacking energy: -17.598
Base-Backbone interact. energy: -0.000
local terms energy: -23.675307
where:
bonds (distance) C4'-P energy: -2.227
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.821
flat angles P-C4'-P energy: -2.506
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: 3
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -33.804187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.804187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.804187 (E_RNA)
where:
Base-Base interactions energy: -15.171
where: short stacking energy: -10.705
Base-Backbone interact. energy: -0.001
local terms energy: -18.632088
where:
bonds (distance) C4'-P energy: -5.109
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.737
flat angles P-C4'-P energy: 0.957
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -34.203065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.203065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.203065 (E_RNA)
where:
Base-Base interactions energy: -15.973
where: short stacking energy: -13.148
Base-Backbone interact. energy: -0.019
local terms energy: -18.211025
where:
bonds (distance) C4'-P energy: -1.423
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.355
flat angles P-C4'-P energy: -2.797
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -49.879377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.879377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.879377 (E_RNA)
where:
Base-Base interactions energy: -20.735
where: short stacking energy: -20.735
Base-Backbone interact. energy: -0.000
local terms energy: -29.144831
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -5.576
flat angles C4'-P-C4' energy: -5.926
flat angles P-C4'-P energy: -4.840
tors. eta vs tors. theta energy: -7.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -35.186629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.186629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.186629 (E_RNA)
where:
Base-Base interactions energy: -16.777
where: short stacking energy: -10.945
Base-Backbone interact. energy: 0.081
local terms energy: -18.490756
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -5.445
flat angles C4'-P-C4' energy: -3.699
flat angles P-C4'-P energy: -3.787
tors. eta vs tors. theta energy: 0.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -43.116401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.116401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.116401 (E_RNA)
where:
Base-Base interactions energy: -24.216
where: short stacking energy: -10.231
Base-Backbone interact. energy: -0.005
local terms energy: -18.895488
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.860
flat angles P-C4'-P energy: -0.410
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: 4, replica: 5
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -48.785001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.785001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.785001 (E_RNA)
where:
Base-Base interactions energy: -20.700
where: short stacking energy: -20.700
Base-Backbone interact. energy: -0.000
local terms energy: -28.085247
where:
bonds (distance) C4'-P energy: -4.769
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -5.228
flat angles P-C4'-P energy: -3.861
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -34.360260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.360260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.360260 (E_RNA)
where:
Base-Base interactions energy: -13.555
where: short stacking energy: -13.555
Base-Backbone interact. energy: -0.008
local terms energy: -20.797592
where:
bonds (distance) C4'-P energy: -4.438
bonds (distance) P-C4' energy: -4.810
flat angles C4'-P-C4' energy: -2.743
flat angles P-C4'-P energy: -4.775
tors. eta vs tors. theta energy: -4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -43.577100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.577100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.577100 (E_RNA)
where:
Base-Base interactions energy: -26.076
where: short stacking energy: -12.362
Base-Backbone interact. energy: -0.067
local terms energy: -17.434145
where:
bonds (distance) C4'-P energy: -2.524
bonds (distance) P-C4' energy: -5.678
flat angles C4'-P-C4' energy: -6.763
flat angles P-C4'-P energy: -2.045
tors. eta vs tors. theta energy: -0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -38.548546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.548546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.548546 (E_RNA)
where:
Base-Base interactions energy: -18.214
where: short stacking energy: -18.214
Base-Backbone interact. energy: -0.000
local terms energy: -20.334159
where:
bonds (distance) C4'-P energy: -4.619
bonds (distance) P-C4' energy: -4.659
flat angles C4'-P-C4' energy: -3.776
flat angles P-C4'-P energy: -3.616
tors. eta vs tors. theta energy: -3.664
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: 7
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -31.230600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.230600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.230600 (E_RNA)
where:
Base-Base interactions energy: -11.664
where: short stacking energy: -11.664
Base-Backbone interact. energy: -0.057
local terms energy: -19.509553
where:
bonds (distance) C4'-P energy: -3.477
bonds (distance) P-C4' energy: -5.826
flat angles C4'-P-C4' energy: -6.116
flat angles P-C4'-P energy: -1.939
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -30.902620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.902620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.902620 (E_RNA)
where:
Base-Base interactions energy: -12.582
where: short stacking energy: -10.711
Base-Backbone interact. energy: -0.126
local terms energy: -18.194570
where:
bonds (distance) C4'-P energy: -4.631
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -4.990
flat angles P-C4'-P energy: -1.594
tors. eta vs tors. theta energy: -0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -31.921973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.921973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.921973 (E_RNA)
where:
Base-Base interactions energy: -8.490
where: short stacking energy: -8.490
Base-Backbone interact. energy: -0.089
local terms energy: -23.343558
where:
bonds (distance) C4'-P energy: -4.337
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -6.284
flat angles P-C4'-P energy: -4.299
tors. eta vs tors. theta energy: -1.970
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: 8
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -47.790885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.790885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.790885 (E_RNA)
where:
Base-Base interactions energy: -20.342
where: short stacking energy: -20.342
Base-Backbone interact. energy: -0.000
local terms energy: -27.449002
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -5.569
flat angles C4'-P-C4' energy: -5.231
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -6.081
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: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -48.425505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.425505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.425505 (E_RNA)
where:
Base-Base interactions energy: -19.422
where: short stacking energy: -19.422
Base-Backbone interact. energy: -0.000
local terms energy: -29.003523
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -5.983
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: -7.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -45.345225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.345225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.345225 (E_RNA)
where:
Base-Base interactions energy: -24.632
where: short stacking energy: -12.832
Base-Backbone interact. energy: -0.001
local terms energy: -20.711857
where:
bonds (distance) C4'-P energy: -4.682
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -5.748
flat angles P-C4'-P energy: -3.713
tors. eta vs tors. theta energy: -0.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -39.823961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.823961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.823961 (E_RNA)
where:
Base-Base interactions energy: -15.540
where: short stacking energy: -15.540
Base-Backbone interact. energy: -0.121
local terms energy: -24.163094
where:
bonds (distance) C4'-P energy: -4.745
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.643
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -39.903747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.903747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.903747 (E_RNA)
where:
Base-Base interactions energy: -20.894
where: short stacking energy: -20.894
Base-Backbone interact. energy: -0.000
local terms energy: -19.010206
where:
bonds (distance) C4'-P energy: -4.454
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -6.263
flat angles P-C4'-P energy: 0.128
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -40.761515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.761515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.761515 (E_RNA)
where:
Base-Base interactions energy: -15.176
where: short stacking energy: -15.176
Base-Backbone interact. energy: -0.022
local terms energy: -25.563803
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.053
flat angles P-C4'-P energy: -4.119
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: 7, replica: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -36.932385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.932385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.932385 (E_RNA)
where:
Base-Base interactions energy: -17.291
where: short stacking energy: -8.253
Base-Backbone interact. energy: -0.003
local terms energy: -19.637809
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -5.594
flat angles C4'-P-C4' energy: -5.133
flat angles P-C4'-P energy: -2.764
tors. eta vs tors. theta energy: -1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -35.286036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.286036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.286036 (E_RNA)
where:
Base-Base interactions energy: -24.748
where: short stacking energy: -13.378
Base-Backbone interact. energy: -0.001
local terms energy: -10.536426
where:
bonds (distance) C4'-P energy: -1.539
bonds (distance) P-C4' energy: -2.662
flat angles C4'-P-C4' energy: -5.800
flat angles P-C4'-P energy: -0.936
tors. eta vs tors. theta energy: 0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -33.591081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.591081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.591081 (E_RNA)
where:
Base-Base interactions energy: -14.651
where: short stacking energy: -14.651
Base-Backbone interact. energy: -0.011
local terms energy: -18.928779
where:
bonds (distance) C4'-P energy: -4.744
bonds (distance) P-C4' energy: -3.945
flat angles C4'-P-C4' energy: -4.537
flat angles P-C4'-P energy: -4.622
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -38.237935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.237935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.237935 (E_RNA)
where:
Base-Base interactions energy: -18.134
where: short stacking energy: -18.134
Base-Backbone interact. energy: -0.006
local terms energy: -20.097880
where:
bonds (distance) C4'-P energy: -5.303
bonds (distance) P-C4' energy: -3.610
flat angles C4'-P-C4' energy: -1.729
flat angles P-C4'-P energy: -5.189
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -51.740107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.740107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.740107 (E_RNA)
where:
Base-Base interactions energy: -22.607
where: short stacking energy: -22.607
Base-Backbone interact. energy: -0.000
local terms energy: -29.133214
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.885
flat angles P-C4'-P energy: -4.193
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: 2, replica: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -46.275178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.275178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.275178 (E_RNA)
where:
Base-Base interactions energy: -21.416
where: short stacking energy: -21.416
Base-Backbone interact. energy: -0.000
local terms energy: -24.858880
where:
bonds (distance) C4'-P energy: -4.130
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -6.098
flat angles P-C4'-P energy: -4.660
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -49.596832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.596832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.596832 (E_RNA)
where:
Base-Base interactions energy: -22.376
where: short stacking energy: -22.376
Base-Backbone interact. energy: -0.000
local terms energy: -27.220514
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -3.994
flat angles C4'-P-C4' energy: -5.876
flat angles P-C4'-P energy: -3.757
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -39.561008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.561008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.561008 (E_RNA)
where:
Base-Base interactions energy: -15.577
where: short stacking energy: -15.577
Base-Backbone interact. energy: -0.000
local terms energy: -23.983490
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -3.885
flat angles P-C4'-P energy: -3.561
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -40.456926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.456926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.456926 (E_RNA)
where:
Base-Base interactions energy: -16.110
where: short stacking energy: -16.110
Base-Backbone interact. energy: -0.003
local terms energy: -24.343613
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -5.205
flat angles C4'-P-C4' energy: -5.235
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: -4.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -47.931532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.931532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.931532 (E_RNA)
where:
Base-Base interactions energy: -19.752
where: short stacking energy: -19.752
Base-Backbone interact. energy: -0.000
local terms energy: -28.179633
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.031
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -34.694230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.694230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.694230 (E_RNA)
where:
Base-Base interactions energy: -14.053
where: short stacking energy: -12.178
Base-Backbone interact. energy: -0.000
local terms energy: -20.641076
where:
bonds (distance) C4'-P energy: -5.145
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.085
flat angles P-C4'-P energy: -2.594
tors. eta vs tors. theta energy: -1.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -46.483521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.483521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.483521 (E_RNA)
where:
Base-Base interactions energy: -20.794
where: short stacking energy: -20.794
Base-Backbone interact. energy: -0.000
local terms energy: -25.689409
where:
bonds (distance) C4'-P energy: -4.880
bonds (distance) P-C4' energy: -5.519
flat angles C4'-P-C4' energy: -5.250
flat angles P-C4'-P energy: -3.014
tors. eta vs tors. theta energy: -7.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -36.184325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.184325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.184325 (E_RNA)
where:
Base-Base interactions energy: -12.581
where: short stacking energy: -12.581
Base-Backbone interact. energy: -0.003
local terms energy: -23.600623
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -3.582
flat angles C4'-P-C4' energy: -5.997
flat angles P-C4'-P energy: -3.074
tors. eta vs tors. theta energy: -5.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -35.420757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.420757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.420757 (E_RNA)
where:
Base-Base interactions energy: -13.846
where: short stacking energy: -13.846
Base-Backbone interact. energy: -0.000
local terms energy: -21.574859
where:
bonds (distance) C4'-P energy: -4.462
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -5.669
flat angles P-C4'-P energy: -2.062
tors. eta vs tors. theta energy: -2.767
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: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -48.134226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.134226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.134226 (E_RNA)
where:
Base-Base interactions energy: -20.569
where: short stacking energy: -20.569
Base-Backbone interact. energy: -0.000
local terms energy: -27.565380
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -5.638
flat angles C4'-P-C4' energy: -6.045
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -5.797
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: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -47.632273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.632273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.632273 (E_RNA)
where:
Base-Base interactions energy: -21.337
where: short stacking energy: -21.337
Base-Backbone interact. energy: -0.000
local terms energy: -26.295676
where:
bonds (distance) C4'-P energy: -4.339
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -4.713
flat angles P-C4'-P energy: -4.354
tors. eta vs tors. theta energy: -5.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -39.085277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.085277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.085277 (E_RNA)
where:
Base-Base interactions energy: -15.598
where: short stacking energy: -15.598
Base-Backbone interact. energy: -0.000
local terms energy: -23.486745
where:
bonds (distance) C4'-P energy: -4.309
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.376
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: -3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -40.773085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.773085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.773085 (E_RNA)
where:
Base-Base interactions energy: -13.943
where: short stacking energy: -13.943
Base-Backbone interact. energy: 0.224
local terms energy: -27.053641
where:
bonds (distance) C4'-P energy: -5.891
bonds (distance) P-C4' energy: -5.336
flat angles C4'-P-C4' energy: -6.333
flat angles P-C4'-P energy: -3.870
tors. eta vs tors. theta energy: -5.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -43.182894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.182894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.182894 (E_RNA)
where:
Base-Base interactions energy: -17.708
where: short stacking energy: -17.708
Base-Backbone interact. energy: -0.000
local terms energy: -25.474429
where:
bonds (distance) C4'-P energy: -3.912
bonds (distance) P-C4' energy: -5.410
flat angles C4'-P-C4' energy: -5.852
flat angles P-C4'-P energy: -3.908
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: 6, replica: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -34.541718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.541718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.541718 (E_RNA)
where:
Base-Base interactions energy: -14.792
where: short stacking energy: -14.792
Base-Backbone interact. energy: -0.097
local terms energy: -19.652188
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.469
flat angles C4'-P-C4' energy: -4.823
flat angles P-C4'-P energy: -0.216
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: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -38.507978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.507978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.507978 (E_RNA)
where:
Base-Base interactions energy: -16.119
where: short stacking energy: -14.236
Base-Backbone interact. energy: -0.961
local terms energy: -21.427164
where:
bonds (distance) C4'-P energy: -5.029
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -3.547
flat angles P-C4'-P energy: -3.282
tors. eta vs tors. theta energy: -3.613
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: 3
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -30.036562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.036562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.036562 (E_RNA)
where:
Base-Base interactions energy: -10.637
where: short stacking energy: -10.637
Base-Backbone interact. energy: -0.000
local terms energy: -19.399512
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -6.104
flat angles C4'-P-C4' energy: -3.221
flat angles P-C4'-P energy: -2.156
tors. eta vs tors. theta energy: -2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -35.000516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.000516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.000516 (E_RNA)
where:
Base-Base interactions energy: -14.023
where: short stacking energy: -14.023
Base-Backbone interact. energy: -0.000
local terms energy: -20.977748
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -3.751
flat angles P-C4'-P energy: -2.081
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: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -31.403599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.403599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.403599 (E_RNA)
where:
Base-Base interactions energy: -8.566
where: short stacking energy: -8.566
Base-Backbone interact. energy: -0.001
local terms energy: -22.836787
where:
bonds (distance) C4'-P energy: -3.966
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -6.235
flat angles P-C4'-P energy: -3.311
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: 1, replica: 6
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -53.270914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.270914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.270914 (E_RNA)
where:
Base-Base interactions energy: -29.201
where: short stacking energy: -17.907
Base-Backbone interact. energy: -0.060
local terms energy: -24.009666
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.868
flat angles P-C4'-P energy: -2.066
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -40.897302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.897302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.897302 (E_RNA)
where:
Base-Base interactions energy: -18.925
where: short stacking energy: -15.020
Base-Backbone interact. energy: -0.100
local terms energy: -21.871744
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.003
flat angles P-C4'-P energy: -3.357
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: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -43.514704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.514704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.514704 (E_RNA)
where:
Base-Base interactions energy: -15.586
where: short stacking energy: -15.586
Base-Backbone interact. energy: -0.000
local terms energy: -27.928888
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -5.973
flat angles C4'-P-C4' energy: -5.925
flat angles P-C4'-P energy: -4.259
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: 4, replica: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -40.510411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.510411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.510411 (E_RNA)
where:
Base-Base interactions energy: -16.033
where: short stacking energy: -11.406
Base-Backbone interact. energy: -0.020
local terms energy: -24.457537
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -6.180
flat angles P-C4'-P energy: -3.990
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -42.277480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.277480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.277480 (E_RNA)
where:
Base-Base interactions energy: -16.316
where: short stacking energy: -16.316
Base-Backbone interact. energy: -0.000
local terms energy: -25.961798
where:
bonds (distance) C4'-P energy: -5.241
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -3.386
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -5.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -38.826183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.826183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.826183 (E_RNA)
where:
Base-Base interactions energy: -16.934
where: short stacking energy: -16.934
Base-Backbone interact. energy: -0.000
local terms energy: -21.891683
where:
bonds (distance) C4'-P energy: -4.665
bonds (distance) P-C4' energy: -5.069
flat angles C4'-P-C4' energy: -2.828
flat angles P-C4'-P energy: -3.999
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -36.689801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.689801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.689801 (E_RNA)
where:
Base-Base interactions energy: -17.095
where: short stacking energy: -7.516
Base-Backbone interact. energy: -0.154
local terms energy: -19.441255
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -2.524
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: 0.038
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: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -37.628148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.628148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.628148 (E_RNA)
where:
Base-Base interactions energy: -15.584
where: short stacking energy: -15.584
Base-Backbone interact. energy: -0.104
local terms energy: -21.939236
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -4.688
flat angles C4'-P-C4' energy: -5.743
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -2.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -33.391002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.391002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.391002 (E_RNA)
where:
Base-Base interactions energy: -13.136
where: short stacking energy: -13.136
Base-Backbone interact. energy: -0.036
local terms energy: -20.219897
where:
bonds (distance) C4'-P energy: -4.532
bonds (distance) P-C4' energy: -4.917
flat angles C4'-P-C4' energy: -4.374
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -2.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -31.254142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.254142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.254142 (E_RNA)
where:
Base-Base interactions energy: -10.105
where: short stacking energy: -9.355
Base-Backbone interact. energy: -0.000
local terms energy: -21.149275
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -5.336
flat angles C4'-P-C4' energy: -4.262
flat angles P-C4'-P energy: -1.762
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -46.601500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.601500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.601500 (E_RNA)
where:
Base-Base interactions energy: -18.429
where: short stacking energy: -18.429
Base-Backbone interact. energy: -0.046
local terms energy: -28.127166
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.059
flat angles P-C4'-P energy: -5.043
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: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -44.729687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.729687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.729687 (E_RNA)
where:
Base-Base interactions energy: -18.625
where: short stacking energy: -18.625
Base-Backbone interact. energy: -0.000
local terms energy: -26.104304
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -5.944
flat angles P-C4'-P energy: -3.463
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: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -38.566951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.566951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.566951 (E_RNA)
where:
Base-Base interactions energy: -17.684
where: short stacking energy: -11.049
Base-Backbone interact. energy: -0.023
local terms energy: -20.860071
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.929
flat angles P-C4'-P energy: -2.414
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: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -41.884297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.884297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.884297 (E_RNA)
where:
Base-Base interactions energy: -18.295
where: short stacking energy: -18.295
Base-Backbone interact. energy: -0.001
local terms energy: -23.588325
where:
bonds (distance) C4'-P energy: -4.499
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -5.531
flat angles P-C4'-P energy: -3.685
tors. eta vs tors. theta energy: -4.531
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: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -44.323861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.323861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.323861 (E_RNA)
where:
Base-Base interactions energy: -20.120
where: short stacking energy: -16.335
Base-Backbone interact. energy: -0.005
local terms energy: -24.199292
where:
bonds (distance) C4'-P energy: -4.284
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -35.234223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.234223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.234223 (E_RNA)
where:
Base-Base interactions energy: -18.104
where: short stacking energy: -18.104
Base-Backbone interact. energy: -0.001
local terms energy: -17.129395
where:
bonds (distance) C4'-P energy: -4.727
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -4.492
flat angles P-C4'-P energy: 0.510
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -43.964450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.964450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.964450 (E_RNA)
where:
Base-Base interactions energy: -17.169
where: short stacking energy: -17.169
Base-Backbone interact. energy: -0.000
local terms energy: -26.795012
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -5.315
flat angles C4'-P-C4' energy: -5.301
flat angles P-C4'-P energy: -4.596
tors. eta vs tors. theta energy: -5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -39.593568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.593568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.593568 (E_RNA)
where:
Base-Base interactions energy: -16.872
where: short stacking energy: -16.872
Base-Backbone interact. energy: -0.001
local terms energy: -22.720947
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -2.634
flat angles C4'-P-C4' energy: -6.494
flat angles P-C4'-P energy: -3.845
tors. eta vs tors. theta energy: -3.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -32.780776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.780776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.780776 (E_RNA)
where:
Base-Base interactions energy: -12.902
where: short stacking energy: -12.902
Base-Backbone interact. energy: -0.000
local terms energy: -19.878392
where:
bonds (distance) C4'-P energy: -4.122
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.238
flat angles P-C4'-P energy: -3.514
tors. eta vs tors. theta energy: -0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -35.550333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.550333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.550333 (E_RNA)
where:
Base-Base interactions energy: -16.974
where: short stacking energy: -16.974
Base-Backbone interact. energy: -0.000
local terms energy: -18.576630
where:
bonds (distance) C4'-P energy: -2.632
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -1.760
flat angles P-C4'-P energy: -3.635
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -52.713850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.713850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.713850 (E_RNA)
where:
Base-Base interactions energy: -25.970
where: short stacking energy: -25.970
Base-Backbone interact. energy: -0.000
local terms energy: -26.744277
where:
bonds (distance) C4'-P energy: -4.847
bonds (distance) P-C4' energy: -4.896
flat angles C4'-P-C4' energy: -5.814
flat angles P-C4'-P energy: -5.697
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: 2, replica: 6
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -43.859973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.859973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.859973 (E_RNA)
where:
Base-Base interactions energy: -19.949
where: short stacking energy: -19.949
Base-Backbone interact. energy: -0.013
local terms energy: -23.897874
where:
bonds (distance) C4'-P energy: -5.287
bonds (distance) P-C4' energy: -4.396
flat angles C4'-P-C4' energy: -5.921
flat angles P-C4'-P energy: -3.921
tors. eta vs tors. theta energy: -4.374
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: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -49.394038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.394038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.394038 (E_RNA)
where:
Base-Base interactions energy: -19.460
where: short stacking energy: -19.460
Base-Backbone interact. energy: -0.000
local terms energy: -29.933769
where:
bonds (distance) C4'-P energy: -6.577
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.146
flat angles P-C4'-P energy: -5.113
tors. eta vs tors. theta energy: -6.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -44.475186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.475186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.475186 (E_RNA)
where:
Base-Base interactions energy: -23.797
where: short stacking energy: -11.388
Base-Backbone interact. energy: -0.032
local terms energy: -20.646803
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -3.233
flat angles P-C4'-P energy: -2.885
tors. eta vs tors. theta energy: -1.982
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: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -42.375710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.375710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.375710 (E_RNA)
where:
Base-Base interactions energy: -18.926
where: short stacking energy: -18.926
Base-Backbone interact. energy: -0.095
local terms energy: -23.354979
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.194
flat angles P-C4'-P energy: -3.594
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: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -36.900767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.900767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.900767 (E_RNA)
where:
Base-Base interactions energy: -14.225
where: short stacking energy: -14.005
Base-Backbone interact. energy: -0.005
local terms energy: -22.671128
where:
bonds (distance) C4'-P energy: -4.665
bonds (distance) P-C4' energy: -5.763
flat angles C4'-P-C4' energy: -5.072
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -34.671261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.671261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.671261 (E_RNA)
where:
Base-Base interactions energy: -15.491
where: short stacking energy: -15.491
Base-Backbone interact. energy: -0.000
local terms energy: -19.179440
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.202
flat angles C4'-P-C4' energy: -1.343
flat angles P-C4'-P energy: -3.602
tors. eta vs tors. theta energy: -1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -34.334313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.334313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.334313 (E_RNA)
where:
Base-Base interactions energy: -12.522
where: short stacking energy: -12.522
Base-Backbone interact. energy: -0.008
local terms energy: -21.803950
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -5.459
flat angles P-C4'-P energy: -1.618
tors. eta vs tors. theta energy: -4.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -30.052958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.052958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.052958 (E_RNA)
where:
Base-Base interactions energy: -14.160
where: short stacking energy: -14.160
Base-Backbone interact. energy: -0.020
local terms energy: -15.872158
where:
bonds (distance) C4'-P energy: -2.392
bonds (distance) P-C4' energy: -4.628
flat angles C4'-P-C4' energy: -2.631
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -34.524063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.524063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.524063 (E_RNA)
where:
Base-Base interactions energy: -12.880
where: short stacking energy: -12.880
Base-Backbone interact. energy: -0.001
local terms energy: -21.642700
where:
bonds (distance) C4'-P energy: -4.487
bonds (distance) P-C4' energy: -5.065
flat angles C4'-P-C4' energy: -3.526
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -50.195812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.195812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.195812 (E_RNA)
where:
Base-Base interactions energy: -21.792
where: short stacking energy: -21.792
Base-Backbone interact. energy: -0.011
local terms energy: -28.392305
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -6.152
flat angles P-C4'-P energy: -4.169
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: 2, replica: 10
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -51.852115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.852115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.852115 (E_RNA)
where:
Base-Base interactions energy: -21.213
where: short stacking energy: -21.213
Base-Backbone interact. energy: -0.000
local terms energy: -30.639544
where:
bonds (distance) C4'-P energy: -5.650
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.546
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -7.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -41.944265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.944265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.944265 (E_RNA)
where:
Base-Base interactions energy: -24.048
where: short stacking energy: -13.572
Base-Backbone interact. energy: -0.000
local terms energy: -17.895346
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.198
flat angles P-C4'-P energy: -3.337
tors. eta vs tors. theta energy: 1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -41.039246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.039246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.039246 (E_RNA)
where:
Base-Base interactions energy: -19.574
where: short stacking energy: -19.574
Base-Backbone interact. energy: -0.000
local terms energy: -21.465650
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -3.656
flat angles C4'-P-C4' energy: -6.534
flat angles P-C4'-P energy: -0.317
tors. eta vs tors. theta energy: -5.991
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: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -37.139975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.139975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.139975 (E_RNA)
where:
Base-Base interactions energy: -14.773
where: short stacking energy: -11.078
Base-Backbone interact. energy: -0.008
local terms energy: -22.359445
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -4.157
flat angles P-C4'-P energy: -3.496
tors. eta vs tors. theta energy: -1.702
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: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -34.014067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.014067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.014067 (E_RNA)
where:
Base-Base interactions energy: -9.847
where: short stacking energy: -9.847
Base-Backbone interact. energy: -0.001
local terms energy: -24.165712
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -4.675
flat angles P-C4'-P energy: -5.010
tors. eta vs tors. theta energy: -2.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -35.407219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.407219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.407219 (E_RNA)
where:
Base-Base interactions energy: -14.731
where: short stacking energy: -14.731
Base-Backbone interact. energy: -0.000
local terms energy: -20.676491
where:
bonds (distance) C4'-P energy: -4.430
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -3.826
flat angles P-C4'-P energy: -4.222
tors. eta vs tors. theta energy: -1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -40.493290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.493290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.493290 (E_RNA)
where:
Base-Base interactions energy: -21.360
where: short stacking energy: -21.360
Base-Backbone interact. energy: -0.000
local terms energy: -19.132952
where:
bonds (distance) C4'-P energy: 0.059
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.284
flat angles P-C4'-P energy: -2.098
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -39.583903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.583903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.583903 (E_RNA)
where:
Base-Base interactions energy: -16.909
where: short stacking energy: -16.909
Base-Backbone interact. energy: -0.000
local terms energy: -22.674498
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -4.920
flat angles C4'-P-C4' energy: -4.685
flat angles P-C4'-P energy: -4.374
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -34.767960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.767960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.767960 (E_RNA)
where:
Base-Base interactions energy: -13.140
where: short stacking energy: -13.140
Base-Backbone interact. energy: -0.020
local terms energy: -21.608306
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -3.265
flat angles C4'-P-C4' energy: -5.200
flat angles P-C4'-P energy: -4.177
tors. eta vs tors. theta energy: -2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -47.624882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.624882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.624882 (E_RNA)
where:
Base-Base interactions energy: -21.339
where: short stacking energy: -21.339
Base-Backbone interact. energy: -0.000
local terms energy: -26.285627
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.578
flat angles P-C4'-P energy: -4.559
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: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -42.292589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.292589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.292589 (E_RNA)
where:
Base-Base interactions energy: -19.130
where: short stacking energy: -19.130
Base-Backbone interact. energy: -0.000
local terms energy: -23.162766
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -5.748
flat angles C4'-P-C4' energy: -3.865
flat angles P-C4'-P energy: -2.611
tors. eta vs tors. theta energy: -5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -46.740587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.740587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.740587 (E_RNA)
where:
Base-Base interactions energy: -23.128
where: short stacking energy: -17.007
Base-Backbone interact. energy: -0.841
local terms energy: -22.771234
where:
bonds (distance) C4'-P energy: -2.314
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -6.117
flat angles P-C4'-P energy: -4.671
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: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -39.419843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.419843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.419843 (E_RNA)
where:
Base-Base interactions energy: -15.089
where: short stacking energy: -15.089
Base-Backbone interact. energy: -0.129
local terms energy: -24.202143
where:
bonds (distance) C4'-P energy: -4.682
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.694
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -47.892100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.892100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.892100 (E_RNA)
where:
Base-Base interactions energy: -25.534
where: short stacking energy: -13.133
Base-Backbone interact. energy: -0.003
local terms energy: -22.354849
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.916
flat angles C4'-P-C4' energy: -4.513
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -40.374163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.374163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.374163 (E_RNA)
where:
Base-Base interactions energy: -17.804
where: short stacking energy: -17.804
Base-Backbone interact. energy: -0.014
local terms energy: -22.555936
where:
bonds (distance) C4'-P energy: -4.523
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.041
flat angles P-C4'-P energy: -4.039
tors. eta vs tors. theta energy: -2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -41.085943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.085943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.085943 (E_RNA)
where:
Base-Base interactions energy: -19.161
where: short stacking energy: -6.700
Base-Backbone interact. energy: 0.112
local terms energy: -22.036848
where:
bonds (distance) C4'-P energy: -6.060
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -6.607
flat angles P-C4'-P energy: -2.779
tors. eta vs tors. theta energy: 0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -37.606963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.606963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.606963 (E_RNA)
where:
Base-Base interactions energy: -15.400
where: short stacking energy: -15.259
Base-Backbone interact. energy: -0.004
local terms energy: -22.202551
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -4.198
flat angles P-C4'-P energy: -2.954
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -34.598323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.598323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.598323 (E_RNA)
where:
Base-Base interactions energy: -17.944
where: short stacking energy: -17.944
Base-Backbone interact. energy: -0.099
local terms energy: -16.554938
where:
bonds (distance) C4'-P energy: -4.242
bonds (distance) P-C4' energy: -5.748
flat angles C4'-P-C4' energy: -4.966
flat angles P-C4'-P energy: 1.300
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: 10, replica: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -38.748867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.748867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.748867 (E_RNA)
where:
Base-Base interactions energy: -13.982
where: short stacking energy: -13.982
Base-Backbone interact. energy: -0.000
local terms energy: -24.767117
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -6.433
flat angles P-C4'-P energy: -2.753
tors. eta vs tors. theta energy: -4.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -51.411254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.411254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.411254 (E_RNA)
where:
Base-Base interactions energy: -28.756
where: short stacking energy: -14.174
Base-Backbone interact. energy: -0.101
local terms energy: -22.554496
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.498
flat angles P-C4'-P energy: -1.082
tors. eta vs tors. theta energy: -3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -44.484752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.484752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.484752 (E_RNA)
where:
Base-Base interactions energy: -16.603
where: short stacking energy: -16.603
Base-Backbone interact. energy: -0.000
local terms energy: -27.881504
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -6.241
flat angles P-C4'-P energy: -3.986
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -39.453272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.453272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.453272 (E_RNA)
where:
Base-Base interactions energy: -19.075
where: short stacking energy: -19.075
Base-Backbone interact. energy: -0.004
local terms energy: -20.374181
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -3.745
flat angles C4'-P-C4' energy: -3.958
flat angles P-C4'-P energy: -3.342
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -50.691736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.691736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.691736 (E_RNA)
where:
Base-Base interactions energy: -29.110
where: short stacking energy: -15.436
Base-Backbone interact. energy: -0.000
local terms energy: -21.581811
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -4.838
flat angles P-C4'-P energy: -2.851
tors. eta vs tors. theta energy: -1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -42.859497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.859497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.859497 (E_RNA)
where:
Base-Base interactions energy: -17.093
where: short stacking energy: -17.093
Base-Backbone interact. energy: -0.097
local terms energy: -25.669545
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.149
flat angles C4'-P-C4' energy: -5.345
flat angles P-C4'-P energy: -3.950
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: 6, replica: 9
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -38.455345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.455345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.455345 (E_RNA)
where:
Base-Base interactions energy: -18.360
where: short stacking energy: -14.607
Base-Backbone interact. energy: -0.052
local terms energy: -20.043451
where:
bonds (distance) C4'-P energy: -4.293
bonds (distance) P-C4' energy: -5.248
flat angles C4'-P-C4' energy: -6.196
flat angles P-C4'-P energy: -1.701
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: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -38.454203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.454203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.454203 (E_RNA)
where:
Base-Base interactions energy: -15.236
where: short stacking energy: -15.236
Base-Backbone interact. energy: -0.001
local terms energy: -23.216902
where:
bonds (distance) C4'-P energy: -4.682
bonds (distance) P-C4' energy: -5.318
flat angles C4'-P-C4' energy: -5.676
flat angles P-C4'-P energy: -4.678
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: 8, replica: 2
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -39.940116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.940116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.940116 (E_RNA)
where:
Base-Base interactions energy: -22.016
where: short stacking energy: -17.141
Base-Backbone interact. energy: -0.016
local terms energy: -17.908042
where:
bonds (distance) C4'-P energy: -3.035
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -4.476
flat angles P-C4'-P energy: -1.971
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -35.021690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.021690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.021690 (E_RNA)
where:
Base-Base interactions energy: -15.142
where: short stacking energy: -15.142
Base-Backbone interact. energy: -0.003
local terms energy: -19.876984
where:
bonds (distance) C4'-P energy: -4.222
bonds (distance) P-C4' energy: -4.739
flat angles C4'-P-C4' energy: -5.271
flat angles P-C4'-P energy: -4.187
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: 10, replica: 1
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -32.656771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.656771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.656771 (E_RNA)
where:
Base-Base interactions energy: -13.082
where: short stacking energy: -13.082
Base-Backbone interact. energy: 1.503
local terms energy: -21.077710
where:
bonds (distance) C4'-P energy: -5.427
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -3.953
flat angles P-C4'-P energy: -3.859
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -54.133543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.133543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.133543 (E_RNA)
where:
Base-Base interactions energy: -31.638
where: short stacking energy: -16.311
Base-Backbone interact. energy: -0.048
local terms energy: -22.447337
where:
bonds (distance) C4'-P energy: -4.681
bonds (distance) P-C4' energy: -5.833
flat angles C4'-P-C4' energy: -5.512
flat angles P-C4'-P energy: -2.233
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: 2, replica: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -46.363168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.363168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.363168 (E_RNA)
where:
Base-Base interactions energy: -21.209
where: short stacking energy: -21.209
Base-Backbone interact. energy: -0.000
local terms energy: -25.154144
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -3.455
flat angles C4'-P-C4' energy: -5.940
flat angles P-C4'-P energy: -4.688
tors. eta vs tors. theta energy: -5.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -48.171572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.171572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.171572 (E_RNA)
where:
Base-Base interactions energy: -22.981
where: short stacking energy: -22.981
Base-Backbone interact. energy: -0.017
local terms energy: -25.173125
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -5.603
flat angles C4'-P-C4' energy: -5.631
flat angles P-C4'-P energy: -2.716
tors. eta vs tors. theta energy: -5.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -51.906213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.906213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.906213 (E_RNA)
where:
Base-Base interactions energy: -21.901
where: short stacking energy: -21.901
Base-Backbone interact. energy: -0.000
local terms energy: -30.005137
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.718
flat angles P-C4'-P energy: -4.538
tors. eta vs tors. theta energy: -7.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -44.202324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.202324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.202324 (E_RNA)
where:
Base-Base interactions energy: -25.492
where: short stacking energy: -13.242
Base-Backbone interact. energy: -0.003
local terms energy: -18.707010
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -1.830
flat angles P-C4'-P energy: -3.519
tors. eta vs tors. theta energy: -2.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -31.228450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.228450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.228450 (E_RNA)
where:
Base-Base interactions energy: -10.940
where: short stacking energy: -10.940
Base-Backbone interact. energy: -0.008
local terms energy: -20.280597
where:
bonds (distance) C4'-P energy: -4.400
bonds (distance) P-C4' energy: -5.945
flat angles C4'-P-C4' energy: -5.187
flat angles P-C4'-P energy: -1.083
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: 7, replica: 2
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -32.485750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.485750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.485750 (E_RNA)
where:
Base-Base interactions energy: -13.260
where: short stacking energy: -13.260
Base-Backbone interact. energy: -0.023
local terms energy: -19.202570
where:
bonds (distance) C4'-P energy: -3.908
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.071
flat angles P-C4'-P energy: -3.540
tors. eta vs tors. theta energy: -0.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -31.339682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.339682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.339682 (E_RNA)
where:
Base-Base interactions energy: -9.642
where: short stacking energy: -9.642
Base-Backbone interact. energy: -0.011
local terms energy: -21.686634
where:
bonds (distance) C4'-P energy: -4.682
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -5.761
flat angles P-C4'-P energy: -3.966
tors. eta vs tors. theta energy: -1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -33.822551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.822551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.822551 (E_RNA)
where:
Base-Base interactions energy: -11.201
where: short stacking energy: -11.201
Base-Backbone interact. energy: -0.000
local terms energy: -22.621699
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -4.897
flat angles P-C4'-P energy: -2.721
tors. eta vs tors. theta energy: -4.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -30.719757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.719757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.719757 (E_RNA)
where:
Base-Base interactions energy: -18.080
where: short stacking energy: -17.274
Base-Backbone interact. energy: -0.000
local terms energy: -12.639595
where:
bonds (distance) C4'-P energy: -1.924
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -2.342
flat angles P-C4'-P energy: -2.309
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: 397
Temperature: 0.900000
Total energy: -54.275325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.275325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.275325 (E_RNA)
where:
Base-Base interactions energy: -32.286
where: short stacking energy: -15.720
Base-Backbone interact. energy: -0.012
local terms energy: -21.977603
where:
bonds (distance) C4'-P energy: -4.753
bonds (distance) P-C4' energy: -5.671
flat angles C4'-P-C4' energy: -6.465
flat angles P-C4'-P energy: -3.138
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -44.126448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.126448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.126448 (E_RNA)
where:
Base-Base interactions energy: -16.193
where: short stacking energy: -16.193
Base-Backbone interact. energy: -0.000
local terms energy: -27.933739
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -6.568
flat angles P-C4'-P energy: -2.779
tors. eta vs tors. theta energy: -5.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -43.900731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.900731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.900731 (E_RNA)
where:
Base-Base interactions energy: -18.776
where: short stacking energy: -16.827
Base-Backbone interact. energy: -0.000
local terms energy: -25.124362
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.953
flat angles P-C4'-P energy: -4.275
tors. eta vs tors. theta energy: -3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -44.057317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.057317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.057317 (E_RNA)
where:
Base-Base interactions energy: -16.863
where: short stacking energy: -16.863
Base-Backbone interact. energy: -0.002
local terms energy: -27.192357
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -6.225
flat angles P-C4'-P energy: -4.020
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -39.983126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.983126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.983126 (E_RNA)
where:
Base-Base interactions energy: -15.986
where: short stacking energy: -15.986
Base-Backbone interact. energy: -0.000
local terms energy: -23.996828
where:
bonds (distance) C4'-P energy: -4.930
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.203
flat angles P-C4'-P energy: -3.977
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: 6, replica: 2
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -37.725547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.725547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.725547 (E_RNA)
where:
Base-Base interactions energy: -17.653
where: short stacking energy: -10.065
Base-Backbone interact. energy: -0.418
local terms energy: -19.653742
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -4.850
flat angles C4'-P-C4' energy: -5.393
flat angles P-C4'-P energy: -4.125
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: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -34.650172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.650172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.650172 (E_RNA)
where:
Base-Base interactions energy: -16.281
where: short stacking energy: -13.169
Base-Backbone interact. energy: -0.001
local terms energy: -18.368327
where:
bonds (distance) C4'-P energy: -5.063
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -3.213
flat angles P-C4'-P energy: -2.298
tors. eta vs tors. theta energy: -0.918
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: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -38.829007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.829007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.829007 (E_RNA)
where:
Base-Base interactions energy: -18.213
where: short stacking energy: -14.736
Base-Backbone interact. energy: -0.004
local terms energy: -20.612081
where:
bonds (distance) C4'-P energy: -4.523
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.381
flat angles P-C4'-P energy: 0.105
tors. eta vs tors. theta energy: -4.596
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: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -37.923576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.923576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.923576 (E_RNA)
where:
Base-Base interactions energy: -14.923
where: short stacking energy: -14.923
Base-Backbone interact. energy: -0.106
local terms energy: -22.893912
where:
bonds (distance) C4'-P energy: -2.193
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -6.098
flat angles P-C4'-P energy: -3.954
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: 10, replica: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -34.665926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.665926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.665926 (E_RNA)
where:
Base-Base interactions energy: -17.175
where: short stacking energy: -15.369
Base-Backbone interact. energy: 0.114
local terms energy: -17.605586
where:
bonds (distance) C4'-P energy: -4.631
bonds (distance) P-C4' energy: -3.562
flat angles C4'-P-C4' energy: -4.406
flat angles P-C4'-P energy: -2.959
tors. eta vs tors. theta energy: -2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -51.760190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.760190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.760190 (E_RNA)
where:
Base-Base interactions energy: -24.480
where: short stacking energy: -24.480
Base-Backbone interact. energy: -0.000
local terms energy: -27.280499
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -3.512
flat angles P-C4'-P energy: -5.367
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: 2, replica: 10
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -45.535501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.535501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.535501 (E_RNA)
where:
Base-Base interactions energy: -19.290
where: short stacking energy: -19.290
Base-Backbone interact. energy: -0.792
local terms energy: -25.452773
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.050
flat angles P-C4'-P energy: -3.378
tors. eta vs tors. theta energy: -6.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -42.937620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.937620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.937620 (E_RNA)
where:
Base-Base interactions energy: -19.453
where: short stacking energy: -19.453
Base-Backbone interact. energy: -0.003
local terms energy: -23.481861
where:
bonds (distance) C4'-P energy: -3.673
bonds (distance) P-C4' energy: -5.448
flat angles C4'-P-C4' energy: -5.792
flat angles P-C4'-P energy: -4.325
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: 4, replica: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -44.231615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.231615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.231615 (E_RNA)
where:
Base-Base interactions energy: -17.086
where: short stacking energy: -17.086
Base-Backbone interact. energy: -0.000
local terms energy: -27.145608
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.762
flat angles P-C4'-P energy: -3.014
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -40.128705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.128705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.128705 (E_RNA)
where:
Base-Base interactions energy: -15.549
where: short stacking energy: -15.549
Base-Backbone interact. energy: -0.000
local terms energy: -24.580088
where:
bonds (distance) C4'-P energy: -5.295
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -6.376
flat angles P-C4'-P energy: -2.817
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -37.704412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.704412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.704412 (E_RNA)
where:
Base-Base interactions energy: -17.253
where: short stacking energy: -17.253
Base-Backbone interact. energy: -0.001
local terms energy: -20.451212
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.350
flat angles C4'-P-C4' energy: -4.365
flat angles P-C4'-P energy: -1.254
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -35.455338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.455338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.455338 (E_RNA)
where:
Base-Base interactions energy: -15.273
where: short stacking energy: -13.946
Base-Backbone interact. energy: -0.015
local terms energy: -20.167435
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -4.751
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -3.280
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: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -35.473206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.473206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.473206 (E_RNA)
where:
Base-Base interactions energy: -13.046
where: short stacking energy: -13.046
Base-Backbone interact. energy: -0.000
local terms energy: -22.427329
where:
bonds (distance) C4'-P energy: -4.673
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.776
flat angles P-C4'-P energy: -2.760
tors. eta vs tors. theta energy: -3.230
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: 3
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -36.499184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.499184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.499184 (E_RNA)
where:
Base-Base interactions energy: -15.938
where: short stacking energy: -15.938
Base-Backbone interact. energy: -0.018
local terms energy: -20.543050
where:
bonds (distance) C4'-P energy: -4.006
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -5.055
flat angles P-C4'-P energy: -1.131
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -43.038296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.038296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.038296 (E_RNA)
where:
Base-Base interactions energy: -17.765
where: short stacking energy: -17.356
Base-Backbone interact. energy: -0.119
local terms energy: -25.154870
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -5.338
flat angles P-C4'-P energy: -3.302
tors. eta vs tors. theta energy: -3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -48.394773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.394773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.394773 (E_RNA)
where:
Base-Base interactions energy: -25.485
where: short stacking energy: -18.298
Base-Backbone interact. energy: -0.054
local terms energy: -22.855539
where:
bonds (distance) C4'-P energy: -4.785
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.851
flat angles P-C4'-P energy: -3.483
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -39.220946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.220946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.220946 (E_RNA)
where:
Base-Base interactions energy: -16.226
where: short stacking energy: -16.226
Base-Backbone interact. energy: -0.001
local terms energy: -22.993898
where:
bonds (distance) C4'-P energy: -5.393
bonds (distance) P-C4' energy: -5.420
flat angles C4'-P-C4' energy: -4.972
flat angles P-C4'-P energy: -3.992
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: 3, replica: 10
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -46.708157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.708157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.708157 (E_RNA)
where:
Base-Base interactions energy: -17.893
where: short stacking energy: -17.893
Base-Backbone interact. energy: -0.000
local terms energy: -28.815372
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.410
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -40.022768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.022768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.022768 (E_RNA)
where:
Base-Base interactions energy: -16.947
where: short stacking energy: -16.947
Base-Backbone interact. energy: -0.004
local terms energy: -23.071694
where:
bonds (distance) C4'-P energy: -5.543
bonds (distance) P-C4' energy: -4.988
flat angles C4'-P-C4' energy: -5.784
flat angles P-C4'-P energy: -3.420
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: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -33.555123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.555123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.555123 (E_RNA)
where:
Base-Base interactions energy: -11.553
where: short stacking energy: -11.553
Base-Backbone interact. energy: -0.189
local terms energy: -21.813047
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -3.932
flat angles C4'-P-C4' energy: -5.476
flat angles P-C4'-P energy: -4.406
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -37.314027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.314027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.314027 (E_RNA)
where:
Base-Base interactions energy: -14.090
where: short stacking energy: -14.090
Base-Backbone interact. energy: -0.004
local terms energy: -23.220675
where:
bonds (distance) C4'-P energy: -3.717
bonds (distance) P-C4' energy: -6.355
flat angles C4'-P-C4' energy: -4.771
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -38.105383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.105383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.105383 (E_RNA)
where:
Base-Base interactions energy: -15.036
where: short stacking energy: -15.036
Base-Backbone interact. energy: -0.000
local terms energy: -23.069525
where:
bonds (distance) C4'-P energy: -4.160
bonds (distance) P-C4' energy: -5.677
flat angles C4'-P-C4' energy: -5.442
flat angles P-C4'-P energy: -2.154
tors. eta vs tors. theta energy: -5.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -40.402309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.402309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.402309 (E_RNA)
where:
Base-Base interactions energy: -23.778
where: short stacking energy: -12.097
Base-Backbone interact. energy: -0.042
local terms energy: -16.583005
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -4.032
flat angles C4'-P-C4' energy: -3.344
flat angles P-C4'-P energy: -2.701
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: 6
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -37.497167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.497167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.497167 (E_RNA)
where:
Base-Base interactions energy: -14.766
where: short stacking energy: -14.766
Base-Backbone interact. energy: -0.002
local terms energy: -22.729226
where:
bonds (distance) C4'-P energy: -2.719
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.349
flat angles P-C4'-P energy: -4.753
tors. eta vs tors. theta energy: -3.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -32.176378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.176378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.176378 (E_RNA)
where:
Base-Base interactions energy: -12.103
where: short stacking energy: -12.103
Base-Backbone interact. energy: -0.000
local terms energy: -20.073289
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.604
flat angles P-C4'-P energy: -3.873
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: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -42.099296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.099296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.099296 (E_RNA)
where:
Base-Base interactions energy: -25.039
where: short stacking energy: -12.114
Base-Backbone interact. energy: -0.049
local terms energy: -17.011600
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -4.664
flat angles P-C4'-P energy: -3.133
tors. eta vs tors. theta energy: 2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -45.417836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.417836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.417836 (E_RNA)
where:
Base-Base interactions energy: -20.952
where: short stacking energy: -20.952
Base-Backbone interact. energy: -0.000
local terms energy: -24.466168
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -4.428
flat angles C4'-P-C4' energy: -5.762
flat angles P-C4'-P energy: -3.440
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -45.301920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.301920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.301920 (E_RNA)
where:
Base-Base interactions energy: -20.293
where: short stacking energy: -20.293
Base-Backbone interact. energy: -0.000
local terms energy: -25.009217
where:
bonds (distance) C4'-P energy: -4.251
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.505
flat angles P-C4'-P energy: -4.458
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -46.941949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.941949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.941949 (E_RNA)
where:
Base-Base interactions energy: -21.154
where: short stacking energy: -21.154
Base-Backbone interact. energy: -0.000
local terms energy: -25.788334
where:
bonds (distance) C4'-P energy: -6.362
bonds (distance) P-C4' energy: -4.910
flat angles C4'-P-C4' energy: -6.178
flat angles P-C4'-P energy: -1.115
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: 5, replica: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -40.509093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.509093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.509093 (E_RNA)
where:
Base-Base interactions energy: -20.304
where: short stacking energy: -14.850
Base-Backbone interact. energy: -0.003
local terms energy: -20.202191
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.273
flat angles C4'-P-C4' energy: -4.709
flat angles P-C4'-P energy: -3.944
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: 6, replica: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -48.190834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.190834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.190834 (E_RNA)
where:
Base-Base interactions energy: -25.085
where: short stacking energy: -25.085
Base-Backbone interact. energy: -0.000
local terms energy: -23.105864
where:
bonds (distance) C4'-P energy: -3.304
bonds (distance) P-C4' energy: -6.460
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -2.095
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: 7, replica: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -41.386301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.386301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.386301 (E_RNA)
where:
Base-Base interactions energy: -16.466
where: short stacking energy: -16.466
Base-Backbone interact. energy: -0.007
local terms energy: -24.914000
where:
bonds (distance) C4'-P energy: -4.691
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -4.514
flat angles P-C4'-P energy: -4.268
tors. eta vs tors. theta energy: -4.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -31.368243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.368243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.368243 (E_RNA)
where:
Base-Base interactions energy: -12.634
where: short stacking energy: -12.634
Base-Backbone interact. energy: -0.018
local terms energy: -18.716451
where:
bonds (distance) C4'-P energy: -3.795
bonds (distance) P-C4' energy: -3.085
flat angles C4'-P-C4' energy: -6.303
flat angles P-C4'-P energy: -2.662
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -37.922078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.922078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.922078 (E_RNA)
where:
Base-Base interactions energy: -19.031
where: short stacking energy: -19.031
Base-Backbone interact. energy: -0.001
local terms energy: -18.890585
where:
bonds (distance) C4'-P energy: -2.880
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.359
flat angles P-C4'-P energy: -2.175
tors. eta vs tors. theta energy: -2.572
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: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -34.782186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.782186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.782186 (E_RNA)
where:
Base-Base interactions energy: -11.137
where: short stacking energy: -11.137
Base-Backbone interact. energy: -0.091
local terms energy: -23.554325
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -4.230
flat angles C4'-P-C4' energy: -4.776
flat angles P-C4'-P energy: -4.437
tors. eta vs tors. theta energy: -4.299
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: 1, replica: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -56.805602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.805602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.805602 (E_RNA)
where:
Base-Base interactions energy: -32.668
where: short stacking energy: -18.498
Base-Backbone interact. energy: -0.001
local terms energy: -24.136774
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -6.247
flat angles P-C4'-P energy: -4.009
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -44.976833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.976833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.976833 (E_RNA)
where:
Base-Base interactions energy: -20.637
where: short stacking energy: -20.637
Base-Backbone interact. energy: -0.002
local terms energy: -24.337615
where:
bonds (distance) C4'-P energy: -3.635
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -5.533
flat angles P-C4'-P energy: -3.944
tors. eta vs tors. theta energy: -4.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -50.293103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.293103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.293103 (E_RNA)
where:
Base-Base interactions energy: -25.434
where: short stacking energy: -13.899
Base-Backbone interact. energy: -0.003
local terms energy: -24.856720
where:
bonds (distance) C4'-P energy: -4.735
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -6.320
flat angles P-C4'-P energy: -4.352
tors. eta vs tors. theta energy: -2.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -45.872107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.872107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.872107 (E_RNA)
where:
Base-Base interactions energy: -19.033
where: short stacking energy: -15.250
Base-Backbone interact. energy: -0.650
local terms energy: -26.188920
where:
bonds (distance) C4'-P energy: -4.523
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.528
flat angles P-C4'-P energy: -5.010
tors. eta vs tors. theta energy: -5.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -46.185518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.185518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.185518 (E_RNA)
where:
Base-Base interactions energy: -24.953
where: short stacking energy: -14.924
Base-Backbone interact. energy: -0.008
local terms energy: -21.224849
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -4.630
flat angles P-C4'-P energy: -1.524
tors. eta vs tors. theta energy: -3.909
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: 3
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -32.258607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.258607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.258607 (E_RNA)
where:
Base-Base interactions energy: -17.226
where: short stacking energy: -7.838
Base-Backbone interact. energy: 0.227
local terms energy: -15.259363
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -3.205
flat angles P-C4'-P energy: -0.908
tors. eta vs tors. theta energy: -0.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -39.675975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.675975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.675975 (E_RNA)
where:
Base-Base interactions energy: -16.402
where: short stacking energy: -16.402
Base-Backbone interact. energy: -0.007
local terms energy: -23.266665
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.559
flat angles P-C4'-P energy: -2.420
tors. eta vs tors. theta energy: -5.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -33.737452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.737452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.737452 (E_RNA)
where:
Base-Base interactions energy: -15.473
where: short stacking energy: -15.473
Base-Backbone interact. energy: -0.000
local terms energy: -18.264514
where:
bonds (distance) C4'-P energy: -4.789
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -5.394
flat angles P-C4'-P energy: -1.612
tors. eta vs tors. theta energy: -1.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -33.628427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.628427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.628427 (E_RNA)
where:
Base-Base interactions energy: -20.084
where: short stacking energy: -10.262
Base-Backbone interact. energy: -0.076
local terms energy: -13.467774
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -4.944
flat angles C4'-P-C4' energy: -3.122
flat angles P-C4'-P energy: -0.328
tors. eta vs tors. theta energy: 0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -32.031574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.031574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.031574 (E_RNA)
where:
Base-Base interactions energy: -13.119
where: short stacking energy: -8.407
Base-Backbone interact. energy: -0.028
local terms energy: -18.883742
where:
bonds (distance) C4'-P energy: -4.619
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.653
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -0.785
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: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -53.223296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.223296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.223296 (E_RNA)
where:
Base-Base interactions energy: -23.679
where: short stacking energy: -23.679
Base-Backbone interact. energy: -0.000
local terms energy: -29.544652
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -6.167
flat angles P-C4'-P energy: -4.975
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: 2, replica: 9
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -47.164422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.164422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.164422 (E_RNA)
where:
Base-Base interactions energy: -28.874
where: short stacking energy: -14.201
Base-Backbone interact. energy: -0.025
local terms energy: -18.265175
where:
bonds (distance) C4'-P energy: -4.797
bonds (distance) P-C4' energy: -3.868
flat angles C4'-P-C4' energy: -4.703
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: 0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -45.194452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.194452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.194452 (E_RNA)
where:
Base-Base interactions energy: -19.578
where: short stacking energy: -19.578
Base-Backbone interact. energy: -0.000
local terms energy: -25.616625
where:
bonds (distance) C4'-P energy: -2.996
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.766
flat angles P-C4'-P energy: -4.799
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: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -42.718678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.718678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.718678 (E_RNA)
where:
Base-Base interactions energy: -17.735
where: short stacking energy: -17.735
Base-Backbone interact. energy: -0.000
local terms energy: -24.984022
where:
bonds (distance) C4'-P energy: -4.231
bonds (distance) P-C4' energy: -4.724
flat angles C4'-P-C4' energy: -6.129
flat angles P-C4'-P energy: -3.246
tors. eta vs tors. theta energy: -6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -36.750158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.750158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.750158 (E_RNA)
where:
Base-Base interactions energy: -14.368
where: short stacking energy: -14.368
Base-Backbone interact. energy: -0.016
local terms energy: -22.366244
where:
bonds (distance) C4'-P energy: -4.587
bonds (distance) P-C4' energy: -6.914
flat angles C4'-P-C4' energy: -5.603
flat angles P-C4'-P energy: -4.405
tors. eta vs tors. theta energy: -0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -43.065693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.065693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.065693 (E_RNA)
where:
Base-Base interactions energy: -16.947
where: short stacking energy: -16.947
Base-Backbone interact. energy: -0.000
local terms energy: -26.118131
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.132
flat angles P-C4'-P energy: -3.579
tors. eta vs tors. theta energy: -6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -37.555444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.555444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.555444 (E_RNA)
where:
Base-Base interactions energy: -14.177
where: short stacking energy: -13.277
Base-Backbone interact. energy: -0.001
local terms energy: -23.377483
where:
bonds (distance) C4'-P energy: -4.516
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -3.832
flat angles P-C4'-P energy: -4.123
tors. eta vs tors. theta energy: -5.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -32.633844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.633844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.633844 (E_RNA)
where:
Base-Base interactions energy: -11.105
where: short stacking energy: -11.105
Base-Backbone interact. energy: -0.014
local terms energy: -21.514640
where:
bonds (distance) C4'-P energy: -5.063
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -4.391
flat angles P-C4'-P energy: -3.767
tors. eta vs tors. theta energy: -2.693
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: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -35.459463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.459463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.459463 (E_RNA)
where:
Base-Base interactions energy: -16.023
where: short stacking energy: -16.023
Base-Backbone interact. energy: -0.004
local terms energy: -19.432651
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -0.159
flat angles C4'-P-C4' energy: -3.741
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -33.647194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.647194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.647194 (E_RNA)
where:
Base-Base interactions energy: -16.434
where: short stacking energy: -8.189
Base-Backbone interact. energy: 0.770
local terms energy: -17.983086
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -2.444
flat angles C4'-P-C4' energy: -5.176
flat angles P-C4'-P energy: -2.875
tors. eta vs tors. theta energy: -1.366
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: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -46.735126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.735126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.735126 (E_RNA)
where:
Base-Base interactions energy: -23.018
where: short stacking energy: -17.842
Base-Backbone interact. energy: 0.741
local terms energy: -24.458262
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.906
flat angles P-C4'-P energy: -3.470
tors. eta vs tors. theta energy: -2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -52.368257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.368257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.368257 (E_RNA)
where:
Base-Base interactions energy: -22.752
where: short stacking energy: -22.752
Base-Backbone interact. energy: -0.000
local terms energy: -29.616497
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -5.892
flat angles C4'-P-C4' energy: -6.117
flat angles P-C4'-P energy: -4.078
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: 3, replica: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -43.025889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.025889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.025889 (E_RNA)
where:
Base-Base interactions energy: -19.719
where: short stacking energy: -19.719
Base-Backbone interact. energy: -0.016
local terms energy: -23.290448
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -3.347
flat angles C4'-P-C4' energy: -4.914
flat angles P-C4'-P energy: -4.969
tors. eta vs tors. theta energy: -4.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -51.688003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.688003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.688003 (E_RNA)
where:
Base-Base interactions energy: -23.585
where: short stacking energy: -23.585
Base-Backbone interact. energy: -0.000
local terms energy: -28.102856
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.446
flat angles P-C4'-P energy: -3.362
tors. eta vs tors. theta energy: -6.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -40.330676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.330676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.330676 (E_RNA)
where:
Base-Base interactions energy: -17.991
where: short stacking energy: -17.991
Base-Backbone interact. energy: -0.000
local terms energy: -22.339494
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -4.910
flat angles C4'-P-C4' energy: -6.142
flat angles P-C4'-P energy: -2.814
tors. eta vs tors. theta energy: -2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -38.995669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.995669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.995669 (E_RNA)
where:
Base-Base interactions energy: -15.331
where: short stacking energy: -15.331
Base-Backbone interact. energy: -0.000
local terms energy: -23.664230
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -3.625
flat angles P-C4'-P energy: -4.274
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -33.116047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.116047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.116047 (E_RNA)
where:
Base-Base interactions energy: -10.829
where: short stacking energy: -10.698
Base-Backbone interact. energy: -0.001
local terms energy: -22.286645
where:
bonds (distance) C4'-P energy: -4.727
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.943
flat angles P-C4'-P energy: -2.890
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -31.201836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.201836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.201836 (E_RNA)
where:
Base-Base interactions energy: -13.214
where: short stacking energy: -13.214
Base-Backbone interact. energy: -0.023
local terms energy: -17.964336
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -5.205
flat angles C4'-P-C4' energy: -4.163
flat angles P-C4'-P energy: -0.000
tors. eta vs tors. theta energy: -2.465
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: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -39.978646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.978646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.978646 (E_RNA)
where:
Base-Base interactions energy: -19.393
where: short stacking energy: -19.393
Base-Backbone interact. energy: -0.000
local terms energy: -20.585747
where:
bonds (distance) C4'-P energy: -4.985
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -4.496
flat angles P-C4'-P energy: -2.344
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -42.127328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.127328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.127328 (E_RNA)
where:
Base-Base interactions energy: -19.014
where: short stacking energy: -19.014
Base-Backbone interact. energy: -0.002
local terms energy: -23.111442
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -5.082
flat angles C4'-P-C4' energy: -6.090
flat angles P-C4'-P energy: -3.682
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: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -48.997067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.997067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.997067 (E_RNA)
where:
Base-Base interactions energy: -23.449
where: short stacking energy: -23.449
Base-Backbone interact. energy: -0.000
local terms energy: -25.547607
where:
bonds (distance) C4'-P energy: -5.149
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -5.165
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -5.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -46.239035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.239035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.239035 (E_RNA)
where:
Base-Base interactions energy: -20.743
where: short stacking energy: -20.743
Base-Backbone interact. energy: -0.003
local terms energy: -25.493514
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.596
flat angles P-C4'-P energy: -2.447
tors. eta vs tors. theta energy: -5.849
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: 404
Temperature: 1.000000
Total energy: -46.291067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.291067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.291067 (E_RNA)
where:
Base-Base interactions energy: -26.847
where: short stacking energy: -16.053
Base-Backbone interact. energy: -0.014
local terms energy: -19.430641
where:
bonds (distance) C4'-P energy: -4.773
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -3.203
flat angles P-C4'-P energy: -4.159
tors. eta vs tors. theta energy: -1.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -46.992856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.992856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.992856 (E_RNA)
where:
Base-Base interactions energy: -20.625
where: short stacking energy: -20.625
Base-Backbone interact. energy: -0.000
local terms energy: -26.368254
where:
bonds (distance) C4'-P energy: -4.144
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -6.306
flat angles P-C4'-P energy: -1.999
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -37.658635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.658635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.658635 (E_RNA)
where:
Base-Base interactions energy: -16.815
where: short stacking energy: -16.815
Base-Backbone interact. energy: -0.000
local terms energy: -20.843103
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -3.557
flat angles C4'-P-C4' energy: -6.036
flat angles P-C4'-P energy: -2.272
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: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -41.809427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.809427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.809427 (E_RNA)
where:
Base-Base interactions energy: -16.941
where: short stacking energy: -16.941
Base-Backbone interact. energy: -0.099
local terms energy: -24.769332
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -6.381
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: -3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -42.404851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.404851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.404851 (E_RNA)
where:
Base-Base interactions energy: -18.340
where: short stacking energy: -18.340
Base-Backbone interact. energy: -0.000
local terms energy: -24.064820
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -5.546
flat angles P-C4'-P energy: -3.830
tors. eta vs tors. theta energy: -5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -38.553652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.553652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.553652 (E_RNA)
where:
Base-Base interactions energy: -18.599
where: short stacking energy: -13.057
Base-Backbone interact. energy: -0.062
local terms energy: -19.892422
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -3.767
flat angles P-C4'-P energy: -3.547
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -35.870855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.870855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.870855 (E_RNA)
where:
Base-Base interactions energy: -14.860
where: short stacking energy: -14.860
Base-Backbone interact. energy: -0.000
local terms energy: -21.010959
where:
bonds (distance) C4'-P energy: -4.098
bonds (distance) P-C4' energy: -4.510
flat angles C4'-P-C4' energy: -4.181
flat angles P-C4'-P energy: -3.607
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: 10, replica: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -37.553725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.553725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.553725 (E_RNA)
where:
Base-Base interactions energy: -15.602
where: short stacking energy: -15.602
Base-Backbone interact. energy: -0.010
local terms energy: -21.941756
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -4.098
flat angles P-C4'-P energy: -2.877
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -45.479852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.479852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.479852 (E_RNA)
where:
Base-Base interactions energy: -19.782
where: short stacking energy: -19.782
Base-Backbone interact. energy: -0.000
local terms energy: -25.697342
where:
bonds (distance) C4'-P energy: -4.665
bonds (distance) P-C4' energy: -5.080
flat angles C4'-P-C4' energy: -5.840
flat angles P-C4'-P energy: -4.893
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -56.762962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.762962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.762962 (E_RNA)
where:
Base-Base interactions energy: -32.707
where: short stacking energy: -17.315
Base-Backbone interact. energy: -0.009
local terms energy: -24.046566
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -5.484
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -48.782647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.782647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.782647 (E_RNA)
where:
Base-Base interactions energy: -26.269
where: short stacking energy: -12.645
Base-Backbone interact. energy: -0.024
local terms energy: -22.489872
where:
bonds (distance) C4'-P energy: -4.686
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -5.937
flat angles P-C4'-P energy: -5.091
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: 4, replica: 10
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -42.317576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.317576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.317576 (E_RNA)
where:
Base-Base interactions energy: -22.496
where: short stacking energy: -20.167
Base-Backbone interact. energy: -0.001
local terms energy: -19.821329
where:
bonds (distance) C4'-P energy: -4.462
bonds (distance) P-C4' energy: -4.994
flat angles C4'-P-C4' energy: -5.730
flat angles P-C4'-P energy: -0.604
tors. eta vs tors. theta energy: -4.030
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: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -37.112372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.112372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.112372 (E_RNA)
where:
Base-Base interactions energy: -14.081
where: short stacking energy: -14.081
Base-Backbone interact. energy: -0.518
local terms energy: -22.512956
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -3.630
flat angles P-C4'-P energy: -4.982
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: 6, replica: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -35.730420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.730420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.730420 (E_RNA)
where:
Base-Base interactions energy: -14.286
where: short stacking energy: -14.286
Base-Backbone interact. energy: -0.000
local terms energy: -21.444129
where:
bonds (distance) C4'-P energy: -5.982
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.621
flat angles P-C4'-P energy: -3.852
tors. eta vs tors. theta energy: 0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -38.838116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.838116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.838116 (E_RNA)
where:
Base-Base interactions energy: -18.455
where: short stacking energy: -9.253
Base-Backbone interact. energy: -0.048
local terms energy: -20.334966
where:
bonds (distance) C4'-P energy: -3.867
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.073
flat angles P-C4'-P energy: -3.236
tors. eta vs tors. theta energy: -1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -34.971839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.971839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.971839 (E_RNA)
where:
Base-Base interactions energy: -12.389
where: short stacking energy: -9.708
Base-Backbone interact. energy: -0.000
local terms energy: -22.582235
where:
bonds (distance) C4'-P energy: -4.400
bonds (distance) P-C4' energy: -5.843
flat angles C4'-P-C4' energy: -4.961
flat angles P-C4'-P energy: -4.123
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: 9, replica: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -31.211268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.211268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.211268 (E_RNA)
where:
Base-Base interactions energy: -12.856
where: short stacking energy: -10.766
Base-Backbone interact. energy: -0.087
local terms energy: -18.268004
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -3.545
flat angles P-C4'-P energy: -2.892
tors. eta vs tors. theta energy: 0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -35.570956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.570956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.570956 (E_RNA)
where:
Base-Base interactions energy: -14.144
where: short stacking energy: -14.144
Base-Backbone interact. energy: -0.001
local terms energy: -21.426222
where:
bonds (distance) C4'-P energy: -4.665
bonds (distance) P-C4' energy: -6.914
flat angles C4'-P-C4' energy: -5.338
flat angles P-C4'-P energy: -3.314
tors. eta vs tors. theta energy: -1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -45.164725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.164725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.164725 (E_RNA)
where:
Base-Base interactions energy: -20.554
where: short stacking energy: -20.473
Base-Backbone interact. energy: -0.050
local terms energy: -24.561193
where:
bonds (distance) C4'-P energy: -6.068
bonds (distance) P-C4' energy: -6.464
flat angles C4'-P-C4' energy: -4.982
flat angles P-C4'-P energy: -3.077
tors. eta vs tors. theta energy: -3.970
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: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -41.085313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.085313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.085313 (E_RNA)
where:
Base-Base interactions energy: -14.633
where: short stacking energy: -14.633
Base-Backbone interact. energy: -0.000
local terms energy: -26.451947
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -6.520
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: -3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -41.718017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.718017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.718017 (E_RNA)
where:
Base-Base interactions energy: -17.885
where: short stacking energy: -17.885
Base-Backbone interact. energy: -0.009
local terms energy: -23.824157
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -5.301
flat angles C4'-P-C4' energy: -5.453
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -42.556748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.556748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.556748 (E_RNA)
where:
Base-Base interactions energy: -17.081
where: short stacking energy: -16.037
Base-Backbone interact. energy: -0.043
local terms energy: -25.432707
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.372
flat angles P-C4'-P energy: -4.693
tors. eta vs tors. theta energy: -3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -39.555117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.555117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.555117 (E_RNA)
where:
Base-Base interactions energy: -17.514
where: short stacking energy: -17.514
Base-Backbone interact. energy: -0.002
local terms energy: -22.038814
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.964
flat angles P-C4'-P energy: -2.331
tors. eta vs tors. theta energy: -2.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -34.036745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.036745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.036745 (E_RNA)
where:
Base-Base interactions energy: -12.401
where: short stacking energy: -12.115
Base-Backbone interact. energy: -0.038
local terms energy: -21.597905
where:
bonds (distance) C4'-P energy: -2.942
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -6.304
flat angles P-C4'-P energy: -3.418
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: 7, replica: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -34.851058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.851058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.851058 (E_RNA)
where:
Base-Base interactions energy: -13.428
where: short stacking energy: -13.428
Base-Backbone interact. energy: -0.003
local terms energy: -21.419816
where:
bonds (distance) C4'-P energy: -2.756
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -6.004
flat angles P-C4'-P energy: -3.625
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: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -34.508248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.508248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.508248 (E_RNA)
where:
Base-Base interactions energy: -9.728
where: short stacking energy: -9.728
Base-Backbone interact. energy: -0.074
local terms energy: -24.705843
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.902
flat angles P-C4'-P energy: -3.583
tors. eta vs tors. theta energy: -2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -32.751113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.751113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.751113 (E_RNA)
where:
Base-Base interactions energy: -11.143
where: short stacking energy: -11.143
Base-Backbone interact. energy: -0.004
local terms energy: -21.604174
where:
bonds (distance) C4'-P energy: -4.515
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -5.440
flat angles P-C4'-P energy: -4.250
tors. eta vs tors. theta energy: -0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -36.132157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.132157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.132157 (E_RNA)
where:
Base-Base interactions energy: -17.106
where: short stacking energy: -12.226
Base-Backbone interact. energy: -0.001
local terms energy: -19.025174
where:
bonds (distance) C4'-P energy: -2.888
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -2.842
flat angles P-C4'-P energy: -2.802
tors. eta vs tors. theta energy: -3.821
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: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -49.140375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.140375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.140375 (E_RNA)
where:
Base-Base interactions energy: -20.247
where: short stacking energy: -20.247
Base-Backbone interact. energy: -0.040
local terms energy: -28.853361
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -6.077
flat angles P-C4'-P energy: -4.417
tors. eta vs tors. theta energy: -5.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -45.285175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.285175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.285175 (E_RNA)
where:
Base-Base interactions energy: -20.212
where: short stacking energy: -10.326
Base-Backbone interact. energy: -0.135
local terms energy: -24.937681
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -6.473
flat angles P-C4'-P energy: -4.303
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: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -43.727135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.727135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.727135 (E_RNA)
where:
Base-Base interactions energy: -20.064
where: short stacking energy: -20.064
Base-Backbone interact. energy: -0.000
local terms energy: -23.663030
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -5.607
flat angles C4'-P-C4' energy: -5.271
flat angles P-C4'-P energy: -4.543
tors. eta vs tors. theta energy: -3.275
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: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -41.526454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.526454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.526454 (E_RNA)
where:
Base-Base interactions energy: -15.403
where: short stacking energy: -15.403
Base-Backbone interact. energy: -0.000
local terms energy: -26.123586
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.767
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -44.832407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.832407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.832407 (E_RNA)
where:
Base-Base interactions energy: -21.714
where: short stacking energy: -10.949
Base-Backbone interact. energy: -0.002
local terms energy: -23.116005
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -4.948
flat angles P-C4'-P energy: -5.134
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: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -33.686691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.686691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.686691 (E_RNA)
where:
Base-Base interactions energy: -17.118
where: short stacking energy: -6.321
Base-Backbone interact. energy: -0.148
local terms energy: -16.420384
where:
bonds (distance) C4'-P energy: -3.290
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -3.932
flat angles P-C4'-P energy: -0.051
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -44.386797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.386797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.386797 (E_RNA)
where:
Base-Base interactions energy: -18.053
where: short stacking energy: -18.053
Base-Backbone interact. energy: -0.000
local terms energy: -26.333298
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -5.288
flat angles P-C4'-P energy: -3.455
tors. eta vs tors. theta energy: -5.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -34.967351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.967351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.967351 (E_RNA)
where:
Base-Base interactions energy: -13.621
where: short stacking energy: -13.621
Base-Backbone interact. energy: -0.001
local terms energy: -21.346042
where:
bonds (distance) C4'-P energy: -2.934
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -6.076
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: -0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -36.710253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.710253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.710253 (E_RNA)
where:
Base-Base interactions energy: -12.336
where: short stacking energy: -12.336
Base-Backbone interact. energy: -0.003
local terms energy: -24.371850
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -5.644
flat angles P-C4'-P energy: -4.410
tors. eta vs tors. theta energy: -3.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -39.562044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.562044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.562044 (E_RNA)
where:
Base-Base interactions energy: -15.895
where: short stacking energy: -15.895
Base-Backbone interact. energy: -0.000
local terms energy: -23.667240
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -5.101
flat angles C4'-P-C4' energy: -6.508
flat angles P-C4'-P energy: -2.038
tors. eta vs tors. theta energy: -4.316
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: 10
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -47.373873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.373873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.373873 (E_RNA)
where:
Base-Base interactions energy: -21.862
where: short stacking energy: -21.862
Base-Backbone interact. energy: -0.000
local terms energy: -25.511569
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -5.519
flat angles C4'-P-C4' energy: -5.776
flat angles P-C4'-P energy: -3.278
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: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -47.490196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.490196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.490196 (E_RNA)
where:
Base-Base interactions energy: -20.303
where: short stacking energy: -20.303
Base-Backbone interact. energy: -0.000
local terms energy: -27.187387
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.328
flat angles P-C4'-P energy: -3.819
tors. eta vs tors. theta energy: -4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -48.098709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.098709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.098709 (E_RNA)
where:
Base-Base interactions energy: -24.448
where: short stacking energy: -18.066
Base-Backbone interact. energy: -0.069
local terms energy: -23.582402
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.363
flat angles P-C4'-P energy: -3.851
tors. eta vs tors. theta energy: -2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -42.738442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.738442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.738442 (E_RNA)
where:
Base-Base interactions energy: -20.240
where: short stacking energy: -20.240
Base-Backbone interact. energy: -0.000
local terms energy: -22.498320
where:
bonds (distance) C4'-P energy: -4.169
bonds (distance) P-C4' energy: -5.916
flat angles C4'-P-C4' energy: -5.144
flat angles P-C4'-P energy: -2.638
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: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -35.759493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.759493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.759493 (E_RNA)
where:
Base-Base interactions energy: -16.873
where: short stacking energy: -16.873
Base-Backbone interact. energy: -0.119
local terms energy: -18.766828
where:
bonds (distance) C4'-P energy: -4.441
bonds (distance) P-C4' energy: -5.336
flat angles C4'-P-C4' energy: -4.899
flat angles P-C4'-P energy: -3.653
tors. eta vs tors. theta energy: -0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -37.734609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.734609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.734609 (E_RNA)
where:
Base-Base interactions energy: -14.166
where: short stacking energy: -14.166
Base-Backbone interact. energy: -0.000
local terms energy: -23.568542
where:
bonds (distance) C4'-P energy: -2.893
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -3.427
tors. eta vs tors. theta energy: -3.711
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: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -38.837449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.837449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.837449 (E_RNA)
where:
Base-Base interactions energy: -13.617
where: short stacking energy: -13.617
Base-Backbone interact. energy: -0.006
local terms energy: -25.214677
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -4.967
flat angles P-C4'-P energy: -4.104
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -38.911356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.911356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.911356 (E_RNA)
where:
Base-Base interactions energy: -15.405
where: short stacking energy: -15.405
Base-Backbone interact. energy: -0.077
local terms energy: -23.429946
where:
bonds (distance) C4'-P energy: -3.689
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.960
flat angles P-C4'-P energy: -3.962
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -32.679322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.679322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.679322 (E_RNA)
where:
Base-Base interactions energy: -11.691
where: short stacking energy: -11.691
Base-Backbone interact. energy: -0.100
local terms energy: -20.888354
where:
bonds (distance) C4'-P energy: -5.055
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -4.189
flat angles P-C4'-P energy: -5.132
tors. eta vs tors. theta energy: -0.288
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: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -38.521309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.521309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.521309 (E_RNA)
where:
Base-Base interactions energy: -14.657
where: short stacking energy: -14.657
Base-Backbone interact. energy: -0.001
local terms energy: -23.863160
where:
bonds (distance) C4'-P energy: -5.393
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -4.713
flat angles P-C4'-P energy: -4.576
tors. eta vs tors. theta energy: -3.455
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: 409
Temperature: 0.900000
Total energy: -50.938085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.938085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.938085 (E_RNA)
where:
Base-Base interactions energy: -21.788
where: short stacking energy: -21.788
Base-Backbone interact. energy: -0.000
local terms energy: -29.149766
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.948
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -6.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -48.553916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.553916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.553916 (E_RNA)
where:
Base-Base interactions energy: -21.874
where: short stacking energy: -21.874
Base-Backbone interact. energy: -0.000
local terms energy: -26.679534
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -3.424
flat angles P-C4'-P energy: -3.022
tors. eta vs tors. theta energy: -7.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -51.621625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.621625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.621625 (E_RNA)
where:
Base-Base interactions energy: -23.886
where: short stacking energy: -23.886
Base-Backbone interact. energy: -0.000
local terms energy: -27.735818
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.185
flat angles P-C4'-P energy: -2.130
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: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -51.515298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.515298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.515298 (E_RNA)
where:
Base-Base interactions energy: -34.578
where: short stacking energy: -19.437
Base-Backbone interact. energy: -0.002
local terms energy: -16.935302
where:
bonds (distance) C4'-P energy: -3.928
bonds (distance) P-C4' energy: -4.920
flat angles C4'-P-C4' energy: -3.437
flat angles P-C4'-P energy: 0.382
tors. eta vs tors. theta energy: -5.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -37.857175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.857175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.857175 (E_RNA)
where:
Base-Base interactions energy: -13.322
where: short stacking energy: -13.322
Base-Backbone interact. energy: -0.000
local terms energy: -24.535451
where:
bonds (distance) C4'-P energy: -4.735
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -5.628
flat angles P-C4'-P energy: -3.597
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: 6, replica: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -35.294496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.294496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.294496 (E_RNA)
where:
Base-Base interactions energy: -14.255
where: short stacking energy: -14.255
Base-Backbone interact. energy: -0.027
local terms energy: -21.012285
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -5.916
flat angles C4'-P-C4' energy: -4.277
flat angles P-C4'-P energy: -5.051
tors. eta vs tors. theta energy: -0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -34.541824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.541824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.541824 (E_RNA)
where:
Base-Base interactions energy: -13.123
where: short stacking energy: -13.123
Base-Backbone interact. energy: -0.000
local terms energy: -21.418154
where:
bonds (distance) C4'-P energy: -3.961
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.695
flat angles P-C4'-P energy: -2.825
tors. eta vs tors. theta energy: -1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -30.603670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.603670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.603670 (E_RNA)
where:
Base-Base interactions energy: -12.238
where: short stacking energy: -12.238
Base-Backbone interact. energy: -0.010
local terms energy: -18.355604
where:
bonds (distance) C4'-P energy: -4.789
bonds (distance) P-C4' energy: -5.044
flat angles C4'-P-C4' energy: -5.087
flat angles P-C4'-P energy: -3.234
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: 9, replica: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -39.913933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.913933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.913933 (E_RNA)
where:
Base-Base interactions energy: -16.486
where: short stacking energy: -16.486
Base-Backbone interact. energy: -0.073
local terms energy: -23.355227
where:
bonds (distance) C4'-P energy: -4.416
bonds (distance) P-C4' energy: -4.463
flat angles C4'-P-C4' energy: -5.486
flat angles P-C4'-P energy: -2.895
tors. eta vs tors. theta energy: -6.095
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: 409
Temperature: 1.350000
Total energy: -32.627448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.627448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.627448 (E_RNA)
where:
Base-Base interactions energy: -14.860
where: short stacking energy: -14.860
Base-Backbone interact. energy: -0.017
local terms energy: -17.750195
where:
bonds (distance) C4'-P energy: -4.847
bonds (distance) P-C4' energy: -3.515
flat angles C4'-P-C4' energy: -4.761
flat angles P-C4'-P energy: -3.315
tors. eta vs tors. theta energy: -1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -49.274787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.274787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.274787 (E_RNA)
where:
Base-Base interactions energy: -22.180
where: short stacking energy: -22.180
Base-Backbone interact. energy: -0.000
local terms energy: -27.094967
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -6.324
flat angles P-C4'-P energy: -5.241
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: 2, replica: 10
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -43.685902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.685902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.685902 (E_RNA)
where:
Base-Base interactions energy: -20.729
where: short stacking energy: -20.729
Base-Backbone interact. energy: -0.100
local terms energy: -22.857093
where:
bonds (distance) C4'-P energy: -4.682
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -4.361
flat angles P-C4'-P energy: -2.706
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -51.891063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.891063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.891063 (E_RNA)
where:
Base-Base interactions energy: -24.701
where: short stacking energy: -24.701
Base-Backbone interact. energy: -0.000
local terms energy: -27.190056
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -4.202
flat angles C4'-P-C4' energy: -5.271
flat angles P-C4'-P energy: -4.481
tors. eta vs tors. theta energy: -7.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -50.025556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.025556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.025556 (E_RNA)
where:
Base-Base interactions energy: -22.717
where: short stacking energy: -22.717
Base-Backbone interact. energy: -0.000
local terms energy: -27.308971
where:
bonds (distance) C4'-P energy: -4.686
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.373
flat angles P-C4'-P energy: -3.315
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: 5, replica: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -44.477392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.477392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.477392 (E_RNA)
where:
Base-Base interactions energy: -17.290
where: short stacking energy: -17.290
Base-Backbone interact. energy: -0.000
local terms energy: -27.187273
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.644
flat angles P-C4'-P energy: -4.517
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -40.839343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.839343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.839343 (E_RNA)
where:
Base-Base interactions energy: -14.611
where: short stacking energy: -14.611
Base-Backbone interact. energy: -0.000
local terms energy: -26.228124
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.853
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -35.904074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.904074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.904074 (E_RNA)
where:
Base-Base interactions energy: -12.331
where: short stacking energy: -12.331
Base-Backbone interact. energy: -0.008
local terms energy: -23.565677
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -5.146
flat angles C4'-P-C4' energy: -5.926
flat angles P-C4'-P energy: -3.461
tors. eta vs tors. theta energy: -2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -31.103036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.103036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.103036 (E_RNA)
where:
Base-Base interactions energy: -11.530
where: short stacking energy: -11.530
Base-Backbone interact. energy: -0.001
local terms energy: -19.572026
where:
bonds (distance) C4'-P energy: -3.642
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -6.165
flat angles P-C4'-P energy: -2.537
tors. eta vs tors. theta energy: -0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -33.987484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.987484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.987484 (E_RNA)
where:
Base-Base interactions energy: -11.356
where: short stacking energy: -11.356
Base-Backbone interact. energy: -0.000
local terms energy: -22.631185
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -5.315
flat angles C4'-P-C4' energy: -5.320
flat angles P-C4'-P energy: -2.489
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: 5
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -38.999714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.999714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.999714 (E_RNA)
where:
Base-Base interactions energy: -18.939
where: short stacking energy: -11.611
Base-Backbone interact. energy: -0.001
local terms energy: -20.059304
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.001
flat angles P-C4'-P energy: -3.573
tors. eta vs tors. theta energy: 0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -43.897658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.897658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.897658 (E_RNA)
where:
Base-Base interactions energy: -24.380
where: short stacking energy: -13.614
Base-Backbone interact. energy: -0.002
local terms energy: -19.515886
where:
bonds (distance) C4'-P energy: -4.070
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.306
flat angles P-C4'-P energy: -1.804
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -47.795405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.795405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.795405 (E_RNA)
where:
Base-Base interactions energy: -25.343
where: short stacking energy: -17.430
Base-Backbone interact. energy: -0.005
local terms energy: -22.447543
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -2.896
flat angles P-C4'-P energy: -3.981
tors. eta vs tors. theta energy: -3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -44.853905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.853905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.853905 (E_RNA)
where:
Base-Base interactions energy: -21.601
where: short stacking energy: -14.863
Base-Backbone interact. energy: -0.002
local terms energy: -23.250066
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -4.234
flat angles P-C4'-P energy: -3.174
tors. eta vs tors. theta energy: -3.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -42.842568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.842568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.842568 (E_RNA)
where:
Base-Base interactions energy: -20.721
where: short stacking energy: -20.721
Base-Backbone interact. energy: -0.000
local terms energy: -22.120778
where:
bonds (distance) C4'-P energy: -5.047
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -5.492
flat angles P-C4'-P energy: -2.501
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -50.383302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.383302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.383302 (E_RNA)
where:
Base-Base interactions energy: -25.808
where: short stacking energy: -12.026
Base-Backbone interact. energy: -0.026
local terms energy: -24.549389
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -4.398
flat angles C4'-P-C4' energy: -4.260
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: -4.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -39.145995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.145995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.145995 (E_RNA)
where:
Base-Base interactions energy: -16.214
where: short stacking energy: -16.214
Base-Backbone interact. energy: -0.009
local terms energy: -22.922302
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -4.020
flat angles C4'-P-C4' energy: -5.391
flat angles P-C4'-P energy: -1.967
tors. eta vs tors. theta energy: -5.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -36.276504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.276504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.276504 (E_RNA)
where:
Base-Base interactions energy: -15.166
where: short stacking energy: -15.166
Base-Backbone interact. energy: -0.036
local terms energy: -21.074870
where:
bonds (distance) C4'-P energy: -4.587
bonds (distance) P-C4' energy: -5.472
flat angles C4'-P-C4' energy: -6.873
flat angles P-C4'-P energy: -0.598
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -42.061913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.061913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.061913 (E_RNA)
where:
Base-Base interactions energy: -17.423
where: short stacking energy: -14.101
Base-Backbone interact. energy: -0.000
local terms energy: -24.639067
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -7.147
flat angles C4'-P-C4' energy: -5.464
flat angles P-C4'-P energy: -3.129
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -37.610377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.610377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.610377 (E_RNA)
where:
Base-Base interactions energy: -14.200
where: short stacking energy: -14.200
Base-Backbone interact. energy: -0.064
local terms energy: -23.345999
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -2.615
flat angles P-C4'-P energy: -4.092
tors. eta vs tors. theta energy: -5.247
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: 5
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -37.740232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.740232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.740232 (E_RNA)
where:
Base-Base interactions energy: -18.826
where: short stacking energy: -15.838
Base-Backbone interact. energy: -0.006
local terms energy: -18.908127
where:
bonds (distance) C4'-P energy: -2.190
bonds (distance) P-C4' energy: -4.960
flat angles C4'-P-C4' energy: -5.009
flat angles P-C4'-P energy: -2.472
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: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -47.350841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.350841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.350841 (E_RNA)
where:
Base-Base interactions energy: -20.384
where: short stacking energy: -20.384
Base-Backbone interact. energy: -0.000
local terms energy: -26.966752
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -6.508
flat angles P-C4'-P energy: -3.290
tors. eta vs tors. theta energy: -3.925
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: 6
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -44.395123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.395123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.395123 (E_RNA)
where:
Base-Base interactions energy: -19.911
where: short stacking energy: -19.911
Base-Backbone interact. energy: -0.002
local terms energy: -24.482338
where:
bonds (distance) C4'-P energy: -5.767
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.898
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: -4.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -42.128556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.128556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.128556 (E_RNA)
where:
Base-Base interactions energy: -17.272
where: short stacking energy: -17.272
Base-Backbone interact. energy: -0.000
local terms energy: -24.856177
where:
bonds (distance) C4'-P energy: -4.624
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.025
flat angles P-C4'-P energy: -2.547
tors. eta vs tors. theta energy: -5.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -42.745211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.745211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.745211 (E_RNA)
where:
Base-Base interactions energy: -24.901
where: short stacking energy: -4.560
Base-Backbone interact. energy: -0.099
local terms energy: -17.745133
where:
bonds (distance) C4'-P energy: -3.539
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -4.842
flat angles P-C4'-P energy: -4.166
tors. eta vs tors. theta energy: 0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -43.763833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.763833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.763833 (E_RNA)
where:
Base-Base interactions energy: -17.980
where: short stacking energy: -17.980
Base-Backbone interact. energy: -0.000
local terms energy: -25.783995
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -6.128
flat angles C4'-P-C4' energy: -4.810
flat angles P-C4'-P energy: -2.719
tors. eta vs tors. theta energy: -7.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -40.089099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.089099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.089099 (E_RNA)
where:
Base-Base interactions energy: -18.030
where: short stacking energy: -18.030
Base-Backbone interact. energy: -0.004
local terms energy: -22.054811
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.819
flat angles P-C4'-P energy: -4.588
tors. eta vs tors. theta energy: 0.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -36.102882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.102882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.102882 (E_RNA)
where:
Base-Base interactions energy: -19.275
where: short stacking energy: -19.275
Base-Backbone interact. energy: -0.000
local terms energy: -16.828016
where:
bonds (distance) C4'-P energy: -4.884
bonds (distance) P-C4' energy: -3.904
flat angles C4'-P-C4' energy: -4.064
flat angles P-C4'-P energy: -0.188
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: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -37.708703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.708703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.708703 (E_RNA)
where:
Base-Base interactions energy: -16.960
where: short stacking energy: -16.960
Base-Backbone interact. energy: -0.078
local terms energy: -20.669994
where:
bonds (distance) C4'-P energy: -2.640
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -2.612
flat angles P-C4'-P energy: -4.640
tors. eta vs tors. theta energy: -4.128
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: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -36.996206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.996206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.996206 (E_RNA)
where:
Base-Base interactions energy: -14.603
where: short stacking energy: -14.603
Base-Backbone interact. energy: -0.057
local terms energy: -22.336684
where:
bonds (distance) C4'-P energy: -4.570
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -4.890
flat angles P-C4'-P energy: -1.876
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -33.160919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.160919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.160919 (E_RNA)
where:
Base-Base interactions energy: -14.196
where: short stacking energy: -14.196
Base-Backbone interact. energy: -0.032
local terms energy: -18.932764
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -3.871
flat angles P-C4'-P energy: -2.901
tors. eta vs tors. theta energy: -0.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -49.228802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.228802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.228802 (E_RNA)
where:
Base-Base interactions energy: -22.016
where: short stacking energy: -22.016
Base-Backbone interact. energy: -0.000
local terms energy: -27.212924
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -6.202
flat angles C4'-P-C4' energy: -6.288
flat angles P-C4'-P energy: -4.770
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -42.144575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.144575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.144575 (E_RNA)
where:
Base-Base interactions energy: -15.974
where: short stacking energy: -15.974
Base-Backbone interact. energy: -0.575
local terms energy: -25.594949
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.057
flat angles C4'-P-C4' energy: -5.354
flat angles P-C4'-P energy: -4.032
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -44.880259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.880259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.880259 (E_RNA)
where:
Base-Base interactions energy: -19.908
where: short stacking energy: -19.908
Base-Backbone interact. energy: -0.000
local terms energy: -24.971783
where:
bonds (distance) C4'-P energy: -4.446
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.193
flat angles P-C4'-P energy: -3.414
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: 4, replica: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -42.958069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.958069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.958069 (E_RNA)
where:
Base-Base interactions energy: -18.970
where: short stacking energy: -9.514
Base-Backbone interact. energy: -0.043
local terms energy: -23.944649
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.405
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -1.785
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: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -40.999297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.999297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.999297 (E_RNA)
where:
Base-Base interactions energy: -19.054
where: short stacking energy: -15.124
Base-Backbone interact. energy: -0.007
local terms energy: -21.939018
where:
bonds (distance) C4'-P energy: -3.680
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.098
flat angles P-C4'-P energy: -3.628
tors. eta vs tors. theta energy: -2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -45.589658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.589658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.589658 (E_RNA)
where:
Base-Base interactions energy: -17.243
where: short stacking energy: -17.243
Base-Backbone interact. energy: -0.000
local terms energy: -28.346845
where:
bonds (distance) C4'-P energy: -5.233
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.765
flat angles P-C4'-P energy: -4.256
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: 7, replica: 3
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -35.696935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.696935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.696935 (E_RNA)
where:
Base-Base interactions energy: -11.106
where: short stacking energy: -11.106
Base-Backbone interact. energy: -0.020
local terms energy: -24.570665
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.836
flat angles C4'-P-C4' energy: -3.280
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -3.814
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: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -33.289433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.289433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.289433 (E_RNA)
where:
Base-Base interactions energy: -12.021
where: short stacking energy: -12.021
Base-Backbone interact. energy: -0.050
local terms energy: -21.218165
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -5.652
flat angles P-C4'-P energy: -4.443
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: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -33.358861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.358861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.358861 (E_RNA)
where:
Base-Base interactions energy: -9.759
where: short stacking energy: -9.759
Base-Backbone interact. energy: -0.093
local terms energy: -23.507022
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -5.040
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: -4.156
tors. eta vs tors. theta energy: -2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -35.734980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.734980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.734980 (E_RNA)
where:
Base-Base interactions energy: -12.647
where: short stacking energy: -12.647
Base-Backbone interact. energy: -0.011
local terms energy: -23.077546
where:
bonds (distance) C4'-P energy: -4.647
bonds (distance) P-C4' energy: -5.442
flat angles C4'-P-C4' energy: -5.723
flat angles P-C4'-P energy: -3.597
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -54.566659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.566659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.566659 (E_RNA)
where:
Base-Base interactions energy: -25.768
where: short stacking energy: -21.791
Base-Backbone interact. energy: -1.193
local terms energy: -27.605536
where:
bonds (distance) C4'-P energy: -4.205
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -6.622
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: -5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -46.182088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.182088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.182088 (E_RNA)
where:
Base-Base interactions energy: -19.956
where: short stacking energy: -19.956
Base-Backbone interact. energy: -0.000
local terms energy: -26.225589
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.730
flat angles C4'-P-C4' energy: -3.779
flat angles P-C4'-P energy: -3.568
tors. eta vs tors. theta energy: -7.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -38.566226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.566226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.566226 (E_RNA)
where:
Base-Base interactions energy: -16.597
where: short stacking energy: -16.597
Base-Backbone interact. energy: -0.058
local terms energy: -21.911065
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -5.298
flat angles C4'-P-C4' energy: -6.361
flat angles P-C4'-P energy: -2.555
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: 4, replica: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -46.565273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.565273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.565273 (E_RNA)
where:
Base-Base interactions energy: -27.858
where: short stacking energy: -10.264
Base-Backbone interact. energy: -0.001
local terms energy: -18.706325
where:
bonds (distance) C4'-P energy: -6.478
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -3.061
flat angles P-C4'-P energy: 2.064
tors. eta vs tors. theta energy: -4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -32.697753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.697753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.697753 (E_RNA)
where:
Base-Base interactions energy: -14.606
where: short stacking energy: -5.596
Base-Backbone interact. energy: -0.076
local terms energy: -18.016094
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -4.866
flat angles P-C4'-P energy: -1.511
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: 6, replica: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -38.735216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.735216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.735216 (E_RNA)
where:
Base-Base interactions energy: -15.993
where: short stacking energy: -15.993
Base-Backbone interact. energy: -0.098
local terms energy: -22.644858
where:
bonds (distance) C4'-P energy: -4.647
bonds (distance) P-C4' energy: -5.889
flat angles C4'-P-C4' energy: -5.738
flat angles P-C4'-P energy: -2.819
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: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -49.799702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.799702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.799702 (E_RNA)
where:
Base-Base interactions energy: -21.063
where: short stacking energy: -21.063
Base-Backbone interact. energy: -0.000
local terms energy: -28.736674
where:
bonds (distance) C4'-P energy: -4.330
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.956
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: -6.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -31.236064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.236064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.236064 (E_RNA)
where:
Base-Base interactions energy: -12.729
where: short stacking energy: -6.849
Base-Backbone interact. energy: -0.050
local terms energy: -18.456865
where:
bonds (distance) C4'-P energy: -2.731
bonds (distance) P-C4' energy: -4.969
flat angles C4'-P-C4' energy: -5.539
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -0.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -37.832124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.832124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.832124 (E_RNA)
where:
Base-Base interactions energy: -17.422
where: short stacking energy: -17.422
Base-Backbone interact. energy: -0.001
local terms energy: -20.409244
where:
bonds (distance) C4'-P energy: -3.484
bonds (distance) P-C4' energy: -3.088
flat angles C4'-P-C4' energy: -5.740
flat angles P-C4'-P energy: -3.362
tors. eta vs tors. theta energy: -4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -39.111880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.111880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.111880 (E_RNA)
where:
Base-Base interactions energy: -17.231
where: short stacking energy: -17.231
Base-Backbone interact. energy: -0.002
local terms energy: -21.879105
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -4.881
flat angles P-C4'-P energy: -0.900
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -53.556420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.556420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.556420 (E_RNA)
where:
Base-Base interactions energy: -28.265
where: short stacking energy: -21.176
Base-Backbone interact. energy: -0.002
local terms energy: -25.289437
where:
bonds (distance) C4'-P energy: -4.913
bonds (distance) P-C4' energy: -6.392
flat angles C4'-P-C4' energy: -5.865
flat angles P-C4'-P energy: -3.546
tors. eta vs tors. theta energy: -4.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -40.765359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.765359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.765359 (E_RNA)
where:
Base-Base interactions energy: -20.440
where: short stacking energy: -12.919
Base-Backbone interact. energy: -0.004
local terms energy: -20.321481
where:
bonds (distance) C4'-P energy: -5.161
bonds (distance) P-C4' energy: -5.040
flat angles C4'-P-C4' energy: -6.005
flat angles P-C4'-P energy: -4.114
tors. eta vs tors. theta energy: -0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -46.929750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.929750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.929750 (E_RNA)
where:
Base-Base interactions energy: -19.731
where: short stacking energy: -19.731
Base-Backbone interact. energy: -0.000
local terms energy: -27.199024
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -5.466
flat angles C4'-P-C4' energy: -4.951
flat angles P-C4'-P energy: -4.077
tors. eta vs tors. theta energy: -6.653
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: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -40.693770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.693770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.693770 (E_RNA)
where:
Base-Base interactions energy: -15.993
where: short stacking energy: -15.993
Base-Backbone interact. energy: -0.000
local terms energy: -24.701214
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -5.864
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -50.872405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.872405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.872405 (E_RNA)
where:
Base-Base interactions energy: -29.736
where: short stacking energy: -19.112
Base-Backbone interact. energy: -0.008
local terms energy: -21.128585
where:
bonds (distance) C4'-P energy: -4.430
bonds (distance) P-C4' energy: -5.283
flat angles C4'-P-C4' energy: -6.151
flat angles P-C4'-P energy: -1.913
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -41.341607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.341607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.341607 (E_RNA)
where:
Base-Base interactions energy: -16.689
where: short stacking energy: -16.689
Base-Backbone interact. energy: -0.000
local terms energy: -24.652783
where:
bonds (distance) C4'-P energy: -5.055
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -6.080
flat angles P-C4'-P energy: -4.574
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: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -36.317015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.317015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.317015 (E_RNA)
where:
Base-Base interactions energy: -12.483
where: short stacking energy: -12.483
Base-Backbone interact. energy: -0.221
local terms energy: -23.612850
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -4.635
flat angles C4'-P-C4' energy: -5.990
flat angles P-C4'-P energy: -4.779
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: 8, replica: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -34.765133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.765133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.765133 (E_RNA)
where:
Base-Base interactions energy: -12.438
where: short stacking energy: -12.438
Base-Backbone interact. energy: -0.000
local terms energy: -22.327282
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.442
flat angles P-C4'-P energy: -2.975
tors. eta vs tors. theta energy: -3.341
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: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -32.532699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.532699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.532699 (E_RNA)
where:
Base-Base interactions energy: -15.102
where: short stacking energy: -9.086
Base-Backbone interact. energy: -0.004
local terms energy: -17.427043
where:
bonds (distance) C4'-P energy: -4.110
bonds (distance) P-C4' energy: -4.991
flat angles C4'-P-C4' energy: -5.413
flat angles P-C4'-P energy: -3.572
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: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -36.595074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.595074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.595074 (E_RNA)
where:
Base-Base interactions energy: -13.314
where: short stacking energy: -13.314
Base-Backbone interact. energy: -0.000
local terms energy: -23.280572
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -6.309
flat angles P-C4'-P energy: -3.381
tors. eta vs tors. theta energy: -3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -49.495574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.495574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.495574 (E_RNA)
where:
Base-Base interactions energy: -21.791
where: short stacking energy: -21.791
Base-Backbone interact. energy: -0.000
local terms energy: -27.704774
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -5.344
flat angles P-C4'-P energy: -3.938
tors. eta vs tors. theta energy: -6.510
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: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -51.174659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.174659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.174659 (E_RNA)
where:
Base-Base interactions energy: -26.820
where: short stacking energy: -14.737
Base-Backbone interact. energy: -0.001
local terms energy: -24.353286
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.345
flat angles P-C4'-P energy: -4.385
tors. eta vs tors. theta energy: -2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -39.486296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.486296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.486296 (E_RNA)
where:
Base-Base interactions energy: -16.330
where: short stacking energy: -14.454
Base-Backbone interact. energy: -0.065
local terms energy: -23.091926
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -5.701
flat angles P-C4'-P energy: -3.735
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -46.621771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.621771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.621771 (E_RNA)
where:
Base-Base interactions energy: -21.816
where: short stacking energy: -21.816
Base-Backbone interact. energy: -0.000
local terms energy: -24.805542
where:
bonds (distance) C4'-P energy: -4.276
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.573
flat angles P-C4'-P energy: -3.481
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -45.807153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.807153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.807153 (E_RNA)
where:
Base-Base interactions energy: -20.280
where: short stacking energy: -20.280
Base-Backbone interact. energy: -0.000
local terms energy: -25.527079
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -4.822
flat angles C4'-P-C4' energy: -6.029
flat angles P-C4'-P energy: -2.872
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -35.060797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.060797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.060797 (E_RNA)
where:
Base-Base interactions energy: -12.893
where: short stacking energy: -8.073
Base-Backbone interact. energy: -0.020
local terms energy: -22.147991
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -6.059
flat angles P-C4'-P energy: -3.955
tors. eta vs tors. theta energy: -0.579
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: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -42.136070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.136070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.136070 (E_RNA)
where:
Base-Base interactions energy: -16.873
where: short stacking energy: -16.873
Base-Backbone interact. energy: -0.000
local terms energy: -25.263169
where:
bonds (distance) C4'-P energy: -4.304
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -5.617
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: -6.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -43.450336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.450336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.450336 (E_RNA)
where:
Base-Base interactions energy: -17.401
where: short stacking energy: -17.401
Base-Backbone interact. energy: -0.000
local terms energy: -26.049474
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -3.960
flat angles C4'-P-C4' energy: -6.166
flat angles P-C4'-P energy: -3.706
tors. eta vs tors. theta energy: -6.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -35.733785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.733785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.733785 (E_RNA)
where:
Base-Base interactions energy: -12.913
where: short stacking energy: -12.913
Base-Backbone interact. energy: -0.097
local terms energy: -22.724035
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -5.310
flat angles P-C4'-P energy: -3.710
tors. eta vs tors. theta energy: -2.709
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: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -30.129490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.129490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.129490 (E_RNA)
where:
Base-Base interactions energy: -14.611
where: short stacking energy: -5.619
Base-Backbone interact. energy: -0.054
local terms energy: -15.464327
where:
bonds (distance) C4'-P energy: -2.206
bonds (distance) P-C4' energy: -3.797
flat angles C4'-P-C4' energy: -5.443
flat angles P-C4'-P energy: -3.670
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: 1, replica: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -51.652940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.652940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.652940 (E_RNA)
where:
Base-Base interactions energy: -22.336
where: short stacking energy: -22.336
Base-Backbone interact. energy: -0.000
local terms energy: -29.317251
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.126
flat angles P-C4'-P energy: -2.646
tors. eta vs tors. theta energy: -7.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -45.970856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.970856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.970856 (E_RNA)
where:
Base-Base interactions energy: -20.326
where: short stacking energy: -20.326
Base-Backbone interact. energy: -0.454
local terms energy: -25.190367
where:
bonds (distance) C4'-P energy: -3.990
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.171
flat angles P-C4'-P energy: -4.775
tors. eta vs tors. theta energy: -5.612
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: 1
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -40.648257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.648257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.648257 (E_RNA)
where:
Base-Base interactions energy: -17.550
where: short stacking energy: -17.550
Base-Backbone interact. energy: -0.000
local terms energy: -23.097832
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -3.307
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -3.953
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: 5
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -45.278184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.278184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.278184 (E_RNA)
where:
Base-Base interactions energy: -18.272
where: short stacking energy: -18.272
Base-Backbone interact. energy: 0.981
local terms energy: -27.987307
where:
bonds (distance) C4'-P energy: -3.742
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -6.279
flat angles P-C4'-P energy: -3.653
tors. eta vs tors. theta energy: -7.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -36.800492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.800492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.800492 (E_RNA)
where:
Base-Base interactions energy: -14.200
where: short stacking energy: -14.200
Base-Backbone interact. energy: -0.000
local terms energy: -22.599947
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -5.258
flat angles C4'-P-C4' energy: -6.365
flat angles P-C4'-P energy: -3.153
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: 6, replica: 9
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -40.058507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.058507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.058507 (E_RNA)
where:
Base-Base interactions energy: -17.367
where: short stacking energy: -17.367
Base-Backbone interact. energy: -0.067
local terms energy: -22.623851
where:
bonds (distance) C4'-P energy: -4.727
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -5.639
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: -2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -38.377471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.377471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.377471 (E_RNA)
where:
Base-Base interactions energy: -15.222
where: short stacking energy: -15.222
Base-Backbone interact. energy: -0.002
local terms energy: -23.153067
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -5.109
flat angles P-C4'-P energy: -2.482
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: 8, replica: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -36.700159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.700159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.700159 (E_RNA)
where:
Base-Base interactions energy: -12.575
where: short stacking energy: -12.575
Base-Backbone interact. energy: -0.001
local terms energy: -24.123716
where:
bonds (distance) C4'-P energy: -4.682
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.317
flat angles P-C4'-P energy: -4.592
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: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -32.962376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.962376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.962376 (E_RNA)
where:
Base-Base interactions energy: -12.623
where: short stacking energy: -12.623
Base-Backbone interact. energy: -0.035
local terms energy: -20.304046
where:
bonds (distance) C4'-P energy: -4.296
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.876
flat angles P-C4'-P energy: -3.826
tors. eta vs tors. theta energy: -1.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -31.024441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.024441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.024441 (E_RNA)
where:
Base-Base interactions energy: -12.276
where: short stacking energy: -12.276
Base-Backbone interact. energy: -0.000
local terms energy: -18.748096
where:
bonds (distance) C4'-P energy: -4.686
bonds (distance) P-C4' energy: -2.135
flat angles C4'-P-C4' energy: -4.528
flat angles P-C4'-P energy: -2.689
tors. eta vs tors. theta energy: -4.710
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: 418
Temperature: 0.900000
Total energy: -48.165413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.165413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.165413 (E_RNA)
where:
Base-Base interactions energy: -23.322
where: short stacking energy: -23.322
Base-Backbone interact. energy: -0.000
local terms energy: -24.843361
where:
bonds (distance) C4'-P energy: -4.285
bonds (distance) P-C4' energy: -5.337
flat angles C4'-P-C4' energy: -3.666
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -43.200396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.200396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.200396 (E_RNA)
where:
Base-Base interactions energy: -19.448
where: short stacking energy: -17.069
Base-Backbone interact. energy: -0.010
local terms energy: -23.742222
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -4.677
flat angles C4'-P-C4' energy: -5.173
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: -3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -44.253129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.253129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.253129 (E_RNA)
where:
Base-Base interactions energy: -19.091
where: short stacking energy: -19.091
Base-Backbone interact. energy: -0.006
local terms energy: -25.156309
where:
bonds (distance) C4'-P energy: -5.207
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -5.990
flat angles P-C4'-P energy: -3.439
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -42.042674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.042674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.042674 (E_RNA)
where:
Base-Base interactions energy: -16.640
where: short stacking energy: -16.640
Base-Backbone interact. energy: -0.000
local terms energy: -25.403038
where:
bonds (distance) C4'-P energy: -4.864
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -6.057
flat angles P-C4'-P energy: -2.598
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -38.367853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.367853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.367853 (E_RNA)
where:
Base-Base interactions energy: -15.027
where: short stacking energy: -15.027
Base-Backbone interact. energy: -0.000
local terms energy: -23.340853
where:
bonds (distance) C4'-P energy: -5.349
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.523
flat angles P-C4'-P energy: -3.104
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -38.640880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.640880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.640880 (E_RNA)
where:
Base-Base interactions energy: -18.204
where: short stacking energy: -18.204
Base-Backbone interact. energy: -0.001
local terms energy: -20.435815
where:
bonds (distance) C4'-P energy: -3.970
bonds (distance) P-C4' energy: -5.135
flat angles C4'-P-C4' energy: -3.104
flat angles P-C4'-P energy: -2.746
tors. eta vs tors. theta energy: -5.481
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: 7
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -34.546154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.546154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.546154 (E_RNA)
where:
Base-Base interactions energy: -12.576
where: short stacking energy: -12.576
Base-Backbone interact. energy: -0.000
local terms energy: -21.969782
where:
bonds (distance) C4'-P energy: -4.181
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -4.034
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -32.947468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.947468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.947468 (E_RNA)
where:
Base-Base interactions energy: -11.926
where: short stacking energy: -11.926
Base-Backbone interact. energy: -0.000
local terms energy: -21.021001
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -5.886
flat angles C4'-P-C4' energy: -5.216
flat angles P-C4'-P energy: -3.461
tors. eta vs tors. theta energy: -1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -42.438310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.438310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.438310 (E_RNA)
where:
Base-Base interactions energy: -18.246
where: short stacking energy: -18.246
Base-Backbone interact. energy: -0.000
local terms energy: -24.192228
where:
bonds (distance) C4'-P energy: -3.770
bonds (distance) P-C4' energy: -5.833
flat angles C4'-P-C4' energy: -3.984
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: -5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -36.783640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.783640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.783640 (E_RNA)
where:
Base-Base interactions energy: -14.573
where: short stacking energy: -7.029
Base-Backbone interact. energy: 0.607
local terms energy: -22.817852
where:
bonds (distance) C4'-P energy: -5.306
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -4.425
flat angles P-C4'-P energy: -4.675
tors. eta vs tors. theta energy: -1.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -49.204409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.204409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.204409 (E_RNA)
where:
Base-Base interactions energy: -21.966
where: short stacking energy: -21.966
Base-Backbone interact. energy: -0.000
local terms energy: -27.238142
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -6.148
flat angles P-C4'-P energy: -3.856
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -48.288337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.288337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.288337 (E_RNA)
where:
Base-Base interactions energy: -30.339
where: short stacking energy: -18.014
Base-Backbone interact. energy: -0.055
local terms energy: -17.894342
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.515
flat angles C4'-P-C4' energy: -4.788
flat angles P-C4'-P energy: 1.860
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -48.363453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.363453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.363453 (E_RNA)
where:
Base-Base interactions energy: -21.816
where: short stacking energy: -21.816
Base-Backbone interact. energy: -0.026
local terms energy: -26.522003
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.153
flat angles C4'-P-C4' energy: -4.850
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -48.508902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.508902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.508902 (E_RNA)
where:
Base-Base interactions energy: -27.521
where: short stacking energy: -15.857
Base-Backbone interact. energy: -0.072
local terms energy: -20.916521
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -3.565
flat angles C4'-P-C4' energy: -5.682
flat angles P-C4'-P energy: -2.225
tors. eta vs tors. theta energy: -3.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -36.931619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.931619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.931619 (E_RNA)
where:
Base-Base interactions energy: -16.571
where: short stacking energy: -16.571
Base-Backbone interact. energy: 0.195
local terms energy: -20.555049
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -3.021
flat angles C4'-P-C4' energy: -5.178
flat angles P-C4'-P energy: -2.853
tors. eta vs tors. theta energy: -3.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -32.714492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.714492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.714492 (E_RNA)
where:
Base-Base interactions energy: -10.510
where: short stacking energy: -10.510
Base-Backbone interact. energy: -0.130
local terms energy: -22.073773
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -4.790
flat angles P-C4'-P energy: -5.184
tors. eta vs tors. theta energy: 0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -45.688224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.688224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.688224 (E_RNA)
where:
Base-Base interactions energy: -21.252
where: short stacking energy: -21.252
Base-Backbone interact. energy: -0.000
local terms energy: -24.435923
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -3.144
flat angles C4'-P-C4' energy: -5.268
flat angles P-C4'-P energy: -3.515
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -37.294252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.294252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.294252 (E_RNA)
where:
Base-Base interactions energy: -14.949
where: short stacking energy: -8.532
Base-Backbone interact. energy: -0.007
local terms energy: -22.338779
where:
bonds (distance) C4'-P energy: -4.880
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.905
flat angles P-C4'-P energy: -2.699
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -30.829745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.829745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.829745 (E_RNA)
where:
Base-Base interactions energy: -11.502
where: short stacking energy: -11.316
Base-Backbone interact. energy: -0.001
local terms energy: -19.326929
where:
bonds (distance) C4'-P energy: -3.937
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.310
flat angles P-C4'-P energy: -3.707
tors. eta vs tors. theta energy: 0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -36.147956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.147956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.147956 (E_RNA)
where:
Base-Base interactions energy: -13.108
where: short stacking energy: -13.108
Base-Backbone interact. energy: -0.038
local terms energy: -23.001576
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -5.128
flat angles C4'-P-C4' energy: -3.685
flat angles P-C4'-P energy: -5.385
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: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -46.822826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.822826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.822826 (E_RNA)
where:
Base-Base interactions energy: -22.177
where: short stacking energy: -22.177
Base-Backbone interact. energy: -0.001
local terms energy: -24.644468
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -4.652
flat angles P-C4'-P energy: -2.928
tors. eta vs tors. theta energy: -4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -46.778783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.778783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.778783 (E_RNA)
where:
Base-Base interactions energy: -23.428
where: short stacking energy: -23.428
Base-Backbone interact. energy: -0.018
local terms energy: -23.333186
where:
bonds (distance) C4'-P energy: -2.918
bonds (distance) P-C4' energy: -5.248
flat angles C4'-P-C4' energy: -6.252
flat angles P-C4'-P energy: -3.956
tors. eta vs tors. theta energy: -4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -47.655048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.655048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.655048 (E_RNA)
where:
Base-Base interactions energy: -20.942
where: short stacking energy: -20.942
Base-Backbone interact. energy: -0.000
local terms energy: -26.713264
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -5.380
flat angles P-C4'-P energy: -3.808
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -47.397082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.397082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.397082 (E_RNA)
where:
Base-Base interactions energy: -21.653
where: short stacking energy: -21.653
Base-Backbone interact. energy: -0.000
local terms energy: -25.744183
where:
bonds (distance) C4'-P energy: -4.682
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -5.464
flat angles P-C4'-P energy: -4.675
tors. eta vs tors. theta energy: -5.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -40.493307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.493307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.493307 (E_RNA)
where:
Base-Base interactions energy: -14.716
where: short stacking energy: -14.716
Base-Backbone interact. energy: -0.000
local terms energy: -25.777388
where:
bonds (distance) C4'-P energy: -5.145
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.985
flat angles P-C4'-P energy: -4.939
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: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -41.737684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.737684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.737684 (E_RNA)
where:
Base-Base interactions energy: -19.200
where: short stacking energy: -18.349
Base-Backbone interact. energy: -0.001
local terms energy: -22.536767
where:
bonds (distance) C4'-P energy: -3.982
bonds (distance) P-C4' energy: -5.748
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: -2.754
tors. eta vs tors. theta energy: -4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -36.977000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.977000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.977000 (E_RNA)
where:
Base-Base interactions energy: -14.080
where: short stacking energy: -10.140
Base-Backbone interact. energy: -0.090
local terms energy: -22.807549
where:
bonds (distance) C4'-P energy: -3.957
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -5.674
flat angles P-C4'-P energy: -2.483
tors. eta vs tors. theta energy: -4.043
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: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -38.917639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.917639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.917639 (E_RNA)
where:
Base-Base interactions energy: -17.005
where: short stacking energy: -17.005
Base-Backbone interact. energy: -0.000
local terms energy: -21.913113
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -5.469
flat angles C4'-P-C4' energy: -2.849
flat angles P-C4'-P energy: -3.837
tors. eta vs tors. theta energy: -4.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -33.069415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.069415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.069415 (E_RNA)
where:
Base-Base interactions energy: -13.503
where: short stacking energy: -13.503
Base-Backbone interact. energy: -0.088
local terms energy: -19.478520
where:
bonds (distance) C4'-P energy: -4.619
bonds (distance) P-C4' energy: -5.065
flat angles C4'-P-C4' energy: -3.987
flat angles P-C4'-P energy: -2.748
tors. eta vs tors. theta energy: -3.060
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: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -31.998788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.998788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.998788 (E_RNA)
where:
Base-Base interactions energy: -11.188
where: short stacking energy: -11.188
Base-Backbone interact. energy: -0.018
local terms energy: -20.792478
where:
bonds (distance) C4'-P energy: -2.640
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.552
flat angles P-C4'-P energy: -1.689
tors. eta vs tors. theta energy: -3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -52.709434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.709434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.709434 (E_RNA)
where:
Base-Base interactions energy: -29.515
where: short stacking energy: -17.073
Base-Backbone interact. energy: -0.037
local terms energy: -23.157200
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -5.758
flat angles C4'-P-C4' energy: -5.494
flat angles P-C4'-P energy: -3.654
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -49.604546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.604546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.604546 (E_RNA)
where:
Base-Base interactions energy: -22.250
where: short stacking energy: -22.250
Base-Backbone interact. energy: -0.000
local terms energy: -27.354261
where:
bonds (distance) C4'-P energy: -6.139
bonds (distance) P-C4' energy: -4.681
flat angles C4'-P-C4' energy: -4.189
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -6.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -44.163162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.163162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.163162 (E_RNA)
where:
Base-Base interactions energy: -20.681
where: short stacking energy: -20.681
Base-Backbone interact. energy: -0.001
local terms energy: -23.481617
where:
bonds (distance) C4'-P energy: -5.286
bonds (distance) P-C4' energy: -5.763
flat angles C4'-P-C4' energy: -2.815
flat angles P-C4'-P energy: -2.855
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: 4, replica: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -42.769696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.769696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.769696 (E_RNA)
where:
Base-Base interactions energy: -20.315
where: short stacking energy: -20.315
Base-Backbone interact. energy: -0.000
local terms energy: -22.454329
where:
bonds (distance) C4'-P energy: -4.019
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.586
flat angles P-C4'-P energy: -3.251
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: 5, replica: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -38.267537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.267537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.267537 (E_RNA)
where:
Base-Base interactions energy: -17.191
where: short stacking energy: -10.213
Base-Backbone interact. energy: -0.095
local terms energy: -20.981234
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -4.420
flat angles C4'-P-C4' energy: -4.934
flat angles P-C4'-P energy: -2.048
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -46.551977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.551977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.551977 (E_RNA)
where:
Base-Base interactions energy: -22.052
where: short stacking energy: -22.052
Base-Backbone interact. energy: -0.000
local terms energy: -24.499466
where:
bonds (distance) C4'-P energy: -4.797
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -4.752
flat angles P-C4'-P energy: -4.589
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: 7, replica: 7
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -36.806512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.806512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.806512 (E_RNA)
where:
Base-Base interactions energy: -17.473
where: short stacking energy: -17.473
Base-Backbone interact. energy: -0.001
local terms energy: -19.332824
where:
bonds (distance) C4'-P energy: -4.673
bonds (distance) P-C4' energy: -3.708
flat angles C4'-P-C4' energy: -4.119
flat angles P-C4'-P energy: -2.249
tors. eta vs tors. theta energy: -4.583
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: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -39.652265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.652265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.652265 (E_RNA)
where:
Base-Base interactions energy: -20.864
where: short stacking energy: -20.864
Base-Backbone interact. energy: -0.020
local terms energy: -18.768452
where:
bonds (distance) C4'-P energy: -4.264
bonds (distance) P-C4' energy: -4.902
flat angles C4'-P-C4' energy: -1.670
flat angles P-C4'-P energy: -4.732
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: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -32.915419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.915419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.915419 (E_RNA)
where:
Base-Base interactions energy: -13.400
where: short stacking energy: -13.400
Base-Backbone interact. energy: -0.086
local terms energy: -19.429271
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -5.868
flat angles C4'-P-C4' energy: -3.664
flat angles P-C4'-P energy: -1.966
tors. eta vs tors. theta energy: -2.406
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: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -30.748667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.748667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.748667 (E_RNA)
where:
Base-Base interactions energy: -9.293
where: short stacking energy: -8.843
Base-Backbone interact. energy: -0.157
local terms energy: -21.298205
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.318
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -0.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -47.462972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.462972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.462972 (E_RNA)
where:
Base-Base interactions energy: -22.653
where: short stacking energy: -22.653
Base-Backbone interact. energy: -0.000
local terms energy: -24.810044
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -5.279
flat angles C4'-P-C4' energy: -5.884
flat angles P-C4'-P energy: -2.831
tors. eta vs tors. theta energy: -5.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -48.487738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.487738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.487738 (E_RNA)
where:
Base-Base interactions energy: -22.066
where: short stacking energy: -22.066
Base-Backbone interact. energy: -0.002
local terms energy: -26.419245
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -5.677
flat angles C4'-P-C4' energy: -5.671
flat angles P-C4'-P energy: -4.806
tors. eta vs tors. theta energy: -4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -46.091737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.091737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.091737 (E_RNA)
where:
Base-Base interactions energy: -21.321
where: short stacking energy: -21.321
Base-Backbone interact. energy: -0.000
local terms energy: -24.770454
where:
bonds (distance) C4'-P energy: -4.400
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -5.481
flat angles P-C4'-P energy: -3.158
tors. eta vs tors. theta energy: -6.367
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: 2
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -39.081580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.081580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.081580 (E_RNA)
where:
Base-Base interactions energy: -17.780
where: short stacking energy: -17.780
Base-Backbone interact. energy: -0.002
local terms energy: -21.299916
where:
bonds (distance) C4'-P energy: -3.771
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.366
flat angles P-C4'-P energy: -2.413
tors. eta vs tors. theta energy: -3.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -44.442900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.442900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.442900 (E_RNA)
where:
Base-Base interactions energy: -19.539
where: short stacking energy: -19.539
Base-Backbone interact. energy: -0.000
local terms energy: -24.903405
where:
bonds (distance) C4'-P energy: -3.742
bonds (distance) P-C4' energy: -5.152
flat angles C4'-P-C4' energy: -6.328
flat angles P-C4'-P energy: -4.739
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -36.007425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.007425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.007425 (E_RNA)
where:
Base-Base interactions energy: -15.800
where: short stacking energy: -15.800
Base-Backbone interact. energy: -0.000
local terms energy: -20.207865
where:
bonds (distance) C4'-P energy: -4.230
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.450
flat angles P-C4'-P energy: -0.345
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -37.791169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.791169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.791169 (E_RNA)
where:
Base-Base interactions energy: -13.577
where: short stacking energy: -13.577
Base-Backbone interact. energy: -0.000
local terms energy: -24.213774
where:
bonds (distance) C4'-P energy: -5.650
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.920
flat angles P-C4'-P energy: -2.460
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: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -35.979146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.979146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.979146 (E_RNA)
where:
Base-Base interactions energy: -11.511
where: short stacking energy: -11.511
Base-Backbone interact. energy: -0.011
local terms energy: -24.456819
where:
bonds (distance) C4'-P energy: -5.100
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -6.328
flat angles P-C4'-P energy: -3.857
tors. eta vs tors. theta energy: -4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -27.336163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.336163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.336163 (E_RNA)
where:
Base-Base interactions energy: -8.003
where: short stacking energy: -4.248
Base-Backbone interact. energy: 0.731
local terms energy: -20.063755
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -5.529
flat angles P-C4'-P energy: -1.719
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: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -34.774316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.774316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.774316 (E_RNA)
where:
Base-Base interactions energy: -13.441
where: short stacking energy: -13.441
Base-Backbone interact. energy: -0.000
local terms energy: -21.333762
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -5.730
flat angles C4'-P-C4' energy: -4.794
flat angles P-C4'-P energy: -2.278
tors. eta vs tors. theta energy: -3.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -42.527321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.527321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.527321 (E_RNA)
where:
Base-Base interactions energy: -19.587
where: short stacking energy: -6.870
Base-Backbone interact. energy: -0.779
local terms energy: -22.161619
where:
bonds (distance) C4'-P energy: -5.037
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -4.803
flat angles P-C4'-P energy: -4.877
tors. eta vs tors. theta energy: -1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -46.147509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.147509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.147509 (E_RNA)
where:
Base-Base interactions energy: -18.950
where: short stacking energy: -18.950
Base-Backbone interact. energy: -0.000
local terms energy: -27.197317
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -6.850
flat angles P-C4'-P energy: -3.889
tors. eta vs tors. theta energy: -4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -49.015860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.015860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.015860 (E_RNA)
where:
Base-Base interactions energy: -21.908
where: short stacking energy: -21.908
Base-Backbone interact. energy: -0.000
local terms energy: -27.107504
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -3.879
flat angles P-C4'-P energy: -3.987
tors. eta vs tors. theta energy: -6.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -44.202789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.202789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.202789 (E_RNA)
where:
Base-Base interactions energy: -20.391
where: short stacking energy: -20.391
Base-Backbone interact. energy: -0.000
local terms energy: -23.811939
where:
bonds (distance) C4'-P energy: -3.236
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -4.328
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: -5.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -39.903002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.903002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.903002 (E_RNA)
where:
Base-Base interactions energy: -14.517
where: short stacking energy: -14.517
Base-Backbone interact. energy: -0.000
local terms energy: -25.386105
where:
bonds (distance) C4'-P energy: -5.029
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -5.761
flat angles P-C4'-P energy: -3.658
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -40.689799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.689799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.689799 (E_RNA)
where:
Base-Base interactions energy: -16.305
where: short stacking energy: -16.305
Base-Backbone interact. energy: -0.005
local terms energy: -24.379148
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -5.279
flat angles C4'-P-C4' energy: -4.585
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -5.306
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: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -45.485779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.485779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.485779 (E_RNA)
where:
Base-Base interactions energy: -17.977
where: short stacking energy: -17.977
Base-Backbone interact. energy: -0.000
local terms energy: -27.509081
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -5.921
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -5.184
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: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -38.023757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.023757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.023757 (E_RNA)
where:
Base-Base interactions energy: -13.849
where: short stacking energy: -12.797
Base-Backbone interact. energy: -0.000
local terms energy: -24.174429
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -5.560
flat angles C4'-P-C4' energy: -5.872
flat angles P-C4'-P energy: -3.176
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: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -35.022047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.022047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.022047 (E_RNA)
where:
Base-Base interactions energy: -16.030
where: short stacking energy: -16.030
Base-Backbone interact. energy: -0.002
local terms energy: -18.990329
where:
bonds (distance) C4'-P energy: -4.070
bonds (distance) P-C4' energy: -4.181
flat angles C4'-P-C4' energy: -5.747
flat angles P-C4'-P energy: -3.439
tors. eta vs tors. theta energy: -1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -38.698287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.698287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.698287 (E_RNA)
where:
Base-Base interactions energy: -13.960
where: short stacking energy: -13.960
Base-Backbone interact. energy: -0.000
local terms energy: -24.738369
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -5.569
flat angles C4'-P-C4' energy: -4.588
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -48.000384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.000384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.000384 (E_RNA)
where:
Base-Base interactions energy: -23.251
where: short stacking energy: -23.251
Base-Backbone interact. energy: -0.000
local terms energy: -24.749008
where:
bonds (distance) C4'-P energy: -3.858
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.391
flat angles P-C4'-P energy: -4.607
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: 2, replica: 1
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -49.050678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.050678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.050678 (E_RNA)
where:
Base-Base interactions energy: -21.307
where: short stacking energy: -21.307
Base-Backbone interact. energy: -0.000
local terms energy: -27.742932
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -5.674
flat angles C4'-P-C4' energy: -3.552
flat angles P-C4'-P energy: -5.252
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: 3, replica: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -39.360445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.360445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.360445 (E_RNA)
where:
Base-Base interactions energy: -18.551
where: short stacking energy: -13.596
Base-Backbone interact. energy: -0.002
local terms energy: -20.807550
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -4.333
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: 0.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -42.004275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.004275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.004275 (E_RNA)
where:
Base-Base interactions energy: -18.613
where: short stacking energy: -18.613
Base-Backbone interact. energy: 0.763
local terms energy: -24.153928
where:
bonds (distance) C4'-P energy: -5.141
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -4.418
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -42.207448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.207448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.207448 (E_RNA)
where:
Base-Base interactions energy: -24.278
where: short stacking energy: -13.631
Base-Backbone interact. energy: -0.007
local terms energy: -17.922884
where:
bonds (distance) C4'-P energy: -4.392
bonds (distance) P-C4' energy: -5.083
flat angles C4'-P-C4' energy: -5.053
flat angles P-C4'-P energy: -2.721
tors. eta vs tors. theta energy: -0.674
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: 6, replica: 2
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -35.456595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.456595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.456595 (E_RNA)
where:
Base-Base interactions energy: -15.887
where: short stacking energy: -12.445
Base-Backbone interact. energy: -0.000
local terms energy: -19.569270
where:
bonds (distance) C4'-P energy: -5.277
bonds (distance) P-C4' energy: -4.920
flat angles C4'-P-C4' energy: -2.393
flat angles P-C4'-P energy: -3.915
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -35.069900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.069900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.069900 (E_RNA)
where:
Base-Base interactions energy: -12.258
where: short stacking energy: -12.258
Base-Backbone interact. energy: -0.002
local terms energy: -22.810223
where:
bonds (distance) C4'-P energy: -2.909
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -6.175
flat angles P-C4'-P energy: -2.969
tors. eta vs tors. theta energy: -4.375
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: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -38.596311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.596311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.596311 (E_RNA)
where:
Base-Base interactions energy: -16.073
where: short stacking energy: -16.073
Base-Backbone interact. energy: -0.000
local terms energy: -22.522855
where:
bonds (distance) C4'-P energy: -4.276
bonds (distance) P-C4' energy: -5.991
flat angles C4'-P-C4' energy: -3.562
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -4.088
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: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -31.273812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.273812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.273812 (E_RNA)
where:
Base-Base interactions energy: -8.073
where: short stacking energy: -8.073
Base-Backbone interact. energy: -0.100
local terms energy: -23.101256
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.138
flat angles P-C4'-P energy: -4.345
tors. eta vs tors. theta energy: -1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -38.466934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.466934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.466934 (E_RNA)
where:
Base-Base interactions energy: -19.251
where: short stacking energy: -8.056
Base-Backbone interact. energy: -0.033
local terms energy: -19.183097
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -4.059
flat angles C4'-P-C4' energy: -6.376
flat angles P-C4'-P energy: -2.966
tors. eta vs tors. theta energy: 0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -51.752521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.752521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.752521 (E_RNA)
where:
Base-Base interactions energy: -23.349
where: short stacking energy: -23.349
Base-Backbone interact. energy: -0.000
local terms energy: -28.403336
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -3.862
flat angles P-C4'-P energy: -4.620
tors. eta vs tors. theta energy: -7.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -45.081684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.081684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.081684 (E_RNA)
where:
Base-Base interactions energy: -18.950
where: short stacking energy: -17.219
Base-Backbone interact. energy: -0.000
local terms energy: -26.131400
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.183
flat angles P-C4'-P energy: -3.350
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -46.757660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.757660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.757660 (E_RNA)
where:
Base-Base interactions energy: -23.340
where: short stacking energy: -13.542
Base-Backbone interact. energy: -0.032
local terms energy: -23.385161
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -1.971
flat angles P-C4'-P energy: -4.501
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: 4, replica: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -41.073396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.073396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.073396 (E_RNA)
where:
Base-Base interactions energy: -14.762
where: short stacking energy: -14.762
Base-Backbone interact. energy: -0.000
local terms energy: -26.311785
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -5.853
flat angles P-C4'-P energy: -4.362
tors. eta vs tors. theta energy: -4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -53.673817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.673817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.673817 (E_RNA)
where:
Base-Base interactions energy: -33.866
where: short stacking energy: -15.499
Base-Backbone interact. energy: -0.395
local terms energy: -19.413288
where:
bonds (distance) C4'-P energy: -4.624
bonds (distance) P-C4' energy: -5.892
flat angles C4'-P-C4' energy: -4.391
flat angles P-C4'-P energy: -3.345
tors. eta vs tors. theta energy: -1.162
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: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -40.580710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.580710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.580710 (E_RNA)
where:
Base-Base interactions energy: -18.243
where: short stacking energy: -18.243
Base-Backbone interact. energy: -0.000
local terms energy: -22.337909
where:
bonds (distance) C4'-P energy: -1.958
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -6.232
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -4.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -34.694682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.694682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.694682 (E_RNA)
where:
Base-Base interactions energy: -12.181
where: short stacking energy: -12.181
Base-Backbone interact. energy: -0.076
local terms energy: -22.437843
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -6.522
flat angles P-C4'-P energy: -2.325
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -36.139800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.139800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.139800 (E_RNA)
where:
Base-Base interactions energy: -13.484
where: short stacking energy: -13.484
Base-Backbone interact. energy: -0.003
local terms energy: -22.653395
where:
bonds (distance) C4'-P energy: -4.996
bonds (distance) P-C4' energy: -4.850
flat angles C4'-P-C4' energy: -5.219
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -35.265903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.265903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.265903 (E_RNA)
where:
Base-Base interactions energy: -14.500
where: short stacking energy: -14.500
Base-Backbone interact. energy: -0.003
local terms energy: -20.763177
where:
bonds (distance) C4'-P energy: -3.150
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -3.821
flat angles P-C4'-P energy: -4.239
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -33.559013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.559013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.559013 (E_RNA)
where:
Base-Base interactions energy: -8.677
where: short stacking energy: -8.677
Base-Backbone interact. energy: -0.002
local terms energy: -24.879966
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.041
flat angles P-C4'-P energy: -4.174
tors. eta vs tors. theta energy: -2.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -47.230295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.230295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.230295 (E_RNA)
where:
Base-Base interactions energy: -22.537
where: short stacking energy: -22.537
Base-Backbone interact. energy: -0.002
local terms energy: -24.691084
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -4.357
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -48.197426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.197426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.197426 (E_RNA)
where:
Base-Base interactions energy: -22.718
where: short stacking energy: -22.718
Base-Backbone interact. energy: -0.000
local terms energy: -25.479106
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.675
flat angles P-C4'-P energy: -2.827
tors. eta vs tors. theta energy: -6.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -42.736483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.736483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.736483 (E_RNA)
where:
Base-Base interactions energy: -17.780
where: short stacking energy: -17.780
Base-Backbone interact. energy: -0.005
local terms energy: -24.952165
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -4.486
flat angles P-C4'-P energy: -4.087
tors. eta vs tors. theta energy: -4.719
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: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -41.618509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.618509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.618509 (E_RNA)
where:
Base-Base interactions energy: -19.510
where: short stacking energy: -19.510
Base-Backbone interact. energy: -0.000
local terms energy: -22.108242
where:
bonds (distance) C4'-P energy: -4.863
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -4.230
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -41.230245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.230245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.230245 (E_RNA)
where:
Base-Base interactions energy: -19.699
where: short stacking energy: -19.699
Base-Backbone interact. energy: -0.000
local terms energy: -21.531088
where:
bonds (distance) C4'-P energy: -4.541
bonds (distance) P-C4' energy: -3.322
flat angles C4'-P-C4' energy: -5.321
flat angles P-C4'-P energy: -2.748
tors. eta vs tors. theta energy: -5.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -39.315205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.315205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.315205 (E_RNA)
where:
Base-Base interactions energy: -14.463
where: short stacking energy: -14.463
Base-Backbone interact. energy: -0.000
local terms energy: -24.852547
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -5.579
flat angles C4'-P-C4' energy: -4.950
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -4.725
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: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -37.123055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.123055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.123055 (E_RNA)
where:
Base-Base interactions energy: -14.707
where: short stacking energy: -7.243
Base-Backbone interact. energy: -0.037
local terms energy: -22.378950
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.104
flat angles P-C4'-P energy: -2.464
tors. eta vs tors. theta energy: -1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -34.611410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.611410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.611410 (E_RNA)
where:
Base-Base interactions energy: -10.987
where: short stacking energy: -10.987
Base-Backbone interact. energy: -0.048
local terms energy: -23.576071
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.279
flat angles C4'-P-C4' energy: -5.242
flat angles P-C4'-P energy: -3.471
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -34.126813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.126813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.126813 (E_RNA)
where:
Base-Base interactions energy: -12.314
where: short stacking energy: -12.314
Base-Backbone interact. energy: -0.000
local terms energy: -21.813206
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.194
flat angles P-C4'-P energy: -3.273
tors. eta vs tors. theta energy: -1.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -32.888672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.888672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.888672 (E_RNA)
where:
Base-Base interactions energy: -13.720
where: short stacking energy: -13.720
Base-Backbone interact. energy: -0.000
local terms energy: -19.168813
where:
bonds (distance) C4'-P energy: -3.468
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -6.348
flat angles P-C4'-P energy: -0.346
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -52.313872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.313872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.313872 (E_RNA)
where:
Base-Base interactions energy: -24.403
where: short stacking energy: -24.403
Base-Backbone interact. energy: -0.000
local terms energy: -27.910637
where:
bonds (distance) C4'-P energy: -5.634
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.580
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -42.629803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.629803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.629803 (E_RNA)
where:
Base-Base interactions energy: -20.204
where: short stacking energy: -20.204
Base-Backbone interact. energy: -0.015
local terms energy: -22.411030
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.702
flat angles P-C4'-P energy: -4.318
tors. eta vs tors. theta energy: -1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -47.872608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.872608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.872608 (E_RNA)
where:
Base-Base interactions energy: -20.872
where: short stacking energy: -20.872
Base-Backbone interact. energy: -0.000
local terms energy: -27.000842
where:
bonds (distance) C4'-P energy: -4.434
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -3.445
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -42.806895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.806895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.806895 (E_RNA)
where:
Base-Base interactions energy: -19.124
where: short stacking energy: -19.124
Base-Backbone interact. energy: -0.005
local terms energy: -23.678172
where:
bonds (distance) C4'-P energy: -5.543
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -4.948
flat angles P-C4'-P energy: -2.836
tors. eta vs tors. theta energy: -3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -43.806813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.806813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.806813 (E_RNA)
where:
Base-Base interactions energy: -20.414
where: short stacking energy: -20.414
Base-Backbone interact. energy: -0.001
local terms energy: -23.391583
where:
bonds (distance) C4'-P energy: -4.223
bonds (distance) P-C4' energy: -5.945
flat angles C4'-P-C4' energy: -3.496
flat angles P-C4'-P energy: -4.759
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -49.726777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.726777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.726777 (E_RNA)
where:
Base-Base interactions energy: -23.781
where: short stacking energy: -23.781
Base-Backbone interact. energy: -0.000
local terms energy: -25.945808
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -5.073
flat angles C4'-P-C4' energy: -5.145
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: -6.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -37.186095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.186095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.186095 (E_RNA)
where:
Base-Base interactions energy: -16.922
where: short stacking energy: -16.922
Base-Backbone interact. energy: -0.002
local terms energy: -20.261960
where:
bonds (distance) C4'-P energy: -2.534
bonds (distance) P-C4' energy: -5.840
flat angles C4'-P-C4' energy: -3.750
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: -3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -35.794449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.794449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.794449 (E_RNA)
where:
Base-Base interactions energy: -12.114
where: short stacking energy: -12.114
Base-Backbone interact. energy: -0.000
local terms energy: -23.680943
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.552
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -36.792765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.792765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.792765 (E_RNA)
where:
Base-Base interactions energy: -14.185
where: short stacking energy: -14.185
Base-Backbone interact. energy: -0.015
local terms energy: -22.593104
where:
bonds (distance) C4'-P energy: -5.244
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -4.481
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -32.484461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.484461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.484461 (E_RNA)
where:
Base-Base interactions energy: -11.156
where: short stacking energy: -11.156
Base-Backbone interact. energy: -0.000
local terms energy: -21.328449
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.388
flat angles P-C4'-P energy: -0.131
tors. eta vs tors. theta energy: -3.221
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: 428
Temperature: 0.900000
Total energy: -52.750204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.750204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.750204 (E_RNA)
where:
Base-Base interactions energy: -22.539
where: short stacking energy: -22.539
Base-Backbone interact. energy: -0.000
local terms energy: -30.211297
where:
bonds (distance) C4'-P energy: -5.100
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.902
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -42.217667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.217667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.217667 (E_RNA)
where:
Base-Base interactions energy: -19.265
where: short stacking energy: -19.265
Base-Backbone interact. energy: 0.111
local terms energy: -23.063980
where:
bonds (distance) C4'-P energy: -4.682
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.548
flat angles P-C4'-P energy: -4.427
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: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -45.682184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.682184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.682184 (E_RNA)
where:
Base-Base interactions energy: -23.360
where: short stacking energy: -17.011
Base-Backbone interact. energy: -0.003
local terms energy: -22.319213
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -5.970
flat angles C4'-P-C4' energy: -5.734
flat angles P-C4'-P energy: -2.867
tors. eta vs tors. theta energy: -1.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -41.633683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.633683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.633683 (E_RNA)
where:
Base-Base interactions energy: -17.386
where: short stacking energy: -17.386
Base-Backbone interact. energy: -0.000
local terms energy: -24.248162
where:
bonds (distance) C4'-P energy: -4.406
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.195
flat angles P-C4'-P energy: -4.457
tors. eta vs tors. theta energy: -3.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -41.620418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.620418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.620418 (E_RNA)
where:
Base-Base interactions energy: -17.564
where: short stacking energy: -17.564
Base-Backbone interact. energy: 0.403
local terms energy: -24.459725
where:
bonds (distance) C4'-P energy: -5.025
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.319
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: -3.474
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: 6, replica: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -47.051133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.051133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.051133 (E_RNA)
where:
Base-Base interactions energy: -21.680
where: short stacking energy: -21.680
Base-Backbone interact. energy: -0.000
local terms energy: -25.371154
where:
bonds (distance) C4'-P energy: -4.007
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -5.354
flat angles P-C4'-P energy: -2.889
tors. eta vs tors. theta energy: -7.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -36.504402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.504402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.504402 (E_RNA)
where:
Base-Base interactions energy: -15.128
where: short stacking energy: -13.967
Base-Backbone interact. energy: -0.001
local terms energy: -21.376042
where:
bonds (distance) C4'-P energy: -5.100
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.669
flat angles P-C4'-P energy: -2.512
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -35.742867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.742867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.742867 (E_RNA)
where:
Base-Base interactions energy: -12.384
where: short stacking energy: -12.384
Base-Backbone interact. energy: -0.000
local terms energy: -23.358724
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -5.093
flat angles P-C4'-P energy: -3.262
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -35.488025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.488025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.488025 (E_RNA)
where:
Base-Base interactions energy: -17.891
where: short stacking energy: -13.995
Base-Backbone interact. energy: -0.863
local terms energy: -16.734099
where:
bonds (distance) C4'-P energy: -3.440
bonds (distance) P-C4' energy: -4.650
flat angles C4'-P-C4' energy: -5.232
flat angles P-C4'-P energy: -1.220
tors. eta vs tors. theta energy: -2.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -32.153864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.153864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.153864 (E_RNA)
where:
Base-Base interactions energy: -12.269
where: short stacking energy: -12.269
Base-Backbone interact. energy: -0.119
local terms energy: -19.765501
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.355
flat angles P-C4'-P energy: -2.636
tors. eta vs tors. theta energy: -0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -51.225564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.225564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.225564 (E_RNA)
where:
Base-Base interactions energy: -21.502
where: short stacking energy: -21.502
Base-Backbone interact. energy: -0.000
local terms energy: -29.723863
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -6.574
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -7.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -47.239794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.239794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.239794 (E_RNA)
where:
Base-Base interactions energy: -22.412
where: short stacking energy: -22.412
Base-Backbone interact. energy: -0.000
local terms energy: -24.827846
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -4.184
flat angles P-C4'-P energy: -3.998
tors. eta vs tors. theta energy: -5.594
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: 6
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -47.571442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.571442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.571442 (E_RNA)
where:
Base-Base interactions energy: -23.064
where: short stacking energy: -23.064
Base-Backbone interact. energy: -0.000
local terms energy: -24.506977
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -5.610
flat angles C4'-P-C4' energy: -4.743
flat angles P-C4'-P energy: -1.979
tors. eta vs tors. theta energy: -6.674
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: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -42.372179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.372179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.372179 (E_RNA)
where:
Base-Base interactions energy: -16.446
where: short stacking energy: -16.446
Base-Backbone interact. energy: -0.100
local terms energy: -25.826069
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -5.281
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: -4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -37.890964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.890964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.890964 (E_RNA)
where:
Base-Base interactions energy: -17.072
where: short stacking energy: -17.072
Base-Backbone interact. energy: -0.000
local terms energy: -20.818942
where:
bonds (distance) C4'-P energy: -4.748
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -3.495
flat angles P-C4'-P energy: -3.850
tors. eta vs tors. theta energy: -2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -35.885967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.885967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.885967 (E_RNA)
where:
Base-Base interactions energy: -14.309
where: short stacking energy: -14.309
Base-Backbone interact. energy: -0.000
local terms energy: -21.576265
where:
bonds (distance) C4'-P energy: -4.863
bonds (distance) P-C4' energy: -5.991
flat angles C4'-P-C4' energy: -3.414
flat angles P-C4'-P energy: -2.187
tors. eta vs tors. theta energy: -5.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -34.307749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.307749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.307749 (E_RNA)
where:
Base-Base interactions energy: -17.134
where: short stacking energy: -17.134
Base-Backbone interact. energy: -0.075
local terms energy: -17.098711
where:
bonds (distance) C4'-P energy: -2.272
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -2.623
flat angles P-C4'-P energy: -4.051
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: 8, replica: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -37.606516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.606516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.606516 (E_RNA)
where:
Base-Base interactions energy: -14.806
where: short stacking energy: -14.806
Base-Backbone interact. energy: -0.135
local terms energy: -22.665580
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -4.161
flat angles P-C4'-P energy: -2.119
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -32.295565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.295565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.295565 (E_RNA)
where:
Base-Base interactions energy: -13.626
where: short stacking energy: -11.668
Base-Backbone interact. energy: -0.050
local terms energy: -18.619271
where:
bonds (distance) C4'-P energy: -4.454
bonds (distance) P-C4' energy: -4.684
flat angles C4'-P-C4' energy: -6.413
flat angles P-C4'-P energy: -4.081
tors. eta vs tors. theta energy: 1.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -37.246610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.246610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.246610 (E_RNA)
where:
Base-Base interactions energy: -14.116
where: short stacking energy: -14.116
Base-Backbone interact. energy: -0.001
local terms energy: -23.128749
where:
bonds (distance) C4'-P energy: -4.922
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -1.968
flat angles P-C4'-P energy: -3.748
tors. eta vs tors. theta energy: -5.580
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: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -51.391690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.391690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.391690 (E_RNA)
where:
Base-Base interactions energy: -21.045
where: short stacking energy: -21.045
Base-Backbone interact. energy: -0.031
local terms energy: -30.315012
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -6.766
flat angles P-C4'-P energy: -4.603
tors. eta vs tors. theta energy: -6.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -42.821915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.821915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.821915 (E_RNA)
where:
Base-Base interactions energy: -21.058
where: short stacking energy: -12.897
Base-Backbone interact. energy: 0.194
local terms energy: -21.958112
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -5.273
flat angles C4'-P-C4' energy: -3.154
flat angles P-C4'-P energy: -3.964
tors. eta vs tors. theta energy: -3.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -53.331711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.331711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.331711 (E_RNA)
where:
Base-Base interactions energy: -28.713
where: short stacking energy: -18.076
Base-Backbone interact. energy: -0.001
local terms energy: -24.617772
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.177
flat angles C4'-P-C4' energy: -5.338
flat angles P-C4'-P energy: -2.850
tors. eta vs tors. theta energy: -5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -40.791524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.791524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.791524 (E_RNA)
where:
Base-Base interactions energy: -15.898
where: short stacking energy: -15.898
Base-Backbone interact. energy: -0.001
local terms energy: -24.892941
where:
bonds (distance) C4'-P energy: -4.789
bonds (distance) P-C4' energy: -5.255
flat angles C4'-P-C4' energy: -5.621
flat angles P-C4'-P energy: -3.640
tors. eta vs tors. theta energy: -5.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -38.478373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.478373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.478373 (E_RNA)
where:
Base-Base interactions energy: -18.436
where: short stacking energy: -18.436
Base-Backbone interact. energy: -0.000
local terms energy: -20.042673
where:
bonds (distance) C4'-P energy: -4.275
bonds (distance) P-C4' energy: -4.269
flat angles C4'-P-C4' energy: -3.778
flat angles P-C4'-P energy: -4.604
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: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -44.979808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.979808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.979808 (E_RNA)
where:
Base-Base interactions energy: -24.094
where: short stacking energy: -9.045
Base-Backbone interact. energy: -0.016
local terms energy: -20.870227
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.295
flat angles P-C4'-P energy: -1.284
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: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -33.424018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.424018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.424018 (E_RNA)
where:
Base-Base interactions energy: -12.591
where: short stacking energy: -12.591
Base-Backbone interact. energy: -0.103
local terms energy: -20.730020
where:
bonds (distance) C4'-P energy: -4.401
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -5.461
flat angles P-C4'-P energy: -3.170
tors. eta vs tors. theta energy: -1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -33.652738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.652738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.652738 (E_RNA)
where:
Base-Base interactions energy: -12.973
where: short stacking energy: -12.973
Base-Backbone interact. energy: -0.003
local terms energy: -20.677491
where:
bonds (distance) C4'-P energy: -4.516
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -4.405
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -31.252946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.252946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.252946 (E_RNA)
where:
Base-Base interactions energy: -10.181
where: short stacking energy: -10.181
Base-Backbone interact. energy: 0.146
local terms energy: -21.218146
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -3.518
flat angles P-C4'-P energy: -3.999
tors. eta vs tors. theta energy: -0.696
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: 10, replica: 4
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -35.703708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.703708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.703708 (E_RNA)
where:
Base-Base interactions energy: -10.719
where: short stacking energy: -10.719
Base-Backbone interact. energy: -0.038
local terms energy: -24.947254
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -5.639
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: -2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -53.063538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.063538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.063538 (E_RNA)
where:
Base-Base interactions energy: -30.405
where: short stacking energy: -19.062
Base-Backbone interact. energy: -0.003
local terms energy: -22.655636
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -5.945
flat angles C4'-P-C4' energy: -5.288
flat angles P-C4'-P energy: -2.794
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: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -42.445856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.445856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.445856 (E_RNA)
where:
Base-Base interactions energy: -23.536
where: short stacking energy: -9.412
Base-Backbone interact. energy: -0.247
local terms energy: -18.662216
where:
bonds (distance) C4'-P energy: -5.037
bonds (distance) P-C4' energy: -5.233
flat angles C4'-P-C4' energy: -3.550
flat angles P-C4'-P energy: -3.096
tors. eta vs tors. theta energy: -1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -54.466063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.466063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.466063 (E_RNA)
where:
Base-Base interactions energy: -30.084
where: short stacking energy: -19.567
Base-Backbone interact. energy: -0.000
local terms energy: -24.381488
where:
bonds (distance) C4'-P energy: -5.481
bonds (distance) P-C4' energy: -5.537
flat angles C4'-P-C4' energy: -5.349
flat angles P-C4'-P energy: -3.212
tors. eta vs tors. theta energy: -4.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -42.895692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.895692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.895692 (E_RNA)
where:
Base-Base interactions energy: -19.880
where: short stacking energy: -18.924
Base-Backbone interact. energy: -0.099
local terms energy: -22.916735
where:
bonds (distance) C4'-P energy: -5.501
bonds (distance) P-C4' energy: -5.916
flat angles C4'-P-C4' energy: -5.841
flat angles P-C4'-P energy: -1.644
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: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -39.618901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.618901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.618901 (E_RNA)
where:
Base-Base interactions energy: -17.573
where: short stacking energy: -17.573
Base-Backbone interact. energy: -0.000
local terms energy: -22.046197
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -4.043
flat angles P-C4'-P energy: -2.019
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -32.871894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.871894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.871894 (E_RNA)
where:
Base-Base interactions energy: -12.578
where: short stacking energy: -7.099
Base-Backbone interact. energy: -0.109
local terms energy: -20.184521
where:
bonds (distance) C4'-P energy: -3.965
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -4.930
flat angles P-C4'-P energy: -4.176
tors. eta vs tors. theta energy: -0.207
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: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -41.854300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.854300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.854300 (E_RNA)
where:
Base-Base interactions energy: -18.686
where: short stacking energy: -18.686
Base-Backbone interact. energy: -0.000
local terms energy: -23.167917
where:
bonds (distance) C4'-P energy: -4.711
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -4.961
flat angles P-C4'-P energy: -2.457
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -36.876002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.876002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.876002 (E_RNA)
where:
Base-Base interactions energy: -14.177
where: short stacking energy: -9.230
Base-Backbone interact. energy: -0.000
local terms energy: -22.698706
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -6.111
flat angles P-C4'-P energy: -3.965
tors. eta vs tors. theta energy: -1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -33.518459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.518459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.518459 (E_RNA)
where:
Base-Base interactions energy: -12.737
where: short stacking energy: -12.737
Base-Backbone interact. energy: -0.174
local terms energy: -20.607778
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -3.511
flat angles P-C4'-P energy: -2.934
tors. eta vs tors. theta energy: -2.880
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: 4
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -30.323432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.323432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.323432 (E_RNA)
where:
Base-Base interactions energy: -14.719
where: short stacking energy: -14.719
Base-Backbone interact. energy: -0.000
local terms energy: -15.603818
where:
bonds (distance) C4'-P energy: -2.438
bonds (distance) P-C4' energy: -2.367
flat angles C4'-P-C4' energy: -5.304
flat angles P-C4'-P energy: -2.599
tors. eta vs tors. theta energy: -2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -52.271524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.271524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.271524 (E_RNA)
where:
Base-Base interactions energy: -25.971
where: short stacking energy: -25.971
Base-Backbone interact. energy: -0.000
local terms energy: -26.299980
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -5.083
flat angles C4'-P-C4' energy: -5.372
flat angles P-C4'-P energy: -3.340
tors. eta vs tors. theta energy: -6.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -45.765681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.765681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.765681 (E_RNA)
where:
Base-Base interactions energy: -20.946
where: short stacking energy: -20.946
Base-Backbone interact. energy: -0.002
local terms energy: -24.817147
where:
bonds (distance) C4'-P energy: -2.910
bonds (distance) P-C4' energy: -5.258
flat angles C4'-P-C4' energy: -5.126
flat angles P-C4'-P energy: -4.428
tors. eta vs tors. theta energy: -7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -49.766956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.766956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.766956 (E_RNA)
where:
Base-Base interactions energy: -26.561
where: short stacking energy: -18.817
Base-Backbone interact. energy: -0.000
local terms energy: -23.206052
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -4.420
flat angles C4'-P-C4' energy: -5.786
flat angles P-C4'-P energy: -2.490
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: 4, replica: 6
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -47.182243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.182243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.182243 (E_RNA)
where:
Base-Base interactions energy: -21.837
where: short stacking energy: -21.837
Base-Backbone interact. energy: -0.000
local terms energy: -25.345387
where:
bonds (distance) C4'-P energy: -5.141
bonds (distance) P-C4' energy: -5.441
flat angles C4'-P-C4' energy: -5.497
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -4.553
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: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -40.575028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.575028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.575028 (E_RNA)
where:
Base-Base interactions energy: -15.421
where: short stacking energy: -15.421
Base-Backbone interact. energy: -0.000
local terms energy: -25.154187
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.378
flat angles P-C4'-P energy: -4.914
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: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -46.630795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.630795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.630795 (E_RNA)
where:
Base-Base interactions energy: -28.083
where: short stacking energy: -17.011
Base-Backbone interact. energy: -0.002
local terms energy: -18.545919
where:
bonds (distance) C4'-P energy: -2.951
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.864
flat angles P-C4'-P energy: -1.395
tors. eta vs tors. theta energy: -3.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -36.760896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.760896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.760896 (E_RNA)
where:
Base-Base interactions energy: -16.131
where: short stacking energy: -12.564
Base-Backbone interact. energy: -0.040
local terms energy: -20.589936
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -1.809
flat angles P-C4'-P energy: -3.467
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -39.434626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.434626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.434626 (E_RNA)
where:
Base-Base interactions energy: -21.087
where: short stacking energy: -11.467
Base-Backbone interact. energy: -0.030
local terms energy: -18.317816
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -4.553
flat angles P-C4'-P energy: -4.156
tors. eta vs tors. theta energy: 1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -34.115791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.115791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.115791 (E_RNA)
where:
Base-Base interactions energy: -11.241
where: short stacking energy: -11.241
Base-Backbone interact. energy: -0.015
local terms energy: -22.859407
where:
bonds (distance) C4'-P energy: -1.397
bonds (distance) P-C4' energy: -5.110
flat angles C4'-P-C4' energy: -5.410
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -5.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -32.449555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.449555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.449555 (E_RNA)
where:
Base-Base interactions energy: -13.626
where: short stacking energy: -13.626
Base-Backbone interact. energy: -0.003
local terms energy: -18.821187
where:
bonds (distance) C4'-P energy: -3.387
bonds (distance) P-C4' energy: -4.333
flat angles C4'-P-C4' energy: -4.783
flat angles P-C4'-P energy: -2.280
tors. eta vs tors. theta energy: -4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -51.843062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.843062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.843062 (E_RNA)
where:
Base-Base interactions energy: -24.407
where: short stacking energy: -24.407
Base-Backbone interact. energy: -0.000
local terms energy: -27.436262
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -5.439
flat angles P-C4'-P energy: -2.840
tors. eta vs tors. theta energy: -7.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -40.755346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.755346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.755346 (E_RNA)
where:
Base-Base interactions energy: -17.107
where: short stacking energy: -17.107
Base-Backbone interact. energy: -0.001
local terms energy: -23.647837
where:
bonds (distance) C4'-P energy: -4.388
bonds (distance) P-C4' energy: -5.677
flat angles C4'-P-C4' energy: -5.516
flat angles P-C4'-P energy: -5.252
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: 3, replica: 5
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -42.063238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.063238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.063238 (E_RNA)
where:
Base-Base interactions energy: -14.440
where: short stacking energy: -14.440
Base-Backbone interact. energy: -0.001
local terms energy: -27.622085
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.149
flat angles C4'-P-C4' energy: -6.061
flat angles P-C4'-P energy: -5.287
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -45.916207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.916207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.916207 (E_RNA)
where:
Base-Base interactions energy: -22.849
where: short stacking energy: -22.849
Base-Backbone interact. energy: -0.000
local terms energy: -23.067368
where:
bonds (distance) C4'-P energy: -3.572
bonds (distance) P-C4' energy: -6.131
flat angles C4'-P-C4' energy: -5.922
flat angles P-C4'-P energy: -1.459
tors. eta vs tors. theta energy: -5.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -46.512808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.512808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.512808 (E_RNA)
where:
Base-Base interactions energy: -17.973
where: short stacking energy: -16.403
Base-Backbone interact. energy: -0.000
local terms energy: -28.539562
where:
bonds (distance) C4'-P energy: -4.669
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -6.186
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: -5.235
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: 9
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -41.659090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.659090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.659090 (E_RNA)
where:
Base-Base interactions energy: -18.016
where: short stacking energy: -18.016
Base-Backbone interact. energy: -0.000
local terms energy: -23.643122
where:
bonds (distance) C4'-P energy: -2.612
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.826
flat angles P-C4'-P energy: -3.095
tors. eta vs tors. theta energy: -5.203
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: -37.789727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.789727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.789727 (E_RNA)
where:
Base-Base interactions energy: -18.636
where: short stacking energy: -16.067
Base-Backbone interact. energy: -0.003
local terms energy: -19.150182
where:
bonds (distance) C4'-P energy: -4.019
bonds (distance) P-C4' energy: -4.416
flat angles C4'-P-C4' energy: -3.071
flat angles P-C4'-P energy: -3.943
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: 8, replica: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -34.326457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.326457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.326457 (E_RNA)
where:
Base-Base interactions energy: -12.322
where: short stacking energy: -12.322
Base-Backbone interact. energy: -0.016
local terms energy: -21.988177
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -6.585
flat angles P-C4'-P energy: -2.353
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: 9, replica: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -36.133070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.133070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.133070 (E_RNA)
where:
Base-Base interactions energy: -15.141
where: short stacking energy: -15.141
Base-Backbone interact. energy: -0.019
local terms energy: -20.972696
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -5.506
flat angles C4'-P-C4' energy: -5.273
flat angles P-C4'-P energy: -1.513
tors. eta vs tors. theta energy: -3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -36.676414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.676414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.676414 (E_RNA)
where:
Base-Base interactions energy: -17.161
where: short stacking energy: -17.161
Base-Backbone interact. energy: -0.000
local terms energy: -19.515740
where:
bonds (distance) C4'-P energy: -4.161
bonds (distance) P-C4' energy: -4.107
flat angles C4'-P-C4' energy: -5.260
flat angles P-C4'-P energy: -1.648
tors. eta vs tors. theta energy: -4.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -55.792757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.792757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.792757 (E_RNA)
where:
Base-Base interactions energy: -27.833
where: short stacking energy: -12.350
Base-Backbone interact. energy: -0.016
local terms energy: -27.943686
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.219
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -47.633475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.633475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.633475 (E_RNA)
where:
Base-Base interactions energy: -21.091
where: short stacking energy: -21.091
Base-Backbone interact. energy: -0.000
local terms energy: -26.542968
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -5.803
flat angles P-C4'-P energy: -4.203
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: 3, replica: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -47.525733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.525733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.525733 (E_RNA)
where:
Base-Base interactions energy: -22.093
where: short stacking energy: -22.093
Base-Backbone interact. energy: -0.029
local terms energy: -25.404223
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -6.307
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -5.049
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: 4, replica: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -49.547115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.547115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.547115 (E_RNA)
where:
Base-Base interactions energy: -23.748
where: short stacking energy: -23.748
Base-Backbone interact. energy: -0.023
local terms energy: -25.776549
where:
bonds (distance) C4'-P energy: -4.238
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -5.300
flat angles P-C4'-P energy: -4.923
tors. eta vs tors. theta energy: -4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -33.908430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.908430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.908430 (E_RNA)
where:
Base-Base interactions energy: -11.972
where: short stacking energy: -11.972
Base-Backbone interact. energy: -0.001
local terms energy: -21.934765
where:
bonds (distance) C4'-P energy: -3.601
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.108
flat angles P-C4'-P energy: -2.382
tors. eta vs tors. theta energy: -2.940
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: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -45.184879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.184879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.184879 (E_RNA)
where:
Base-Base interactions energy: -21.182
where: short stacking energy: -21.182
Base-Backbone interact. energy: -0.000
local terms energy: -24.002831
where:
bonds (distance) C4'-P energy: -3.733
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -4.965
flat angles P-C4'-P energy: -3.421
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: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -38.142110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.142110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.142110 (E_RNA)
where:
Base-Base interactions energy: -17.867
where: short stacking energy: -9.996
Base-Backbone interact. energy: -0.017
local terms energy: -20.257806
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -5.122
flat angles C4'-P-C4' energy: -5.386
flat angles P-C4'-P energy: -2.463
tors. eta vs tors. theta energy: -1.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -33.615505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.615505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.615505 (E_RNA)
where:
Base-Base interactions energy: -15.420
where: short stacking energy: -11.711
Base-Backbone interact. energy: -0.003
local terms energy: -18.192436
where:
bonds (distance) C4'-P energy: -4.238
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -0.924
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -2.309
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: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -34.398063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.398063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.398063 (E_RNA)
where:
Base-Base interactions energy: -15.464
where: short stacking energy: -15.464
Base-Backbone interact. energy: -0.049
local terms energy: -18.884897
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -3.356
flat angles C4'-P-C4' energy: -4.721
flat angles P-C4'-P energy: -3.620
tors. eta vs tors. theta energy: -1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -36.728348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.728348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.728348 (E_RNA)
where:
Base-Base interactions energy: -13.847
where: short stacking energy: -13.847
Base-Backbone interact. energy: -0.011
local terms energy: -22.870204
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.070
flat angles P-C4'-P energy: -4.376
tors. eta vs tors. theta energy: -0.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -53.012675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.012675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.012675 (E_RNA)
where:
Base-Base interactions energy: -24.483
where: short stacking energy: -24.483
Base-Backbone interact. energy: -0.000
local terms energy: -28.529643
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -5.607
flat angles C4'-P-C4' energy: -6.402
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -43.068302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.068302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.068302 (E_RNA)
where:
Base-Base interactions energy: -19.584
where: short stacking energy: -19.584
Base-Backbone interact. energy: -0.000
local terms energy: -23.483920
where:
bonds (distance) C4'-P energy: -4.880
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.557
flat angles P-C4'-P energy: -4.702
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: 3, replica: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -43.277195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.277195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.277195 (E_RNA)
where:
Base-Base interactions energy: -15.687
where: short stacking energy: -15.687
Base-Backbone interact. energy: -0.000
local terms energy: -27.590061
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -5.827
flat angles P-C4'-P energy: -4.048
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -42.844986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.844986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.844986 (E_RNA)
where:
Base-Base interactions energy: -17.852
where: short stacking energy: -16.474
Base-Backbone interact. energy: -1.395
local terms energy: -23.597358
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.199
flat angles P-C4'-P energy: -2.801
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -44.055323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.055323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.055323 (E_RNA)
where:
Base-Base interactions energy: -20.056
where: short stacking energy: -20.056
Base-Backbone interact. energy: -0.000
local terms energy: -23.998797
where:
bonds (distance) C4'-P energy: -3.319
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.181
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -3.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -41.290389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.290389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.290389 (E_RNA)
where:
Base-Base interactions energy: -16.311
where: short stacking energy: -16.311
Base-Backbone interact. energy: -0.000
local terms energy: -24.979147
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.068
flat angles C4'-P-C4' energy: -5.404
flat angles P-C4'-P energy: -3.767
tors. eta vs tors. theta energy: -4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -31.951624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.951624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.951624 (E_RNA)
where:
Base-Base interactions energy: -12.083
where: short stacking energy: -12.083
Base-Backbone interact. energy: -0.001
local terms energy: -19.867819
where:
bonds (distance) C4'-P energy: -5.047
bonds (distance) P-C4' energy: -4.593
flat angles C4'-P-C4' energy: -5.643
flat angles P-C4'-P energy: -2.716
tors. eta vs tors. theta energy: -1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -36.660477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.660477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.660477 (E_RNA)
where:
Base-Base interactions energy: -14.259
where: short stacking energy: -4.543
Base-Backbone interact. energy: -0.018
local terms energy: -22.383700
where:
bonds (distance) C4'-P energy: -6.168
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -4.825
flat angles P-C4'-P energy: -4.963
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: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -36.821564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.821564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.821564 (E_RNA)
where:
Base-Base interactions energy: -17.011
where: short stacking energy: -17.011
Base-Backbone interact. energy: -0.003
local terms energy: -19.807839
where:
bonds (distance) C4'-P energy: -5.315
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.246
flat angles P-C4'-P energy: -2.391
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: 10, replica: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -30.003925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.003925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.003925 (E_RNA)
where:
Base-Base interactions energy: -10.404
where: short stacking energy: -10.404
Base-Backbone interact. energy: -0.001
local terms energy: -19.599196
where:
bonds (distance) C4'-P energy: -4.499
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -5.373
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: 0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -47.944795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.944795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.944795 (E_RNA)
where:
Base-Base interactions energy: -24.282
where: short stacking energy: -12.297
Base-Backbone interact. energy: -0.003
local terms energy: -23.660042
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -6.044
flat angles P-C4'-P energy: -3.610
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -38.589928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.589928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.589928 (E_RNA)
where:
Base-Base interactions energy: -15.977
where: short stacking energy: -15.977
Base-Backbone interact. energy: -0.014
local terms energy: -22.598941
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -4.803
flat angles P-C4'-P energy: -3.872
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: 3, replica: 9
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -44.451847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.451847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.451847 (E_RNA)
where:
Base-Base interactions energy: -22.518
where: short stacking energy: -13.555
Base-Backbone interact. energy: -0.020
local terms energy: -21.913983
where:
bonds (distance) C4'-P energy: -3.738
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.699
flat angles P-C4'-P energy: -2.265
tors. eta vs tors. theta energy: -3.569
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: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -40.870675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.870675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.870675 (E_RNA)
where:
Base-Base interactions energy: -16.945
where: short stacking energy: -16.945
Base-Backbone interact. energy: -0.000
local terms energy: -23.925933
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.527
flat angles P-C4'-P energy: -1.800
tors. eta vs tors. theta energy: -5.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -44.779994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.779994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.779994 (E_RNA)
where:
Base-Base interactions energy: -24.208
where: short stacking energy: -14.454
Base-Backbone interact. energy: -0.008
local terms energy: -20.564307
where:
bonds (distance) C4'-P energy: -3.128
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -2.322
flat angles P-C4'-P energy: -3.943
tors. eta vs tors. theta energy: -4.267
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: 436
Temperature: 1.150000
Total energy: -39.794188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.794188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.794188 (E_RNA)
where:
Base-Base interactions energy: -16.932
where: short stacking energy: -16.932
Base-Backbone interact. energy: -0.000
local terms energy: -22.861986
where:
bonds (distance) C4'-P energy: -5.982
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.287
flat angles P-C4'-P energy: -1.738
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: 7, replica: 8
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -38.475574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.475574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.475574 (E_RNA)
where:
Base-Base interactions energy: -15.096
where: short stacking energy: -15.096
Base-Backbone interact. energy: -0.067
local terms energy: -23.313050
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -6.030
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -37.519405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.519405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.519405 (E_RNA)
where:
Base-Base interactions energy: -15.889
where: short stacking energy: -15.889
Base-Backbone interact. energy: -0.005
local terms energy: -21.625428
where:
bonds (distance) C4'-P energy: -5.104
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -4.977
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -37.360292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.360292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.360292 (E_RNA)
where:
Base-Base interactions energy: -17.858
where: short stacking energy: -8.212
Base-Backbone interact. energy: -0.003
local terms energy: -19.499434
where:
bonds (distance) C4'-P energy: -5.295
bonds (distance) P-C4' energy: -6.206
flat angles C4'-P-C4' energy: -4.542
flat angles P-C4'-P energy: -3.418
tors. eta vs tors. theta energy: -0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -28.635982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.635982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.635982 (E_RNA)
where:
Base-Base interactions energy: -10.763
where: short stacking energy: -10.763
Base-Backbone interact. energy: -0.018
local terms energy: -17.854913
where:
bonds (distance) C4'-P energy: -1.867
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.387
flat angles P-C4'-P energy: -4.142
tors. eta vs tors. theta energy: 0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -54.596587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.596587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.596587 (E_RNA)
where:
Base-Base interactions energy: -25.257
where: short stacking energy: -25.257
Base-Backbone interact. energy: -0.000
local terms energy: -29.339315
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -5.226
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -41.712420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.712420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.712420 (E_RNA)
where:
Base-Base interactions energy: -16.461
where: short stacking energy: -16.461
Base-Backbone interact. energy: -0.007
local terms energy: -25.244010
where:
bonds (distance) C4'-P energy: -5.125
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.721
flat angles P-C4'-P energy: -3.060
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -52.423574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.423574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.423574 (E_RNA)
where:
Base-Base interactions energy: -26.337
where: short stacking energy: -26.337
Base-Backbone interact. energy: -0.000
local terms energy: -26.086959
where:
bonds (distance) C4'-P energy: -3.734
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -3.790
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -6.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -45.863329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.863329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.863329 (E_RNA)
where:
Base-Base interactions energy: -20.763
where: short stacking energy: -9.382
Base-Backbone interact. energy: -0.637
local terms energy: -24.463073
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.896
flat angles C4'-P-C4' energy: -5.762
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -43.482132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.482132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.482132 (E_RNA)
where:
Base-Base interactions energy: -19.363
where: short stacking energy: -17.525
Base-Backbone interact. energy: -0.004
local terms energy: -24.115115
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -5.985
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -1.698
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: 8
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -38.853759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.853759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.853759 (E_RNA)
where:
Base-Base interactions energy: -12.040
where: short stacking energy: -12.040
Base-Backbone interact. energy: -0.000
local terms energy: -26.813299
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -6.098
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -35.735535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.735535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.735535 (E_RNA)
where:
Base-Base interactions energy: -13.089
where: short stacking energy: -13.089
Base-Backbone interact. energy: -0.001
local terms energy: -22.646239
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -4.398
flat angles C4'-P-C4' energy: -4.954
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -3.348
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: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -34.029689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.029689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.029689 (E_RNA)
where:
Base-Base interactions energy: -10.960
where: short stacking energy: -10.960
Base-Backbone interact. energy: 0.099
local terms energy: -23.168158
where:
bonds (distance) C4'-P energy: -4.347
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -6.150
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -0.608
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: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -36.846485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.846485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.846485 (E_RNA)
where:
Base-Base interactions energy: -14.548
where: short stacking energy: -14.548
Base-Backbone interact. energy: 0.018
local terms energy: -22.315575
where:
bonds (distance) C4'-P energy: -3.866
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -3.476
flat angles P-C4'-P energy: -3.466
tors. eta vs tors. theta energy: -5.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -31.686646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.686646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.686646 (E_RNA)
where:
Base-Base interactions energy: -9.623
where: short stacking energy: -9.623
Base-Backbone interact. energy: -0.054
local terms energy: -22.009873
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.082
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -4.176
tors. eta vs tors. theta energy: -2.262
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: 438
Temperature: 0.900000
Total energy: -55.188057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.188057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.188057 (E_RNA)
where:
Base-Base interactions energy: -24.344
where: short stacking energy: -24.344
Base-Backbone interact. energy: -0.000
local terms energy: -30.843707
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -5.889
flat angles C4'-P-C4' energy: -5.886
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -8.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -44.515249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.515249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.515249 (E_RNA)
where:
Base-Base interactions energy: -19.870
where: short stacking energy: -19.870
Base-Backbone interact. energy: -0.000
local terms energy: -24.645323
where:
bonds (distance) C4'-P energy: -4.086
bonds (distance) P-C4' energy: -4.621
flat angles C4'-P-C4' energy: -6.098
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -41.213300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.213300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.213300 (E_RNA)
where:
Base-Base interactions energy: -17.742
where: short stacking energy: -13.366
Base-Backbone interact. energy: -0.115
local terms energy: -23.356045
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.430
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -1.338
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: 438
Temperature: 1.050000
Total energy: -47.449068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.449068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.449068 (E_RNA)
where:
Base-Base interactions energy: -26.989
where: short stacking energy: -19.829
Base-Backbone interact. energy: -0.094
local terms energy: -20.365949
where:
bonds (distance) C4'-P energy: -3.195
bonds (distance) P-C4' energy: -6.128
flat angles C4'-P-C4' energy: -5.212
flat angles P-C4'-P energy: -4.383
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: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -43.479052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.479052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.479052 (E_RNA)
where:
Base-Base interactions energy: -18.526
where: short stacking energy: -18.526
Base-Backbone interact. energy: -0.044
local terms energy: -24.909757
where:
bonds (distance) C4'-P energy: -5.393
bonds (distance) P-C4' energy: -5.436
flat angles C4'-P-C4' energy: -5.065
flat angles P-C4'-P energy: -4.430
tors. eta vs tors. theta energy: -4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -41.899571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.899571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.899571 (E_RNA)
where:
Base-Base interactions energy: -17.885
where: short stacking energy: -17.885
Base-Backbone interact. energy: -0.000
local terms energy: -24.014967
where:
bonds (distance) C4'-P energy: -3.650
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.514
flat angles P-C4'-P energy: -2.778
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: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -40.714377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.714377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.714377 (E_RNA)
where:
Base-Base interactions energy: -17.998
where: short stacking energy: -11.677
Base-Backbone interact. energy: -0.254
local terms energy: -22.461867
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.103
flat angles C4'-P-C4' energy: -3.971
flat angles P-C4'-P energy: -3.323
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -32.848402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.848402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.848402 (E_RNA)
where:
Base-Base interactions energy: -10.423
where: short stacking energy: -10.423
Base-Backbone interact. energy: -0.012
local terms energy: -22.412886
where:
bonds (distance) C4'-P energy: -4.508
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -6.587
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -0.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -32.533435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.533435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.533435 (E_RNA)
where:
Base-Base interactions energy: -10.957
where: short stacking energy: -10.957
Base-Backbone interact. energy: 0.556
local terms energy: -22.132894
where:
bonds (distance) C4'-P energy: -3.449
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -4.908
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -1.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -33.189647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.189647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.189647 (E_RNA)
where:
Base-Base interactions energy: -15.160
where: short stacking energy: -15.160
Base-Backbone interact. energy: -0.008
local terms energy: -18.021952
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -3.618
flat angles P-C4'-P energy: -0.363
tors. eta vs tors. theta energy: -1.570
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: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -52.428742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.428742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.428742 (E_RNA)
where:
Base-Base interactions energy: -22.160
where: short stacking energy: -22.160
Base-Backbone interact. energy: -0.000
local terms energy: -30.268947
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.552
flat angles P-C4'-P energy: -4.369
tors. eta vs tors. theta energy: -7.437
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: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -45.387576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.387576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.387576 (E_RNA)
where:
Base-Base interactions energy: -20.898
where: short stacking energy: -20.898
Base-Backbone interact. energy: -0.000
local terms energy: -24.489243
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -4.843
flat angles P-C4'-P energy: -1.438
tors. eta vs tors. theta energy: -5.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -47.683101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.683101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.683101 (E_RNA)
where:
Base-Base interactions energy: -20.519
where: short stacking energy: -20.519
Base-Backbone interact. energy: -0.000
local terms energy: -27.164441
where:
bonds (distance) C4'-P energy: -4.362
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.046
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -50.683992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.683992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.683992 (E_RNA)
where:
Base-Base interactions energy: -29.792
where: short stacking energy: -12.187
Base-Backbone interact. energy: -0.100
local terms energy: -20.792335
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -3.907
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: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -43.508512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.508512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.508512 (E_RNA)
where:
Base-Base interactions energy: -18.036
where: short stacking energy: -11.525
Base-Backbone interact. energy: -0.072
local terms energy: -25.400269
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.703
flat angles P-C4'-P energy: -5.006
tors. eta vs tors. theta energy: -1.793
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: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -40.392333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.392333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.392333 (E_RNA)
where:
Base-Base interactions energy: -19.659
where: short stacking energy: -6.132
Base-Backbone interact. energy: -0.008
local terms energy: -20.724940
where:
bonds (distance) C4'-P energy: -4.863
bonds (distance) P-C4' energy: -5.671
flat angles C4'-P-C4' energy: -6.141
flat angles P-C4'-P energy: -2.511
tors. eta vs tors. theta energy: -1.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -33.275368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.275368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.275368 (E_RNA)
where:
Base-Base interactions energy: -11.142
where: short stacking energy: -7.167
Base-Backbone interact. energy: -0.010
local terms energy: -22.124066
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.044
flat angles P-C4'-P energy: -4.907
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: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -41.890841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.890841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.890841 (E_RNA)
where:
Base-Base interactions energy: -16.352
where: short stacking energy: -16.352
Base-Backbone interact. energy: -0.001
local terms energy: -25.536895
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -5.125
flat angles P-C4'-P energy: -4.596
tors. eta vs tors. theta energy: -5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -37.424000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.424000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.424000 (E_RNA)
where:
Base-Base interactions energy: -15.948
where: short stacking energy: -15.948
Base-Backbone interact. energy: -0.003
local terms energy: -21.473802
where:
bonds (distance) C4'-P energy: -3.353
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -5.938
flat angles P-C4'-P energy: -4.489
tors. eta vs tors. theta energy: -2.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -30.760723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.760723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.760723 (E_RNA)
where:
Base-Base interactions energy: -9.377
where: short stacking energy: -9.377
Base-Backbone interact. energy: -0.057
local terms energy: -21.326777
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -6.077
flat angles P-C4'-P energy: -3.244
tors. eta vs tors. theta energy: -0.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -45.612446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.612446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.612446 (E_RNA)
where:
Base-Base interactions energy: -22.553
where: short stacking energy: -22.553
Base-Backbone interact. energy: -0.000
local terms energy: -23.059227
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -3.722
flat angles P-C4'-P energy: -4.921
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: 2, replica: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -40.755675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.755675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.755675 (E_RNA)
where:
Base-Base interactions energy: -17.838
where: short stacking energy: -17.838
Base-Backbone interact. energy: -0.000
local terms energy: -22.916788
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.861
flat angles C4'-P-C4' energy: -4.532
flat angles P-C4'-P energy: -3.352
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -43.678123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.678123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.678123 (E_RNA)
where:
Base-Base interactions energy: -17.574
where: short stacking energy: -17.574
Base-Backbone interact. energy: -0.001
local terms energy: -26.103423
where:
bonds (distance) C4'-P energy: -4.430
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -6.165
flat angles P-C4'-P energy: -3.973
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: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -48.249153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.249153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.249153 (E_RNA)
where:
Base-Base interactions energy: -21.388
where: short stacking energy: -21.388
Base-Backbone interact. energy: -0.000
local terms energy: -26.861030
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -4.437
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -43.868322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.868322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.868322 (E_RNA)
where:
Base-Base interactions energy: -19.697
where: short stacking energy: -19.697
Base-Backbone interact. energy: -0.000
local terms energy: -24.171020
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -3.616
flat angles P-C4'-P energy: -2.777
tors. eta vs tors. theta energy: -5.839
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: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -41.538078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.538078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.538078 (E_RNA)
where:
Base-Base interactions energy: -17.549
where: short stacking energy: -17.549
Base-Backbone interact. energy: -0.000
local terms energy: -23.988880
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.737
flat angles P-C4'-P energy: -2.480
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -41.735601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.735601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.735601 (E_RNA)
where:
Base-Base interactions energy: -17.425
where: short stacking energy: -17.425
Base-Backbone interact. energy: -0.000
local terms energy: -24.310378
where:
bonds (distance) C4'-P energy: -2.732
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.711
flat angles P-C4'-P energy: -4.595
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -32.501267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.501267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.501267 (E_RNA)
where:
Base-Base interactions energy: -10.545
where: short stacking energy: -10.328
Base-Backbone interact. energy: -0.001
local terms energy: -21.955532
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -5.215
flat angles P-C4'-P energy: -3.827
tors. eta vs tors. theta energy: -2.031
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: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -33.475003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.475003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.475003 (E_RNA)
where:
Base-Base interactions energy: -13.357
where: short stacking energy: -8.374
Base-Backbone interact. energy: -0.000
local terms energy: -20.117953
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -2.623
flat angles P-C4'-P energy: -3.439
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: 10, replica: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -34.649443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.649443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.649443 (E_RNA)
where:
Base-Base interactions energy: -13.544
where: short stacking energy: -13.544
Base-Backbone interact. energy: -0.000
local terms energy: -21.105249
where:
bonds (distance) C4'-P energy: -4.996
bonds (distance) P-C4' energy: -4.892
flat angles C4'-P-C4' energy: -4.383
flat angles P-C4'-P energy: -5.174
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -49.517355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.517355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.517355 (E_RNA)
where:
Base-Base interactions energy: -22.684
where: short stacking energy: -22.684
Base-Backbone interact. energy: -0.007
local terms energy: -26.826782
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.987
flat angles P-C4'-P energy: -3.958
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -49.154609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.154609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.154609 (E_RNA)
where:
Base-Base interactions energy: -21.152
where: short stacking energy: -21.152
Base-Backbone interact. energy: -0.000
local terms energy: -28.002910
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -6.661
flat angles P-C4'-P energy: -4.896
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -43.223681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.223681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.223681 (E_RNA)
where:
Base-Base interactions energy: -20.974
where: short stacking energy: -20.974
Base-Backbone interact. energy: -0.000
local terms energy: -22.249583
where:
bonds (distance) C4'-P energy: -1.627
bonds (distance) P-C4' energy: -4.172
flat angles C4'-P-C4' energy: -6.505
flat angles P-C4'-P energy: -4.580
tors. eta vs tors. theta energy: -5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -38.387015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.387015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.387015 (E_RNA)
where:
Base-Base interactions energy: -17.578
where: short stacking energy: -17.578
Base-Backbone interact. energy: -0.000
local terms energy: -20.809286
where:
bonds (distance) C4'-P energy: -3.555
bonds (distance) P-C4' energy: -4.782
flat angles C4'-P-C4' energy: -4.834
flat angles P-C4'-P energy: -3.909
tors. eta vs tors. theta energy: -3.729
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: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -44.435998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.435998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.435998 (E_RNA)
where:
Base-Base interactions energy: -18.369
where: short stacking energy: -18.369
Base-Backbone interact. energy: -0.000
local terms energy: -26.067031
where:
bonds (distance) C4'-P energy: -5.435
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -2.961
flat angles P-C4'-P energy: -4.431
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: 6, replica: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -36.798709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.798709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.798709 (E_RNA)
where:
Base-Base interactions energy: -14.560
where: short stacking energy: -14.560
Base-Backbone interact. energy: -0.000
local terms energy: -22.238831
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.466
flat angles P-C4'-P energy: -2.772
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -35.632484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.632484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.632484 (E_RNA)
where:
Base-Base interactions energy: -13.403
where: short stacking energy: -11.540
Base-Backbone interact. energy: -0.000
local terms energy: -22.229032
where:
bonds (distance) C4'-P energy: -3.902
bonds (distance) P-C4' energy: -5.315
flat angles C4'-P-C4' energy: -5.328
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -37.731862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.731862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.731862 (E_RNA)
where:
Base-Base interactions energy: -17.523
where: short stacking energy: -6.302
Base-Backbone interact. energy: -0.036
local terms energy: -20.173176
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -6.409
flat angles P-C4'-P energy: -2.656
tors. eta vs tors. theta energy: 1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -38.455359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.455359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.455359 (E_RNA)
where:
Base-Base interactions energy: -16.011
where: short stacking energy: -5.463
Base-Backbone interact. energy: -0.038
local terms energy: -22.406930
where:
bonds (distance) C4'-P energy: -4.719
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -28.901027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.901027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.901027 (E_RNA)
where:
Base-Base interactions energy: -11.854
where: short stacking energy: -11.854
Base-Backbone interact. energy: -0.063
local terms energy: -16.984318
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -3.680
flat angles C4'-P-C4' energy: -2.390
flat angles P-C4'-P energy: -4.731
tors. eta vs tors. theta energy: -0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -45.724636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.724636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.724636 (E_RNA)
where:
Base-Base interactions energy: -21.929
where: short stacking energy: -21.929
Base-Backbone interact. energy: -0.163
local terms energy: -23.632510
where:
bonds (distance) C4'-P energy: -4.417
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.255
flat angles P-C4'-P energy: -3.766
tors. eta vs tors. theta energy: -2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -46.007351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.007351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.007351 (E_RNA)
where:
Base-Base interactions energy: -20.527
where: short stacking energy: -20.527
Base-Backbone interact. energy: -0.000
local terms energy: -25.480722
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -4.519
flat angles C4'-P-C4' energy: -6.573
flat angles P-C4'-P energy: -4.135
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: 3, replica: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -44.858434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.858434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.858434 (E_RNA)
where:
Base-Base interactions energy: -21.577
where: short stacking energy: -21.577
Base-Backbone interact. energy: -0.000
local terms energy: -23.281050
where:
bonds (distance) C4'-P energy: -5.597
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -5.211
flat angles P-C4'-P energy: -1.763
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -37.602665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.602665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.602665 (E_RNA)
where:
Base-Base interactions energy: -12.969
where: short stacking energy: -12.969
Base-Backbone interact. energy: -0.019
local terms energy: -24.614591
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.767
flat angles C4'-P-C4' energy: -3.759
flat angles P-C4'-P energy: -4.086
tors. eta vs tors. theta energy: -5.183
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: 5, replica: 4
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -42.139222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.139222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.139222 (E_RNA)
where:
Base-Base interactions energy: -15.130
where: short stacking energy: -15.130
Base-Backbone interact. energy: -0.017
local terms energy: -26.991859
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.369
flat angles P-C4'-P energy: -4.732
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: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -41.753421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.753421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.753421 (E_RNA)
where:
Base-Base interactions energy: -15.199
where: short stacking energy: -15.199
Base-Backbone interact. energy: -0.052
local terms energy: -26.502180
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.306
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -3.355
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: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -32.422084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.422084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.422084 (E_RNA)
where:
Base-Base interactions energy: -12.782
where: short stacking energy: -12.782
Base-Backbone interact. energy: -0.100
local terms energy: -19.540751
where:
bonds (distance) C4'-P energy: -3.593
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -3.534
flat angles P-C4'-P energy: -4.319
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: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -44.450444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.450444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.450444 (E_RNA)
where:
Base-Base interactions energy: -19.588
where: short stacking energy: -19.588
Base-Backbone interact. energy: -0.000
local terms energy: -24.862297
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -3.605
flat angles P-C4'-P energy: -4.127
tors. eta vs tors. theta energy: -4.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -31.330442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.330442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.330442 (E_RNA)
where:
Base-Base interactions energy: -12.792
where: short stacking energy: -12.792
Base-Backbone interact. energy: -0.100
local terms energy: -18.438825
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -4.614
flat angles C4'-P-C4' energy: -4.450
flat angles P-C4'-P energy: -3.061
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: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -27.981520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.981520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.981520 (E_RNA)
where:
Base-Base interactions energy: -8.644
where: short stacking energy: -8.644
Base-Backbone interact. energy: -0.094
local terms energy: -19.243754
where:
bonds (distance) C4'-P energy: -3.862
bonds (distance) P-C4' energy: -6.122
flat angles C4'-P-C4' energy: -4.622
flat angles P-C4'-P energy: -4.128
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: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -51.492291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.492291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.492291 (E_RNA)
where:
Base-Base interactions energy: -29.408
where: short stacking energy: -23.907
Base-Backbone interact. energy: 0.084
local terms energy: -22.168067
where:
bonds (distance) C4'-P energy: -3.676
bonds (distance) P-C4' energy: -5.656
flat angles C4'-P-C4' energy: -4.402
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: -3.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -42.182319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.182319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.182319 (E_RNA)
where:
Base-Base interactions energy: -14.774
where: short stacking energy: -14.774
Base-Backbone interact. energy: -0.000
local terms energy: -27.408257
where:
bonds (distance) C4'-P energy: -5.953
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -6.350
flat angles P-C4'-P energy: -4.675
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: 3, replica: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -49.690212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.690212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.690212 (E_RNA)
where:
Base-Base interactions energy: -20.630
where: short stacking energy: -20.630
Base-Backbone interact. energy: -0.000
local terms energy: -29.060592
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -5.261
flat angles P-C4'-P energy: -3.398
tors. eta vs tors. theta energy: -7.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -41.712597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.712597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.712597 (E_RNA)
where:
Base-Base interactions energy: -17.244
where: short stacking energy: -17.244
Base-Backbone interact. energy: -0.000
local terms energy: -24.468492
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -4.967
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: -4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -38.993256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.993256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.993256 (E_RNA)
where:
Base-Base interactions energy: -13.106
where: short stacking energy: -13.106
Base-Backbone interact. energy: -0.020
local terms energy: -25.866633
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -7.147
flat angles C4'-P-C4' energy: -5.903
flat angles P-C4'-P energy: -3.164
tors. eta vs tors. theta energy: -3.832
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: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -39.594556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.594556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.594556 (E_RNA)
where:
Base-Base interactions energy: -16.252
where: short stacking energy: -13.151
Base-Backbone interact. energy: -0.006
local terms energy: -23.336485
where:
bonds (distance) C4'-P energy: -5.510
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.763
flat angles P-C4'-P energy: -3.237
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: 7, replica: 7
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -32.970716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.970716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.970716 (E_RNA)
where:
Base-Base interactions energy: -11.985
where: short stacking energy: -9.741
Base-Backbone interact. energy: -0.002
local terms energy: -20.984458
where:
bonds (distance) C4'-P energy: -5.891
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.601
flat angles P-C4'-P energy: -1.817
tors. eta vs tors. theta energy: -0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -41.907523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.907523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.907523 (E_RNA)
where:
Base-Base interactions energy: -14.948
where: short stacking energy: -14.948
Base-Backbone interact. energy: -0.000
local terms energy: -26.959512
where:
bonds (distance) C4'-P energy: -4.983
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -38.505910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.505910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.505910 (E_RNA)
where:
Base-Base interactions energy: -14.317
where: short stacking energy: -14.317
Base-Backbone interact. energy: -0.201
local terms energy: -23.987707
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -5.959
flat angles P-C4'-P energy: -3.538
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: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -32.243275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.243275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.243275 (E_RNA)
where:
Base-Base interactions energy: -9.498
where: short stacking energy: -9.498
Base-Backbone interact. energy: -0.000
local terms energy: -22.745398
where:
bonds (distance) C4'-P energy: -3.576
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -5.392
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -48.155133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.155133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.155133 (E_RNA)
where:
Base-Base interactions energy: -19.393
where: short stacking energy: -19.393
Base-Backbone interact. energy: -0.003
local terms energy: -28.758987
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.460
flat angles C4'-P-C4' energy: -6.340
flat angles P-C4'-P energy: -4.680
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: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -48.993112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.993112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.993112 (E_RNA)
where:
Base-Base interactions energy: -21.072
where: short stacking energy: -21.072
Base-Backbone interact. energy: -0.000
local terms energy: -27.920978
where:
bonds (distance) C4'-P energy: -3.050
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -6.034
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -7.198
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: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -41.987942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.987942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.987942 (E_RNA)
where:
Base-Base interactions energy: -21.229
where: short stacking energy: -7.222
Base-Backbone interact. energy: -0.099
local terms energy: -20.660086
where:
bonds (distance) C4'-P energy: -5.278
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.706
flat angles P-C4'-P energy: -1.959
tors. eta vs tors. theta energy: -0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -42.140413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.140413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.140413 (E_RNA)
where:
Base-Base interactions energy: -16.735
where: short stacking energy: -16.735
Base-Backbone interact. energy: -0.017
local terms energy: -25.387597
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -6.002
flat angles P-C4'-P energy: -4.328
tors. eta vs tors. theta energy: -2.610
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: 5, replica: 9
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -42.263947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.263947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.263947 (E_RNA)
where:
Base-Base interactions energy: -18.123
where: short stacking energy: -18.123
Base-Backbone interact. energy: -0.000
local terms energy: -24.141233
where:
bonds (distance) C4'-P energy: -5.029
bonds (distance) P-C4' energy: -5.948
flat angles C4'-P-C4' energy: -3.890
flat angles P-C4'-P energy: -4.475
tors. eta vs tors. theta energy: -4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -44.245043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.245043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.245043 (E_RNA)
where:
Base-Base interactions energy: -23.933
where: short stacking energy: -14.173
Base-Backbone interact. energy: -0.000
local terms energy: -20.312078
where:
bonds (distance) C4'-P energy: -4.285
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -6.045
flat angles P-C4'-P energy: -1.485
tors. eta vs tors. theta energy: -2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -38.759735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.759735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.759735 (E_RNA)
where:
Base-Base interactions energy: -15.606
where: short stacking energy: -15.606
Base-Backbone interact. energy: -0.001
local terms energy: -23.152800
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -3.471
flat angles P-C4'-P energy: -3.744
tors. eta vs tors. theta energy: -2.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -35.078303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.078303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.078303 (E_RNA)
where:
Base-Base interactions energy: -12.273
where: short stacking energy: -12.273
Base-Backbone interact. energy: -0.001
local terms energy: -22.804439
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -2.700
flat angles P-C4'-P energy: -4.041
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: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -35.394573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.394573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.394573 (E_RNA)
where:
Base-Base interactions energy: -12.308
where: short stacking energy: -12.308
Base-Backbone interact. energy: -0.000
local terms energy: -23.086386
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -5.871
flat angles C4'-P-C4' energy: -5.485
flat angles P-C4'-P energy: -3.627
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -35.166511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.166511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.166511 (E_RNA)
where:
Base-Base interactions energy: -15.963
where: short stacking energy: -12.404
Base-Backbone interact. energy: -0.000
local terms energy: -19.203036
where:
bonds (distance) C4'-P energy: -2.098
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -5.079
flat angles P-C4'-P energy: -2.403
tors. eta vs tors. theta energy: -3.176
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: 10
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -53.264795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.264795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.264795 (E_RNA)
where:
Base-Base interactions energy: -27.957
where: short stacking energy: -13.319
Base-Backbone interact. energy: -0.078
local terms energy: -25.229354
where:
bonds (distance) C4'-P energy: -6.470
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -5.936
flat angles P-C4'-P energy: -4.044
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: 2, replica: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -50.974514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.974514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.974514 (E_RNA)
where:
Base-Base interactions energy: -27.181
where: short stacking energy: -18.707
Base-Backbone interact. energy: -0.000
local terms energy: -23.793293
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -4.582
flat angles C4'-P-C4' energy: -6.204
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -43.292328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.292328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.292328 (E_RNA)
where:
Base-Base interactions energy: -19.231
where: short stacking energy: -19.231
Base-Backbone interact. energy: -0.000
local terms energy: -24.061217
where:
bonds (distance) C4'-P energy: -3.331
bonds (distance) P-C4' energy: -5.969
flat angles C4'-P-C4' energy: -5.506
flat angles P-C4'-P energy: -4.594
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -46.945187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.945187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.945187 (E_RNA)
where:
Base-Base interactions energy: -20.985
where: short stacking energy: -19.097
Base-Backbone interact. energy: -1.054
local terms energy: -24.906351
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -5.351
flat angles P-C4'-P energy: -2.104
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: 5, replica: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -43.974573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.974573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.974573 (E_RNA)
where:
Base-Base interactions energy: -17.959
where: short stacking energy: -17.959
Base-Backbone interact. energy: -0.008
local terms energy: -26.007818
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -5.619
flat angles P-C4'-P energy: -3.757
tors. eta vs tors. theta energy: -5.372
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: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -40.031183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.031183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.031183 (E_RNA)
where:
Base-Base interactions energy: -15.274
where: short stacking energy: -15.274
Base-Backbone interact. energy: -0.009
local terms energy: -24.747679
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -5.955
flat angles P-C4'-P energy: -2.618
tors. eta vs tors. theta energy: -4.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -33.755765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.755765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.755765 (E_RNA)
where:
Base-Base interactions energy: -9.044
where: short stacking energy: -9.044
Base-Backbone interact. energy: -0.000
local terms energy: -24.711705
where:
bonds (distance) C4'-P energy: -4.735
bonds (distance) P-C4' energy: -5.336
flat angles C4'-P-C4' energy: -6.122
flat angles P-C4'-P energy: -4.693
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -40.051436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.051436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.051436 (E_RNA)
where:
Base-Base interactions energy: -14.242
where: short stacking energy: -11.545
Base-Backbone interact. energy: -0.005
local terms energy: -25.804159
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -4.793
flat angles C4'-P-C4' energy: -5.934
flat angles P-C4'-P energy: -4.725
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -31.145148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.145148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.145148 (E_RNA)
where:
Base-Base interactions energy: -11.647
where: short stacking energy: -11.647
Base-Backbone interact. energy: -0.016
local terms energy: -19.481897
where:
bonds (distance) C4'-P energy: -3.353
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.941
flat angles P-C4'-P energy: -2.781
tors. eta vs tors. theta energy: -0.768
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: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -33.543628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.543628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.543628 (E_RNA)
where:
Base-Base interactions energy: -8.939
where: short stacking energy: -8.939
Base-Backbone interact. energy: 0.482
local terms energy: -25.086022
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.564
flat angles P-C4'-P energy: -1.869
tors. eta vs tors. theta energy: -4.739
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: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -51.475628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.475628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.475628 (E_RNA)
where:
Base-Base interactions energy: -24.609
where: short stacking energy: -16.834
Base-Backbone interact. energy: -0.000
local terms energy: -26.866298
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.775
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -38.610574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.610574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.610574 (E_RNA)
where:
Base-Base interactions energy: -14.997
where: short stacking energy: -14.997
Base-Backbone interact. energy: -0.016
local terms energy: -23.596789
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -5.273
flat angles C4'-P-C4' energy: -4.380
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: -3.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -38.454229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.454229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.454229 (E_RNA)
where:
Base-Base interactions energy: -17.140
where: short stacking energy: -17.140
Base-Backbone interact. energy: -0.000
local terms energy: -21.314542
where:
bonds (distance) C4'-P energy: -4.810
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -3.615
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -35.210128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.210128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.210128 (E_RNA)
where:
Base-Base interactions energy: -13.827
where: short stacking energy: -13.827
Base-Backbone interact. energy: -0.038
local terms energy: -21.345782
where:
bonds (distance) C4'-P energy: -5.543
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -3.067
flat angles P-C4'-P energy: -4.252
tors. eta vs tors. theta energy: -1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -41.553764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.553764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.553764 (E_RNA)
where:
Base-Base interactions energy: -19.749
where: short stacking energy: -19.749
Base-Backbone interact. energy: -0.070
local terms energy: -21.734490
where:
bonds (distance) C4'-P energy: -3.920
bonds (distance) P-C4' energy: -5.086
flat angles C4'-P-C4' energy: -4.955
flat angles P-C4'-P energy: -3.907
tors. eta vs tors. theta energy: -3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -35.457860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.457860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.457860 (E_RNA)
where:
Base-Base interactions energy: -13.674
where: short stacking energy: -13.674
Base-Backbone interact. energy: -0.112
local terms energy: -21.671625
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -5.519
flat angles C4'-P-C4' energy: -5.045
flat angles P-C4'-P energy: -2.313
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -44.762284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.762284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.762284 (E_RNA)
where:
Base-Base interactions energy: -21.774
where: short stacking energy: -16.622
Base-Backbone interact. energy: -0.001
local terms energy: -22.986385
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -4.028
flat angles P-C4'-P energy: -3.830
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -37.449172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.449172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.449172 (E_RNA)
where:
Base-Base interactions energy: -15.117
where: short stacking energy: -15.117
Base-Backbone interact. energy: -0.068
local terms energy: -22.264140
where:
bonds (distance) C4'-P energy: -3.894
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -2.338
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -32.831489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.831489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.831489 (E_RNA)
where:
Base-Base interactions energy: -16.963
where: short stacking energy: -9.021
Base-Backbone interact. energy: -0.392
local terms energy: -15.477019
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -1.308
flat angles P-C4'-P energy: -1.035
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: 10, replica: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -38.861545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.861545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.861545 (E_RNA)
where:
Base-Base interactions energy: -12.417
where: short stacking energy: -12.417
Base-Backbone interact. energy: -0.001
local terms energy: -26.443790
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.223
flat angles P-C4'-P energy: -2.560
tors. eta vs tors. theta energy: -6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -56.795002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.795002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.795002 (E_RNA)
where:
Base-Base interactions energy: -25.602
where: short stacking energy: -25.602
Base-Backbone interact. energy: -0.000
local terms energy: -31.193440
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.615
flat angles C4'-P-C4' energy: -5.902
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -49.948306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.948306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.948306 (E_RNA)
where:
Base-Base interactions energy: -22.705
where: short stacking energy: -22.705
Base-Backbone interact. energy: -0.000
local terms energy: -27.243800
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -6.186
flat angles P-C4'-P energy: -3.686
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -43.446396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.446396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.446396 (E_RNA)
where:
Base-Base interactions energy: -24.194
where: short stacking energy: -12.558
Base-Backbone interact. energy: -0.001
local terms energy: -19.251946
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.309
flat angles P-C4'-P energy: -1.783
tors. eta vs tors. theta energy: 0.003
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: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -45.142151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.142151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.142151 (E_RNA)
where:
Base-Base interactions energy: -18.254
where: short stacking energy: -18.254
Base-Backbone interact. energy: -0.000
local terms energy: -26.888408
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -6.306
flat angles P-C4'-P energy: -2.634
tors. eta vs tors. theta energy: -7.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -42.881651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.881651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.881651 (E_RNA)
where:
Base-Base interactions energy: -18.266
where: short stacking energy: -18.266
Base-Backbone interact. energy: -0.031
local terms energy: -24.584386
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -5.519
flat angles P-C4'-P energy: -2.641
tors. eta vs tors. theta energy: -5.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -43.715427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.715427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.715427 (E_RNA)
where:
Base-Base interactions energy: -19.899
where: short stacking energy: -17.084
Base-Backbone interact. energy: -0.001
local terms energy: -23.815486
where:
bonds (distance) C4'-P energy: -4.686
bonds (distance) P-C4' energy: -5.442
flat angles C4'-P-C4' energy: -5.795
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -34.591888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.591888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.591888 (E_RNA)
where:
Base-Base interactions energy: -11.354
where: short stacking energy: -11.354
Base-Backbone interact. energy: -0.032
local terms energy: -23.205864
where:
bonds (distance) C4'-P energy: -5.253
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.005
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -2.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -37.021290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.021290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.021290 (E_RNA)
where:
Base-Base interactions energy: -19.415
where: short stacking energy: -19.415
Base-Backbone interact. energy: -0.002
local terms energy: -17.604471
where:
bonds (distance) C4'-P energy: -4.337
bonds (distance) P-C4' energy: -3.321
flat angles C4'-P-C4' energy: -4.621
flat angles P-C4'-P energy: -2.523
tors. eta vs tors. theta energy: -2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -42.888320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.888320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.888320 (E_RNA)
where:
Base-Base interactions energy: -18.670
where: short stacking energy: -18.670
Base-Backbone interact. energy: -0.000
local terms energy: -24.218548
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -5.103
flat angles C4'-P-C4' energy: -4.003
flat angles P-C4'-P energy: -3.900
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: 10, replica: 7
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -34.672776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.672776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.672776 (E_RNA)
where:
Base-Base interactions energy: -11.982
where: short stacking energy: -11.982
Base-Backbone interact. energy: -0.000
local terms energy: -22.690790
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -5.429
flat angles P-C4'-P energy: -2.202
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -42.778760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.778760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.778760 (E_RNA)
where:
Base-Base interactions energy: -17.287
where: short stacking energy: -17.287
Base-Backbone interact. energy: -0.001
local terms energy: -25.491460
where:
bonds (distance) C4'-P energy: -5.315
bonds (distance) P-C4' energy: -6.125
flat angles C4'-P-C4' energy: -6.166
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -3.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -44.248688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.248688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.248688 (E_RNA)
where:
Base-Base interactions energy: -16.008
where: short stacking energy: -16.008
Base-Backbone interact. energy: -0.001
local terms energy: -28.239484
where:
bonds (distance) C4'-P energy: -4.587
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -6.044
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -50.676844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.676844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.676844 (E_RNA)
where:
Base-Base interactions energy: -21.766
where: short stacking energy: -21.766
Base-Backbone interact. energy: -0.000
local terms energy: -28.910648
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.286
flat angles P-C4'-P energy: -5.105
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: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -44.427437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.427437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.427437 (E_RNA)
where:
Base-Base interactions energy: -19.326
where: short stacking energy: -19.326
Base-Backbone interact. energy: -0.000
local terms energy: -25.101546
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -5.755
flat angles C4'-P-C4' energy: -5.286
flat angles P-C4'-P energy: -4.234
tors. eta vs tors. theta energy: -3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -36.360950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.360950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.360950 (E_RNA)
where:
Base-Base interactions energy: -13.809
where: short stacking energy: -13.809
Base-Backbone interact. energy: -0.012
local terms energy: -22.539322
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -4.542
flat angles P-C4'-P energy: -2.605
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -37.119292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.119292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.119292 (E_RNA)
where:
Base-Base interactions energy: -15.003
where: short stacking energy: -15.003
Base-Backbone interact. energy: -0.205
local terms energy: -21.911920
where:
bonds (distance) C4'-P energy: -4.735
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -3.470
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -3.800
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: 7, replica: 6
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -35.647787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.647787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.647787 (E_RNA)
where:
Base-Base interactions energy: -17.939
where: short stacking energy: -17.939
Base-Backbone interact. energy: -0.020
local terms energy: -17.688870
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: 2.541
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -39.516474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.516474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.516474 (E_RNA)
where:
Base-Base interactions energy: -16.765
where: short stacking energy: -16.765
Base-Backbone interact. energy: -0.000
local terms energy: -22.750723
where:
bonds (distance) C4'-P energy: -3.990
bonds (distance) P-C4' energy: -4.635
flat angles C4'-P-C4' energy: -4.620
flat angles P-C4'-P energy: -4.295
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: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -39.622793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.622793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.622793 (E_RNA)
where:
Base-Base interactions energy: -17.717
where: short stacking energy: -12.924
Base-Backbone interact. energy: 0.115
local terms energy: -22.020535
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -4.891
flat angles P-C4'-P energy: -2.489
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -28.512353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.512353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.512353 (E_RNA)
where:
Base-Base interactions energy: -7.500
where: short stacking energy: -7.500
Base-Backbone interact. energy: -0.025
local terms energy: -20.987405
where:
bonds (distance) C4'-P energy: -5.096
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -3.892
flat angles P-C4'-P energy: -2.998
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -44.014025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.014025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.014025 (E_RNA)
where:
Base-Base interactions energy: -19.481
where: short stacking energy: -19.481
Base-Backbone interact. energy: -0.003
local terms energy: -24.530263
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -6.149
flat angles C4'-P-C4' energy: -6.045
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: -1.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -47.160104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.160104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.160104 (E_RNA)
where:
Base-Base interactions energy: -20.860
where: short stacking energy: -20.860
Base-Backbone interact. energy: -0.001
local terms energy: -26.299877
where:
bonds (distance) C4'-P energy: -5.845
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -6.258
flat angles P-C4'-P energy: -4.643
tors. eta vs tors. theta energy: -4.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -40.219243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.219243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.219243 (E_RNA)
where:
Base-Base interactions energy: -15.460
where: short stacking energy: -15.460
Base-Backbone interact. energy: -0.001
local terms energy: -24.757792
where:
bonds (distance) C4'-P energy: -4.504
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.419
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -2.747
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: 4, replica: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -46.423774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.423774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.423774 (E_RNA)
where:
Base-Base interactions energy: -21.638
where: short stacking energy: -21.638
Base-Backbone interact. energy: -0.000
local terms energy: -24.785257
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -5.022
flat angles C4'-P-C4' energy: -5.467
flat angles P-C4'-P energy: -3.190
tors. eta vs tors. theta energy: -5.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -38.585318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.585318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.585318 (E_RNA)
where:
Base-Base interactions energy: -16.147
where: short stacking energy: -16.147
Base-Backbone interact. energy: -0.000
local terms energy: -22.438016
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -3.740
flat angles P-C4'-P energy: -3.014
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -42.149762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.149762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.149762 (E_RNA)
where:
Base-Base interactions energy: -18.709
where: short stacking energy: -18.417
Base-Backbone interact. energy: -0.005
local terms energy: -23.435505
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -4.953
flat angles P-C4'-P energy: -2.864
tors. eta vs tors. theta energy: -2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -35.577731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.577731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.577731 (E_RNA)
where:
Base-Base interactions energy: -15.443
where: short stacking energy: -9.355
Base-Backbone interact. energy: -0.162
local terms energy: -19.972187
where:
bonds (distance) C4'-P energy: -3.360
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.446
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: 0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -41.413073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.413073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.413073 (E_RNA)
where:
Base-Base interactions energy: -19.028
where: short stacking energy: -19.028
Base-Backbone interact. energy: -0.081
local terms energy: -22.303722
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -5.107
flat angles C4'-P-C4' energy: -5.055
flat angles P-C4'-P energy: -2.252
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: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -33.458291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.458291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.458291 (E_RNA)
where:
Base-Base interactions energy: -12.607
where: short stacking energy: -12.607
Base-Backbone interact. energy: 0.075
local terms energy: -20.926878
where:
bonds (distance) C4'-P energy: -3.804
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -3.931
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -37.812445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.812445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.812445 (E_RNA)
where:
Base-Base interactions energy: -17.585
where: short stacking energy: -17.349
Base-Backbone interact. energy: -0.004
local terms energy: -20.223288
where:
bonds (distance) C4'-P energy: -2.848
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.512
flat angles P-C4'-P energy: -4.045
tors. eta vs tors. theta energy: -1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -43.883785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.883785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.883785 (E_RNA)
where:
Base-Base interactions energy: -18.408
where: short stacking energy: -18.408
Base-Backbone interact. energy: -0.000
local terms energy: -25.475680
where:
bonds (distance) C4'-P energy: -6.060
bonds (distance) P-C4' energy: -5.833
flat angles C4'-P-C4' energy: -5.398
flat angles P-C4'-P energy: -3.695
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -51.011367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.011367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.011367 (E_RNA)
where:
Base-Base interactions energy: -20.697
where: short stacking energy: -20.697
Base-Backbone interact. energy: -0.000
local terms energy: -30.314208
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -5.991
flat angles P-C4'-P energy: -4.095
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: 3, replica: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -45.055515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.055515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.055515 (E_RNA)
where:
Base-Base interactions energy: -18.059
where: short stacking energy: -18.059
Base-Backbone interact. energy: -0.000
local terms energy: -26.996542
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -5.336
flat angles P-C4'-P energy: -4.877
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: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -51.352215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.352215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.352215 (E_RNA)
where:
Base-Base interactions energy: -31.481
where: short stacking energy: -12.116
Base-Backbone interact. energy: -0.021
local terms energy: -19.849563
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -3.975
flat angles P-C4'-P energy: -1.737
tors. eta vs tors. theta energy: -2.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -42.439992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.439992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.439992 (E_RNA)
where:
Base-Base interactions energy: -16.910
where: short stacking energy: -16.910
Base-Backbone interact. energy: -0.000
local terms energy: -25.530076
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.552
flat angles P-C4'-P energy: -3.094
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: 6, replica: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -36.499345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.499345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.499345 (E_RNA)
where:
Base-Base interactions energy: -19.325
where: short stacking energy: -8.245
Base-Backbone interact. energy: -0.039
local terms energy: -17.135765
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -3.843
flat angles C4'-P-C4' energy: -5.800
flat angles P-C4'-P energy: -0.330
tors. eta vs tors. theta energy: -1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -39.447575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.447575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.447575 (E_RNA)
where:
Base-Base interactions energy: -16.935
where: short stacking energy: -16.935
Base-Backbone interact. energy: -0.026
local terms energy: -22.486672
where:
bonds (distance) C4'-P energy: -5.252
bonds (distance) P-C4' energy: -4.448
flat angles C4'-P-C4' energy: -4.294
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -30.138841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.138841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.138841 (E_RNA)
where:
Base-Base interactions energy: -12.954
where: short stacking energy: -8.239
Base-Backbone interact. energy: -0.008
local terms energy: -17.177041
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -4.039
flat angles C4'-P-C4' energy: -5.836
flat angles P-C4'-P energy: -2.905
tors. eta vs tors. theta energy: 1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -31.109013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.109013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.109013 (E_RNA)
where:
Base-Base interactions energy: -8.082
where: short stacking energy: -8.082
Base-Backbone interact. energy: -0.008
local terms energy: -23.018416
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.604
flat angles P-C4'-P energy: -4.244
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: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -30.380504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.380504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.380504 (E_RNA)
where:
Base-Base interactions energy: -10.287
where: short stacking energy: -10.287
Base-Backbone interact. energy: -0.061
local terms energy: -20.032646
where:
bonds (distance) C4'-P energy: -4.540
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.388
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: -0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -55.384589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.384589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.384589 (E_RNA)
where:
Base-Base interactions energy: -30.066
where: short stacking energy: -15.949
Base-Backbone interact. energy: -0.090
local terms energy: -25.228428
where:
bonds (distance) C4'-P energy: -2.731
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -6.152
flat angles P-C4'-P energy: -3.934
tors. eta vs tors. theta energy: -5.954
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: 451
Temperature: 0.950000
Total energy: -46.750982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.750982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.750982 (E_RNA)
where:
Base-Base interactions energy: -21.326
where: short stacking energy: -21.326
Base-Backbone interact. energy: -0.000
local terms energy: -25.424907
where:
bonds (distance) C4'-P energy: -4.442
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -5.646
flat angles P-C4'-P energy: -3.952
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -43.439821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.439821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.439821 (E_RNA)
where:
Base-Base interactions energy: -18.241
where: short stacking energy: -13.839
Base-Backbone interact. energy: -2.180
local terms energy: -23.018729
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.132
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: -0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -41.183883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.183883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.183883 (E_RNA)
where:
Base-Base interactions energy: -17.479
where: short stacking energy: -17.479
Base-Backbone interact. energy: -0.976
local terms energy: -22.728717
where:
bonds (distance) C4'-P energy: -2.404
bonds (distance) P-C4' energy: -4.564
flat angles C4'-P-C4' energy: -5.163
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -44.018210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.018210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.018210 (E_RNA)
where:
Base-Base interactions energy: -17.347
where: short stacking energy: -17.347
Base-Backbone interact. energy: -0.000
local terms energy: -26.670749
where:
bonds (distance) C4'-P energy: -3.742
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.779
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -5.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -36.355223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.355223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.355223 (E_RNA)
where:
Base-Base interactions energy: -13.379
where: short stacking energy: -13.379
Base-Backbone interact. energy: -0.786
local terms energy: -22.190166
where:
bonds (distance) C4'-P energy: -3.795
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.934
flat angles P-C4'-P energy: -4.461
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -38.721566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.721566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.721566 (E_RNA)
where:
Base-Base interactions energy: -15.179
where: short stacking energy: -15.179
Base-Backbone interact. energy: -0.000
local terms energy: -23.542295
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -5.728
flat angles P-C4'-P energy: -4.502
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -37.497718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.497718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.497718 (E_RNA)
where:
Base-Base interactions energy: -13.338
where: short stacking energy: -13.338
Base-Backbone interact. energy: -0.004
local terms energy: -24.156286
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.241
flat angles P-C4'-P energy: -3.590
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -33.385245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.385245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.385245 (E_RNA)
where:
Base-Base interactions energy: -10.824
where: short stacking energy: -10.824
Base-Backbone interact. energy: -0.002
local terms energy: -22.559132
where:
bonds (distance) C4'-P energy: -4.727
bonds (distance) P-C4' energy: -5.837
flat angles C4'-P-C4' energy: -5.179
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -29.716924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.716924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.716924 (E_RNA)
where:
Base-Base interactions energy: -12.828
where: short stacking energy: -12.828
Base-Backbone interact. energy: -0.001
local terms energy: -16.887930
where:
bonds (distance) C4'-P energy: -3.076
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -4.533
flat angles P-C4'-P energy: -3.925
tors. eta vs tors. theta energy: 1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -47.856025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.856025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.856025 (E_RNA)
where:
Base-Base interactions energy: -23.644
where: short stacking energy: -23.644
Base-Backbone interact. energy: -0.000
local terms energy: -24.211628
where:
bonds (distance) C4'-P energy: -4.694
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -4.710
flat angles P-C4'-P energy: -4.643
tors. eta vs tors. theta energy: -4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -53.396292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.396292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.396292 (E_RNA)
where:
Base-Base interactions energy: -25.304
where: short stacking energy: -25.304
Base-Backbone interact. energy: -0.000
local terms energy: -28.092730
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.088
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -7.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -45.422444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.422444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.422444 (E_RNA)
where:
Base-Base interactions energy: -21.300
where: short stacking energy: -21.300
Base-Backbone interact. energy: -0.000
local terms energy: -24.122151
where:
bonds (distance) C4'-P energy: -2.498
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -4.643
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -6.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -45.687036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.687036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.687036 (E_RNA)
where:
Base-Base interactions energy: -18.542
where: short stacking energy: -18.542
Base-Backbone interact. energy: -0.000
local terms energy: -27.144658
where:
bonds (distance) C4'-P energy: -4.223
bonds (distance) P-C4' energy: -3.907
flat angles C4'-P-C4' energy: -6.316
flat angles P-C4'-P energy: -5.183
tors. eta vs tors. theta energy: -7.516
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: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -35.166091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.166091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.166091 (E_RNA)
where:
Base-Base interactions energy: -13.584
where: short stacking energy: -13.584
Base-Backbone interact. energy: -0.001
local terms energy: -21.581727
where:
bonds (distance) C4'-P energy: -3.461
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -5.355
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -36.455045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.455045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.455045 (E_RNA)
where:
Base-Base interactions energy: -14.507
where: short stacking energy: -14.507
Base-Backbone interact. energy: -0.004
local terms energy: -21.943966
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.541
flat angles C4'-P-C4' energy: -3.665
flat angles P-C4'-P energy: -0.652
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -34.187792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.187792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.187792 (E_RNA)
where:
Base-Base interactions energy: -14.754
where: short stacking energy: -14.314
Base-Backbone interact. energy: -0.124
local terms energy: -19.309755
where:
bonds (distance) C4'-P energy: -4.098
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.716
flat angles P-C4'-P energy: -2.402
tors. eta vs tors. theta energy: -0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -35.114620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.114620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.114620 (E_RNA)
where:
Base-Base interactions energy: -14.681
where: short stacking energy: -14.681
Base-Backbone interact. energy: -0.002
local terms energy: -20.432284
where:
bonds (distance) C4'-P energy: -4.843
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.629
flat angles P-C4'-P energy: -1.732
tors. eta vs tors. theta energy: -2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -39.991158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.991158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.991158 (E_RNA)
where:
Base-Base interactions energy: -14.464
where: short stacking energy: -13.799
Base-Backbone interact. energy: -0.000
local terms energy: -25.527163
where:
bonds (distance) C4'-P energy: -3.513
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -6.241
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -4.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -35.558114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.558114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.558114 (E_RNA)
where:
Base-Base interactions energy: -12.012
where: short stacking energy: -12.012
Base-Backbone interact. energy: -0.006
local terms energy: -23.539905
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -3.840
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -50.415304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.415304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.415304 (E_RNA)
where:
Base-Base interactions energy: -21.604
where: short stacking energy: -21.604
Base-Backbone interact. energy: -0.000
local terms energy: -28.811414
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -5.450
flat angles P-C4'-P energy: -4.985
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: 2, replica: 10
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -53.971651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.971651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.971651 (E_RNA)
where:
Base-Base interactions energy: -24.377
where: short stacking energy: -24.377
Base-Backbone interact. energy: -0.000
local terms energy: -29.594387
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -5.326
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -7.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -46.087457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.087457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.087457 (E_RNA)
where:
Base-Base interactions energy: -19.556
where: short stacking energy: -19.556
Base-Backbone interact. energy: -0.000
local terms energy: -26.531669
where:
bonds (distance) C4'-P energy: -4.880
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -5.764
flat angles P-C4'-P energy: -3.476
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -44.039513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.039513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.039513 (E_RNA)
where:
Base-Base interactions energy: -17.196
where: short stacking energy: -17.196
Base-Backbone interact. energy: -0.000
local terms energy: -26.843643
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -6.045
flat angles P-C4'-P energy: -3.625
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: 5, replica: 2
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -39.681856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.681856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.681856 (E_RNA)
where:
Base-Base interactions energy: -15.247
where: short stacking energy: -15.247
Base-Backbone interact. energy: -0.001
local terms energy: -24.433258
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -4.899
flat angles C4'-P-C4' energy: -3.838
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -4.716
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: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -44.485758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.485758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.485758 (E_RNA)
where:
Base-Base interactions energy: -26.929
where: short stacking energy: -13.827
Base-Backbone interact. energy: -0.085
local terms energy: -17.472231
where:
bonds (distance) C4'-P energy: -4.471
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.684
flat angles P-C4'-P energy: -2.753
tors. eta vs tors. theta energy: 0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -39.794688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.794688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.794688 (E_RNA)
where:
Base-Base interactions energy: -18.687
where: short stacking energy: -18.687
Base-Backbone interact. energy: -0.093
local terms energy: -21.014056
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -4.371
flat angles C4'-P-C4' energy: -4.470
flat angles P-C4'-P energy: -3.992
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -34.179025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.179025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.179025 (E_RNA)
where:
Base-Base interactions energy: -22.843
where: short stacking energy: -22.599
Base-Backbone interact. energy: -0.000
local terms energy: -11.336002
where:
bonds (distance) C4'-P energy: -1.797
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: 1.195
flat angles P-C4'-P energy: -0.711
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -33.673210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.673210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.673210 (E_RNA)
where:
Base-Base interactions energy: -14.737
where: short stacking energy: -11.998
Base-Backbone interact. energy: -0.098
local terms energy: -18.838284
where:
bonds (distance) C4'-P energy: -4.024
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.424
flat angles P-C4'-P energy: -2.575
tors. eta vs tors. theta energy: -0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -31.977259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.977259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.977259 (E_RNA)
where:
Base-Base interactions energy: -13.651
where: short stacking energy: -13.048
Base-Backbone interact. energy: 0.312
local terms energy: -18.638494
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -4.889
flat angles C4'-P-C4' energy: -4.832
flat angles P-C4'-P energy: -3.322
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: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -45.857381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.857381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.857381 (E_RNA)
where:
Base-Base interactions energy: -19.851
where: short stacking energy: -19.851
Base-Backbone interact. energy: -0.017
local terms energy: -25.988944
where:
bonds (distance) C4'-P energy: -3.564
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -6.677
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -4.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -52.633390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.633390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.633390 (E_RNA)
where:
Base-Base interactions energy: -22.823
where: short stacking energy: -22.823
Base-Backbone interact. energy: -0.000
local terms energy: -29.810632
where:
bonds (distance) C4'-P energy: -5.216
bonds (distance) P-C4' energy: -6.367
flat angles C4'-P-C4' energy: -6.191
flat angles P-C4'-P energy: -4.361
tors. eta vs tors. theta energy: -7.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -47.126830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.126830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.126830 (E_RNA)
where:
Base-Base interactions energy: -25.425
where: short stacking energy: -17.768
Base-Backbone interact. energy: 0.164
local terms energy: -21.865863
where:
bonds (distance) C4'-P energy: -4.123
bonds (distance) P-C4' energy: -5.336
flat angles C4'-P-C4' energy: -6.005
flat angles P-C4'-P energy: -3.319
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: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -45.887335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.887335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.887335 (E_RNA)
where:
Base-Base interactions energy: -20.207
where: short stacking energy: -20.207
Base-Backbone interact. energy: -0.004
local terms energy: -25.676587
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -5.764
flat angles P-C4'-P energy: -3.545
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -38.650844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.650844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.650844 (E_RNA)
where:
Base-Base interactions energy: -13.460
where: short stacking energy: -8.085
Base-Backbone interact. energy: -0.002
local terms energy: -25.189597
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.479
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -3.221
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: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -37.302497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.302497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.302497 (E_RNA)
where:
Base-Base interactions energy: -14.136
where: short stacking energy: -14.136
Base-Backbone interact. energy: -0.000
local terms energy: -23.166543
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -4.445
flat angles C4'-P-C4' energy: -5.902
flat angles P-C4'-P energy: -3.626
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -35.604437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.604437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.604437 (E_RNA)
where:
Base-Base interactions energy: -18.091
where: short stacking energy: -13.930
Base-Backbone interact. energy: -0.001
local terms energy: -17.512770
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -1.420
flat angles C4'-P-C4' energy: -3.422
flat angles P-C4'-P energy: -4.240
tors. eta vs tors. theta energy: -2.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -39.153252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.153252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.153252 (E_RNA)
where:
Base-Base interactions energy: -16.409
where: short stacking energy: -16.409
Base-Backbone interact. energy: -0.094
local terms energy: -22.649732
where:
bonds (distance) C4'-P energy: -4.578
bonds (distance) P-C4' energy: -5.146
flat angles C4'-P-C4' energy: -5.579
flat angles P-C4'-P energy: -3.157
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: 9, replica: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -27.781697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.781697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.781697 (E_RNA)
where:
Base-Base interactions energy: -9.161
where: short stacking energy: -4.584
Base-Backbone interact. energy: -0.605
local terms energy: -18.016448
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.978
flat angles P-C4'-P energy: -2.186
tors. eta vs tors. theta energy: 2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -35.219774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.219774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.219774 (E_RNA)
where:
Base-Base interactions energy: -18.864
where: short stacking energy: -18.864
Base-Backbone interact. energy: -0.008
local terms energy: -16.348218
where:
bonds (distance) C4'-P energy: -3.771
bonds (distance) P-C4' energy: -6.122
flat angles C4'-P-C4' energy: -4.967
flat angles P-C4'-P energy: -1.554
tors. eta vs tors. theta energy: 0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -54.311971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.311971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.311971 (E_RNA)
where:
Base-Base interactions energy: -26.637
where: short stacking energy: -26.637
Base-Backbone interact. energy: -0.000
local terms energy: -27.675327
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -4.944
flat angles C4'-P-C4' energy: -4.974
flat angles P-C4'-P energy: -4.137
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -46.998500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.998500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.998500 (E_RNA)
where:
Base-Base interactions energy: -18.127
where: short stacking energy: -18.127
Base-Backbone interact. energy: -0.000
local terms energy: -28.871861
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -5.129
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -39.623037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.623037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.623037 (E_RNA)
where:
Base-Base interactions energy: -20.381
where: short stacking energy: -9.400
Base-Backbone interact. energy: -0.379
local terms energy: -18.862621
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -6.392
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -4.289
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: 4, replica: 4
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -54.531659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.531659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.531659 (E_RNA)
where:
Base-Base interactions energy: -28.626
where: short stacking energy: -17.125
Base-Backbone interact. energy: -0.089
local terms energy: -25.816040
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.390
flat angles P-C4'-P energy: -3.149
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -41.900970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.900970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.900970 (E_RNA)
where:
Base-Base interactions energy: -17.919
where: short stacking energy: -17.919
Base-Backbone interact. energy: -0.000
local terms energy: -23.981913
where:
bonds (distance) C4'-P energy: -3.158
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.384
flat angles P-C4'-P energy: -2.269
tors. eta vs tors. theta energy: -6.504
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: 8
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -34.840764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.840764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.840764 (E_RNA)
where:
Base-Base interactions energy: -13.292
where: short stacking energy: -13.292
Base-Backbone interact. energy: -0.000
local terms energy: -21.548877
where:
bonds (distance) C4'-P energy: -5.241
bonds (distance) P-C4' energy: -5.537
flat angles C4'-P-C4' energy: -2.515
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -36.492622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.492622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.492622 (E_RNA)
where:
Base-Base interactions energy: -14.922
where: short stacking energy: -14.922
Base-Backbone interact. energy: -0.082
local terms energy: -21.488573
where:
bonds (distance) C4'-P energy: -6.098
bonds (distance) P-C4' energy: -2.376
flat angles C4'-P-C4' energy: -5.987
flat angles P-C4'-P energy: -2.043
tors. eta vs tors. theta energy: -4.985
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: 9
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -34.510443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.510443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.510443 (E_RNA)
where:
Base-Base interactions energy: -13.700
where: short stacking energy: -13.700
Base-Backbone interact. energy: -0.000
local terms energy: -20.810865
where:
bonds (distance) C4'-P energy: -4.462
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.196
flat angles P-C4'-P energy: -0.870
tors. eta vs tors. theta energy: -3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -37.008639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.008639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.008639 (E_RNA)
where:
Base-Base interactions energy: -12.062
where: short stacking energy: -12.062
Base-Backbone interact. energy: -0.010
local terms energy: -24.937360
where:
bonds (distance) C4'-P energy: -5.651
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -5.227
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -3.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -35.548136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.548136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.548136 (E_RNA)
where:
Base-Base interactions energy: -11.864
where: short stacking energy: -11.864
Base-Backbone interact. energy: -0.007
local terms energy: -23.677591
where:
bonds (distance) C4'-P energy: -5.278
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -4.987
flat angles P-C4'-P energy: -2.875
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -53.196857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.196857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.196857 (E_RNA)
where:
Base-Base interactions energy: -26.465
where: short stacking energy: -26.465
Base-Backbone interact. energy: -0.000
local terms energy: -26.731782
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.796
flat angles P-C4'-P energy: -3.059
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -49.463326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.463326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.463326 (E_RNA)
where:
Base-Base interactions energy: -21.888
where: short stacking energy: -21.888
Base-Backbone interact. energy: -0.000
local terms energy: -27.575775
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -6.348
flat angles P-C4'-P energy: -3.518
tors. eta vs tors. theta energy: -5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -48.413718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.413718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.413718 (E_RNA)
where:
Base-Base interactions energy: -20.165
where: short stacking energy: -20.165
Base-Backbone interact. energy: -0.000
local terms energy: -28.248792
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -5.952
flat angles P-C4'-P energy: -4.086
tors. eta vs tors. theta energy: -5.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -42.180513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.180513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.180513 (E_RNA)
where:
Base-Base interactions energy: -15.730
where: short stacking energy: -10.114
Base-Backbone interact. energy: -0.063
local terms energy: -26.387645
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.569
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -41.470943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.470943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.470943 (E_RNA)
where:
Base-Base interactions energy: -16.059
where: short stacking energy: -16.059
Base-Backbone interact. energy: -0.000
local terms energy: -25.411816
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -5.466
flat angles C4'-P-C4' energy: -3.985
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -5.502
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: 6, replica: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -44.165094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.165094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.165094 (E_RNA)
where:
Base-Base interactions energy: -20.529
where: short stacking energy: -18.956
Base-Backbone interact. energy: -0.011
local terms energy: -23.625531
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -6.044
flat angles P-C4'-P energy: -1.805
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -32.844810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.844810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.844810 (E_RNA)
where:
Base-Base interactions energy: -10.305
where: short stacking energy: -10.305
Base-Backbone interact. energy: -0.003
local terms energy: -22.536746
where:
bonds (distance) C4'-P energy: -4.106
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -4.609
flat angles P-C4'-P energy: -5.089
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: 8, replica: 2
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -39.253824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.253824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.253824 (E_RNA)
where:
Base-Base interactions energy: -14.488
where: short stacking energy: -13.035
Base-Backbone interact. energy: 0.476
local terms energy: -25.241787
where:
bonds (distance) C4'-P energy: -5.071
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -5.902
flat angles P-C4'-P energy: -4.088
tors. eta vs tors. theta energy: -3.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -32.925572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.925572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.925572 (E_RNA)
where:
Base-Base interactions energy: -12.179
where: short stacking energy: -12.179
Base-Backbone interact. energy: 0.798
local terms energy: -21.544010
where:
bonds (distance) C4'-P energy: -3.697
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -4.967
flat angles P-C4'-P energy: -3.797
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -32.873107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.873107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.873107 (E_RNA)
where:
Base-Base interactions energy: -13.723
where: short stacking energy: -13.723
Base-Backbone interact. energy: -0.000
local terms energy: -19.149990
where:
bonds (distance) C4'-P energy: -1.842
bonds (distance) P-C4' energy: -6.202
flat angles C4'-P-C4' energy: -5.251
flat angles P-C4'-P energy: -2.491
tors. eta vs tors. theta energy: -3.364
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: 1, replica: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -43.201030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.201030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.201030 (E_RNA)
where:
Base-Base interactions energy: -18.909
where: short stacking energy: -18.909
Base-Backbone interact. energy: -0.000
local terms energy: -24.292211
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -4.595
flat angles P-C4'-P energy: -4.868
tors. eta vs tors. theta energy: -2.992
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: 10
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -49.056009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.056009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.056009 (E_RNA)
where:
Base-Base interactions energy: -22.230
where: short stacking energy: -22.230
Base-Backbone interact. energy: -0.000
local terms energy: -26.826420
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -5.674
flat angles C4'-P-C4' energy: -5.289
flat angles P-C4'-P energy: -3.062
tors. eta vs tors. theta energy: -6.802
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: 3, replica: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -60.962798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.962798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.962798 (E_RNA)
where:
Base-Base interactions energy: -40.947
where: short stacking energy: -17.783
Base-Backbone interact. energy: 0.547
local terms energy: -20.562627
where:
bonds (distance) C4'-P energy: -4.346
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -4.698
flat angles P-C4'-P energy: -3.098
tors. eta vs tors. theta energy: -2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -41.005537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.005537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.005537 (E_RNA)
where:
Base-Base interactions energy: -21.456
where: short stacking energy: -21.456
Base-Backbone interact. energy: -0.000
local terms energy: -19.549272
where:
bonds (distance) C4'-P energy: -4.753
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -3.134
flat angles P-C4'-P energy: -2.126
tors. eta vs tors. theta energy: -4.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -44.113315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.113315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.113315 (E_RNA)
where:
Base-Base interactions energy: -22.680
where: short stacking energy: -12.524
Base-Backbone interact. energy: -0.000
local terms energy: -21.433224
where:
bonds (distance) C4'-P energy: -4.669
bonds (distance) P-C4' energy: -3.577
flat angles C4'-P-C4' energy: -6.815
flat angles P-C4'-P energy: -2.520
tors. eta vs tors. theta energy: -3.852
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: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -36.848809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.848809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.848809 (E_RNA)
where:
Base-Base interactions energy: -16.395
where: short stacking energy: -11.935
Base-Backbone interact. energy: 0.233
local terms energy: -20.686826
where:
bonds (distance) C4'-P energy: -4.931
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.846
flat angles P-C4'-P energy: -2.442
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: 7, replica: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -35.521078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.521078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.521078 (E_RNA)
where:
Base-Base interactions energy: -11.697
where: short stacking energy: -11.697
Base-Backbone interact. energy: -0.000
local terms energy: -23.823798
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -4.736
flat angles C4'-P-C4' energy: -5.189
flat angles P-C4'-P energy: -4.617
tors. eta vs tors. theta energy: -3.756
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: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -40.314715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.314715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.314715 (E_RNA)
where:
Base-Base interactions energy: -17.655
where: short stacking energy: -17.655
Base-Backbone interact. energy: -0.001
local terms energy: -22.658581
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -3.320
flat angles P-C4'-P energy: -4.402
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: 2
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -29.978479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.978479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.978479 (E_RNA)
where:
Base-Base interactions energy: -13.045
where: short stacking energy: -13.045
Base-Backbone interact. energy: -0.000
local terms energy: -16.932819
where:
bonds (distance) C4'-P energy: -5.286
bonds (distance) P-C4' energy: -4.392
flat angles C4'-P-C4' energy: -5.101
flat angles P-C4'-P energy: -1.209
tors. eta vs tors. theta energy: -0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -34.005474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.005474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.005474 (E_RNA)
where:
Base-Base interactions energy: -15.356
where: short stacking energy: -15.356
Base-Backbone interact. energy: -0.000
local terms energy: -18.649811
where:
bonds (distance) C4'-P energy: -3.005
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.780
flat angles P-C4'-P energy: -2.205
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -52.215860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.215860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.215860 (E_RNA)
where:
Base-Base interactions energy: -27.183
where: short stacking energy: -27.183
Base-Backbone interact. energy: -0.000
local terms energy: -25.033316
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -6.059
flat angles P-C4'-P energy: -1.023
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -46.359724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.359724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.359724 (E_RNA)
where:
Base-Base interactions energy: -21.803
where: short stacking energy: -21.803
Base-Backbone interact. energy: -0.000
local terms energy: -24.556370
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -4.352
flat angles C4'-P-C4' energy: -4.688
flat angles P-C4'-P energy: -4.094
tors. eta vs tors. theta energy: -5.726
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: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -67.442343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.442343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.442343 (E_RNA)
where:
Base-Base interactions energy: -48.141
where: short stacking energy: -21.809
Base-Backbone interact. energy: -0.161
local terms energy: -19.140898
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -3.075
flat angles P-C4'-P energy: -0.115
tors. eta vs tors. theta energy: -3.592
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: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -52.075612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.075612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.075612 (E_RNA)
where:
Base-Base interactions energy: -25.893
where: short stacking energy: -16.977
Base-Backbone interact. energy: -0.009
local terms energy: -26.173700
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.734
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -44.353896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.353896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.353896 (E_RNA)
where:
Base-Base interactions energy: -19.407
where: short stacking energy: -19.407
Base-Backbone interact. energy: -0.000
local terms energy: -24.946818
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -5.833
flat angles C4'-P-C4' energy: -5.764
flat angles P-C4'-P energy: -2.875
tors. eta vs tors. theta energy: -4.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -40.328010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.328010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.328010 (E_RNA)
where:
Base-Base interactions energy: -15.917
where: short stacking energy: -15.917
Base-Backbone interact. energy: -0.000
local terms energy: -24.411215
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -5.926
flat angles P-C4'-P energy: -3.098
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -36.126176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.126176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.126176 (E_RNA)
where:
Base-Base interactions energy: -17.587
where: short stacking energy: -8.367
Base-Backbone interact. energy: 0.813
local terms energy: -19.353041
where:
bonds (distance) C4'-P energy: -5.096
bonds (distance) P-C4' energy: -5.078
flat angles C4'-P-C4' energy: -4.661
flat angles P-C4'-P energy: -4.038
tors. eta vs tors. theta energy: -0.480
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: 8, replica: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -38.372885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.372885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.372885 (E_RNA)
where:
Base-Base interactions energy: -14.431
where: short stacking energy: -14.431
Base-Backbone interact. energy: -0.000
local terms energy: -23.941335
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -6.449
flat angles P-C4'-P energy: -3.094
tors. eta vs tors. theta energy: -2.335
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: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -33.064270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.064270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.064270 (E_RNA)
where:
Base-Base interactions energy: -11.581
where: short stacking energy: -11.581
Base-Backbone interact. energy: -0.040
local terms energy: -21.442947
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -5.175
flat angles P-C4'-P energy: -2.249
tors. eta vs tors. theta energy: -2.771
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: 2
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -29.770199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.770199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.770199 (E_RNA)
where:
Base-Base interactions energy: -11.757
where: short stacking energy: -3.244
Base-Backbone interact. energy: -0.051
local terms energy: -17.962252
where:
bonds (distance) C4'-P energy: -3.990
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -5.662
flat angles P-C4'-P energy: -3.575
tors. eta vs tors. theta energy: 1.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -50.309829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.309829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.309829 (E_RNA)
where:
Base-Base interactions energy: -24.639
where: short stacking energy: -13.561
Base-Backbone interact. energy: -0.001
local terms energy: -25.670086
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -6.005
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -1.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -66.044151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.044151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.044151 (E_RNA)
where:
Base-Base interactions energy: -44.580
where: short stacking energy: -18.147
Base-Backbone interact. energy: -0.309
local terms energy: -21.155179
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -4.638
flat angles P-C4'-P energy: -4.685
tors. eta vs tors. theta energy: 0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -45.616921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.616921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.616921 (E_RNA)
where:
Base-Base interactions energy: -20.296
where: short stacking energy: -20.296
Base-Backbone interact. energy: -0.005
local terms energy: -25.316209
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -5.407
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -3.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -46.401292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.401292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.401292 (E_RNA)
where:
Base-Base interactions energy: -17.940
where: short stacking energy: -17.940
Base-Backbone interact. energy: -0.000
local terms energy: -28.461041
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -4.968
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -6.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -35.796612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.796612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.796612 (E_RNA)
where:
Base-Base interactions energy: -12.163
where: short stacking energy: -12.163
Base-Backbone interact. energy: -0.000
local terms energy: -23.633147
where:
bonds (distance) C4'-P energy: -5.688
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -4.165
flat angles P-C4'-P energy: -2.512
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: 6, replica: 1
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -34.698076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.698076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.698076 (E_RNA)
where:
Base-Base interactions energy: -13.589
where: short stacking energy: -13.589
Base-Backbone interact. energy: -0.000
local terms energy: -21.109515
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -4.279
flat angles P-C4'-P energy: -3.829
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -42.109432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.109432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.109432 (E_RNA)
where:
Base-Base interactions energy: -18.952
where: short stacking energy: -18.952
Base-Backbone interact. energy: -0.017
local terms energy: -23.140237
where:
bonds (distance) C4'-P energy: -4.285
bonds (distance) P-C4' energy: -5.318
flat angles C4'-P-C4' energy: -4.912
flat angles P-C4'-P energy: -3.752
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -36.030277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.030277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.030277 (E_RNA)
where:
Base-Base interactions energy: -14.603
where: short stacking energy: -14.603
Base-Backbone interact. energy: -0.000
local terms energy: -21.427067
where:
bonds (distance) C4'-P energy: -5.096
bonds (distance) P-C4' energy: -4.810
flat angles C4'-P-C4' energy: -5.583
flat angles P-C4'-P energy: -2.988
tors. eta vs tors. theta energy: -2.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -37.969479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.969479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.969479 (E_RNA)
where:
Base-Base interactions energy: -12.479
where: short stacking energy: -12.479
Base-Backbone interact. energy: -0.000
local terms energy: -25.490736
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -5.709
flat angles C4'-P-C4' energy: -2.993
flat angles P-C4'-P energy: -4.963
tors. eta vs tors. theta energy: -5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -33.574243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.574243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.574243 (E_RNA)
where:
Base-Base interactions energy: -11.891
where: short stacking energy: -11.891
Base-Backbone interact. energy: -0.000
local terms energy: -21.683079
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -5.752
flat angles C4'-P-C4' energy: -3.685
flat angles P-C4'-P energy: -3.586
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -51.829641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.829641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.829641 (E_RNA)
where:
Base-Base interactions energy: -32.589
where: short stacking energy: -12.262
Base-Backbone interact. energy: -0.057
local terms energy: -19.183578
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -2.182
flat angles P-C4'-P energy: -3.766
tors. eta vs tors. theta energy: -0.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -47.351882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.351882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.351882 (E_RNA)
where:
Base-Base interactions energy: -17.690
where: short stacking energy: -17.690
Base-Backbone interact. energy: -0.000
local terms energy: -29.662207
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.084
flat angles P-C4'-P energy: -4.725
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: 3, replica: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -42.322872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.322872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.322872 (E_RNA)
where:
Base-Base interactions energy: -19.966
where: short stacking energy: -13.828
Base-Backbone interact. energy: -0.069
local terms energy: -22.287094
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -4.742
flat angles C4'-P-C4' energy: -5.302
flat angles P-C4'-P energy: -4.421
tors. eta vs tors. theta energy: -1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -39.495967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.495967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.495967 (E_RNA)
where:
Base-Base interactions energy: -17.350
where: short stacking energy: -17.350
Base-Backbone interact. energy: -0.022
local terms energy: -22.123620
where:
bonds (distance) C4'-P energy: -4.789
bonds (distance) P-C4' energy: -5.826
flat angles C4'-P-C4' energy: -3.770
flat angles P-C4'-P energy: -3.247
tors. eta vs tors. theta energy: -4.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -48.366962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.366962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.366962 (E_RNA)
where:
Base-Base interactions energy: -22.846
where: short stacking energy: -22.846
Base-Backbone interact. energy: -0.000
local terms energy: -25.520996
where:
bonds (distance) C4'-P energy: -4.044
bonds (distance) P-C4' energy: -5.191
flat angles C4'-P-C4' energy: -6.303
flat angles P-C4'-P energy: -3.158
tors. eta vs tors. theta energy: -6.825
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: 6, replica: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -45.095161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.095161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.095161 (E_RNA)
where:
Base-Base interactions energy: -22.501
where: short stacking energy: -10.490
Base-Backbone interact. energy: -0.003
local terms energy: -22.591874
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -4.505
flat angles P-C4'-P energy: -2.746
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -38.351530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.351530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.351530 (E_RNA)
where:
Base-Base interactions energy: -16.943
where: short stacking energy: -11.294
Base-Backbone interact. energy: -0.001
local terms energy: -21.407367
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -4.446
flat angles P-C4'-P energy: -1.476
tors. eta vs tors. theta energy: -4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -38.701449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.701449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.701449 (E_RNA)
where:
Base-Base interactions energy: -14.249
where: short stacking energy: -14.249
Base-Backbone interact. energy: -0.000
local terms energy: -24.452048
where:
bonds (distance) C4'-P energy: -5.306
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -5.848
flat angles P-C4'-P energy: -3.374
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -35.454077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.454077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.454077 (E_RNA)
where:
Base-Base interactions energy: -12.017
where: short stacking energy: -12.017
Base-Backbone interact. energy: -0.000
local terms energy: -23.436710
where:
bonds (distance) C4'-P energy: -3.965
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.015
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -30.326973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.326973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.326973 (E_RNA)
where:
Base-Base interactions energy: -8.941
where: short stacking energy: -8.941
Base-Backbone interact. energy: -0.001
local terms energy: -21.385033
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -6.100
flat angles C4'-P-C4' energy: -2.816
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: -1.974
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: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -39.997198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.997198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.997198 (E_RNA)
where:
Base-Base interactions energy: -15.528
where: short stacking energy: -10.410
Base-Backbone interact. energy: -0.549
local terms energy: -23.919589
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -5.785
flat angles P-C4'-P energy: -3.797
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -42.531626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.531626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.531626 (E_RNA)
where:
Base-Base interactions energy: -18.977
where: short stacking energy: -15.539
Base-Backbone interact. energy: -0.000
local terms energy: -23.554362
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.038
flat angles P-C4'-P energy: -2.990
tors. eta vs tors. theta energy: -1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -49.676971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.676971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.676971 (E_RNA)
where:
Base-Base interactions energy: -23.766
where: short stacking energy: -23.766
Base-Backbone interact. energy: -0.000
local terms energy: -25.911181
where:
bonds (distance) C4'-P energy: -2.889
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.302
flat angles P-C4'-P energy: -3.717
tors. eta vs tors. theta energy: -6.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -39.563856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.563856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.563856 (E_RNA)
where:
Base-Base interactions energy: -16.193
where: short stacking energy: -16.193
Base-Backbone interact. energy: -0.000
local terms energy: -23.371315
where:
bonds (distance) C4'-P energy: -3.485
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.421
flat angles P-C4'-P energy: -4.126
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -45.323555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.323555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.323555 (E_RNA)
where:
Base-Base interactions energy: -19.402
where: short stacking energy: -19.402
Base-Backbone interact. energy: -0.001
local terms energy: -25.920252
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -4.795
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: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -41.291383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.291383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.291383 (E_RNA)
where:
Base-Base interactions energy: -15.869
where: short stacking energy: -15.869
Base-Backbone interact. energy: -0.015
local terms energy: -25.407284
where:
bonds (distance) C4'-P energy: -2.801
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.785
flat angles P-C4'-P energy: -4.226
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -33.764622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.764622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.764622 (E_RNA)
where:
Base-Base interactions energy: -12.242
where: short stacking energy: -12.242
Base-Backbone interact. energy: -0.000
local terms energy: -21.522455
where:
bonds (distance) C4'-P energy: -3.795
bonds (distance) P-C4' energy: -5.709
flat angles C4'-P-C4' energy: -5.728
flat angles P-C4'-P energy: -3.462
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -40.997842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.997842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.997842 (E_RNA)
where:
Base-Base interactions energy: -14.938
where: short stacking energy: -14.938
Base-Backbone interact. energy: -0.000
local terms energy: -26.059881
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -5.584
flat angles P-C4'-P energy: -3.028
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -37.968114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.968114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.968114 (E_RNA)
where:
Base-Base interactions energy: -18.323
where: short stacking energy: -18.323
Base-Backbone interact. energy: -0.000
local terms energy: -19.645063
where:
bonds (distance) C4'-P energy: -3.397
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -3.275
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -38.558821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.558821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.558821 (E_RNA)
where:
Base-Base interactions energy: -12.341
where: short stacking energy: -12.341
Base-Backbone interact. energy: -0.000
local terms energy: -26.217572
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -5.458
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -51.921376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.921376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.921376 (E_RNA)
where:
Base-Base interactions energy: -26.993
where: short stacking energy: -19.369
Base-Backbone interact. energy: -0.002
local terms energy: -24.925484
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -5.467
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -2.816
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: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -43.002464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.002464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.002464 (E_RNA)
where:
Base-Base interactions energy: -18.169
where: short stacking energy: -18.169
Base-Backbone interact. energy: -0.000
local terms energy: -24.832962
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -4.363
flat angles C4'-P-C4' energy: -5.529
flat angles P-C4'-P energy: -4.922
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: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -47.690268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.690268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.690268 (E_RNA)
where:
Base-Base interactions energy: -25.835
where: short stacking energy: -16.910
Base-Backbone interact. energy: -0.005
local terms energy: -21.851077
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -5.512
flat angles C4'-P-C4' energy: -5.793
flat angles P-C4'-P energy: -2.311
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: 4, replica: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -43.490035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.490035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.490035 (E_RNA)
where:
Base-Base interactions energy: -19.750
where: short stacking energy: -19.750
Base-Backbone interact. energy: -0.000
local terms energy: -23.739910
where:
bonds (distance) C4'-P energy: -6.254
bonds (distance) P-C4' energy: -4.600
flat angles C4'-P-C4' energy: -6.485
flat angles P-C4'-P energy: -2.907
tors. eta vs tors. theta energy: -3.495
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: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -37.999636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.999636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.999636 (E_RNA)
where:
Base-Base interactions energy: -14.985
where: short stacking energy: -14.985
Base-Backbone interact. energy: -0.006
local terms energy: -23.008718
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -4.631
flat angles C4'-P-C4' energy: -5.742
flat angles P-C4'-P energy: -3.733
tors. eta vs tors. theta energy: -2.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -47.400295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.400295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.400295 (E_RNA)
where:
Base-Base interactions energy: -18.482
where: short stacking energy: -18.482
Base-Backbone interact. energy: -0.000
local terms energy: -28.918674
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -6.431
flat angles P-C4'-P energy: -3.839
tors. eta vs tors. theta energy: -6.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -35.454009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.454009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.454009 (E_RNA)
where:
Base-Base interactions energy: -13.655
where: short stacking energy: -13.945
Base-Backbone interact. energy: -0.055
local terms energy: -21.743834
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.926
flat angles P-C4'-P energy: -1.219
tors. eta vs tors. theta energy: -2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -42.263444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.263444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.263444 (E_RNA)
where:
Base-Base interactions energy: -16.709
where: short stacking energy: -16.709
Base-Backbone interact. energy: -0.008
local terms energy: -25.547339
where:
bonds (distance) C4'-P energy: -4.214
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -6.089
flat angles P-C4'-P energy: -4.643
tors. eta vs tors. theta energy: -4.373
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: 9, replica: 3
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -34.672940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.672940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.672940 (E_RNA)
where:
Base-Base interactions energy: -11.859
where: short stacking energy: -11.859
Base-Backbone interact. energy: -0.031
local terms energy: -22.783422
where:
bonds (distance) C4'-P energy: -5.589
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -2.868
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -31.949079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.949079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.949079 (E_RNA)
where:
Base-Base interactions energy: -11.912
where: short stacking energy: -11.912
Base-Backbone interact. energy: -0.101
local terms energy: -19.936178
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -5.506
flat angles C4'-P-C4' energy: -5.069
flat angles P-C4'-P energy: -2.683
tors. eta vs tors. theta energy: -1.277
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: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -52.302656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.302656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.302656 (E_RNA)
where:
Base-Base interactions energy: -24.540
where: short stacking energy: -24.540
Base-Backbone interact. energy: -0.000
local terms energy: -27.762694
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -4.621
flat angles C4'-P-C4' energy: -6.589
flat angles P-C4'-P energy: -5.175
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: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -45.834616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.834616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.834616 (E_RNA)
where:
Base-Base interactions energy: -17.386
where: short stacking energy: -17.386
Base-Backbone interact. energy: -0.025
local terms energy: -28.424284
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -6.127
flat angles P-C4'-P energy: -4.518
tors. eta vs tors. theta energy: -5.203
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: 9
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -44.906721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.906721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.906721 (E_RNA)
where:
Base-Base interactions energy: -19.545
where: short stacking energy: -12.101
Base-Backbone interact. energy: -0.143
local terms energy: -25.218728
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -4.874
flat angles C4'-P-C4' energy: -6.732
flat angles P-C4'-P energy: -4.596
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: 4, replica: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -40.542804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.542804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.542804 (E_RNA)
where:
Base-Base interactions energy: -17.117
where: short stacking energy: -16.933
Base-Backbone interact. energy: -0.031
local terms energy: -23.394203
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -4.660
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: -1.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -46.999956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.999956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.999956 (E_RNA)
where:
Base-Base interactions energy: -26.124
where: short stacking energy: -11.230
Base-Backbone interact. energy: -0.089
local terms energy: -20.786169
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -5.887
flat angles P-C4'-P energy: -0.080
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -44.088882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.088882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.088882 (E_RNA)
where:
Base-Base interactions energy: -24.407
where: short stacking energy: -12.601
Base-Backbone interact. energy: -0.254
local terms energy: -19.427275
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -4.165
flat angles C4'-P-C4' energy: -4.523
flat angles P-C4'-P energy: -2.805
tors. eta vs tors. theta energy: -2.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -43.067976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.067976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.067976 (E_RNA)
where:
Base-Base interactions energy: -20.838
where: short stacking energy: -20.838
Base-Backbone interact. energy: -0.000
local terms energy: -22.229538
where:
bonds (distance) C4'-P energy: -3.990
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -4.078
flat angles P-C4'-P energy: -3.933
tors. eta vs tors. theta energy: -3.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -38.072333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.072333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.072333 (E_RNA)
where:
Base-Base interactions energy: -17.737
where: short stacking energy: -17.737
Base-Backbone interact. energy: -0.021
local terms energy: -20.314856
where:
bonds (distance) C4'-P energy: -1.373
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -6.148
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: -1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -36.149385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.149385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.149385 (E_RNA)
where:
Base-Base interactions energy: -15.276
where: short stacking energy: -15.276
Base-Backbone interact. energy: -0.000
local terms energy: -20.873029
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -4.137
flat angles P-C4'-P energy: -3.254
tors. eta vs tors. theta energy: -1.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -33.947348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.947348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.947348 (E_RNA)
where:
Base-Base interactions energy: -11.769
where: short stacking energy: -11.769
Base-Backbone interact. energy: -0.080
local terms energy: -22.098121
where:
bonds (distance) C4'-P energy: -4.346
bonds (distance) P-C4' energy: -6.153
flat angles C4'-P-C4' energy: -6.279
flat angles P-C4'-P energy: -3.361
tors. eta vs tors. theta energy: -1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -50.250545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.250545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.250545 (E_RNA)
where:
Base-Base interactions energy: -28.235
where: short stacking energy: -15.754
Base-Backbone interact. energy: 0.051
local terms energy: -22.065884
where:
bonds (distance) C4'-P energy: -4.888
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -6.325
flat angles P-C4'-P energy: -1.962
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -50.034546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.034546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.034546 (E_RNA)
where:
Base-Base interactions energy: -22.362
where: short stacking energy: -22.362
Base-Backbone interact. energy: -0.000
local terms energy: -27.672000
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -5.177
flat angles C4'-P-C4' energy: -5.168
flat angles P-C4'-P energy: -5.107
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: 3, replica: 9
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -43.947468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.947468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.947468 (E_RNA)
where:
Base-Base interactions energy: -21.538
where: short stacking energy: -14.883
Base-Backbone interact. energy: -0.046
local terms energy: -22.363275
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.478
flat angles P-C4'-P energy: -3.057
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -36.467772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.467772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.467772 (E_RNA)
where:
Base-Base interactions energy: -14.633
where: short stacking energy: -14.633
Base-Backbone interact. energy: -0.000
local terms energy: -21.834287
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -4.925
flat angles P-C4'-P energy: -0.587
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -33.855335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.855335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.855335 (E_RNA)
where:
Base-Base interactions energy: -11.027
where: short stacking energy: -8.632
Base-Backbone interact. energy: -0.003
local terms energy: -22.825722
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -5.576
flat angles C4'-P-C4' energy: -6.358
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -0.958
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: 1
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -38.384084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.384084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.384084 (E_RNA)
where:
Base-Base interactions energy: -15.320
where: short stacking energy: -15.320
Base-Backbone interact. energy: -0.000
local terms energy: -23.064535
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -5.572
flat angles C4'-P-C4' energy: -5.711
flat angles P-C4'-P energy: -3.408
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -32.300778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.300778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.300778 (E_RNA)
where:
Base-Base interactions energy: -10.672
where: short stacking energy: -10.672
Base-Backbone interact. energy: -0.000
local terms energy: -21.629229
where:
bonds (distance) C4'-P energy: -3.572
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -4.333
flat angles P-C4'-P energy: -4.046
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -39.600671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.600671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.600671 (E_RNA)
where:
Base-Base interactions energy: -16.933
where: short stacking energy: -16.933
Base-Backbone interact. energy: -0.000
local terms energy: -22.667871
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -5.131
flat angles C4'-P-C4' energy: -3.877
flat angles P-C4'-P energy: -4.100
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: 9, replica: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -31.059959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.059959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.059959 (E_RNA)
where:
Base-Base interactions energy: -11.757
where: short stacking energy: -8.003
Base-Backbone interact. energy: 0.134
local terms energy: -19.436945
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -3.460
flat angles P-C4'-P energy: -3.431
tors. eta vs tors. theta energy: -1.326
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: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -32.083616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.083616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.083616 (E_RNA)
where:
Base-Base interactions energy: -12.621
where: short stacking energy: -12.621
Base-Backbone interact. energy: -0.040
local terms energy: -19.422021
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -2.864
flat angles C4'-P-C4' energy: -4.085
flat angles P-C4'-P energy: -1.414
tors. eta vs tors. theta energy: -4.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -54.533523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.533523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.533523 (E_RNA)
where:
Base-Base interactions energy: -32.426
where: short stacking energy: -18.214
Base-Backbone interact. energy: -0.047
local terms energy: -22.060696
where:
bonds (distance) C4'-P energy: -3.766
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -6.116
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: -1.225
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: 2, replica: 9
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -43.026743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.026743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.026743 (E_RNA)
where:
Base-Base interactions energy: -21.703
where: short stacking energy: -10.382
Base-Backbone interact. energy: -0.087
local terms energy: -21.236782
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -5.000
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: 3, replica: 5
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -48.773513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.773513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.773513 (E_RNA)
where:
Base-Base interactions energy: -23.450
where: short stacking energy: -23.450
Base-Backbone interact. energy: -0.000
local terms energy: -25.323034
where:
bonds (distance) C4'-P energy: -4.284
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -6.310
flat angles P-C4'-P energy: -3.749
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: 4, replica: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -45.130123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.130123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.130123 (E_RNA)
where:
Base-Base interactions energy: -27.474
where: short stacking energy: -14.606
Base-Backbone interact. energy: -0.002
local terms energy: -17.654034
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -4.643
flat angles C4'-P-C4' energy: -5.834
flat angles P-C4'-P energy: -1.131
tors. eta vs tors. theta energy: -0.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -38.903490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.903490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.903490 (E_RNA)
where:
Base-Base interactions energy: -13.240
where: short stacking energy: -11.837
Base-Backbone interact. energy: -0.022
local terms energy: -25.641737
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.861
flat angles C4'-P-C4' energy: -5.568
flat angles P-C4'-P energy: -4.289
tors. eta vs tors. theta energy: -3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -36.834181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.834181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.834181 (E_RNA)
where:
Base-Base interactions energy: -12.896
where: short stacking energy: -12.896
Base-Backbone interact. energy: -0.001
local terms energy: -23.938024
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -5.133
flat angles P-C4'-P energy: -3.026
tors. eta vs tors. theta energy: -2.940
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: 1
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -38.931762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.931762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.931762 (E_RNA)
where:
Base-Base interactions energy: -18.092
where: short stacking energy: -18.092
Base-Backbone interact. energy: -0.001
local terms energy: -20.838727
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -5.409
flat angles P-C4'-P energy: -3.027
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -33.639831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.639831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.639831 (E_RNA)
where:
Base-Base interactions energy: -12.085
where: short stacking energy: -8.333
Base-Backbone interact. energy: -0.006
local terms energy: -21.548931
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -5.429
flat angles C4'-P-C4' energy: -4.709
flat angles P-C4'-P energy: -3.928
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: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -35.416401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.416401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.416401 (E_RNA)
where:
Base-Base interactions energy: -12.927
where: short stacking energy: -12.927
Base-Backbone interact. energy: -0.000
local terms energy: -22.489724
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.826
flat angles P-C4'-P energy: -2.704
tors. eta vs tors. theta energy: -2.724
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: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -34.201795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.201795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.201795 (E_RNA)
where:
Base-Base interactions energy: -12.961
where: short stacking energy: -12.961
Base-Backbone interact. energy: -0.002
local terms energy: -21.239497
where:
bonds (distance) C4'-P energy: -3.688
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -2.940
flat angles P-C4'-P energy: -4.722
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: 1, replica: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -52.347772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.347772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.347772 (E_RNA)
where:
Base-Base interactions energy: -24.351
where: short stacking energy: -24.351
Base-Backbone interact. energy: -0.000
local terms energy: -27.996818
where:
bonds (distance) C4'-P energy: -5.277
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.684
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -7.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -45.010814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.010814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.010814 (E_RNA)
where:
Base-Base interactions energy: -17.373
where: short stacking energy: -17.373
Base-Backbone interact. energy: -0.000
local terms energy: -27.637839
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -5.680
flat angles P-C4'-P energy: -3.927
tors. eta vs tors. theta energy: -5.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -47.289588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.289588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.289588 (E_RNA)
where:
Base-Base interactions energy: -19.204
where: short stacking energy: -19.204
Base-Backbone interact. energy: -0.001
local terms energy: -28.084616
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -4.548
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: -6.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -46.613533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.613533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.613533 (E_RNA)
where:
Base-Base interactions energy: -19.526
where: short stacking energy: -19.526
Base-Backbone interact. energy: -0.000
local terms energy: -27.087303
where:
bonds (distance) C4'-P energy: -4.603
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.205
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -48.538210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.538210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.538210 (E_RNA)
where:
Base-Base interactions energy: -20.645
where: short stacking energy: -20.645
Base-Backbone interact. energy: -0.000
local terms energy: -27.893338
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -3.642
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -6.637
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: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -45.848050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.848050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.848050 (E_RNA)
where:
Base-Base interactions energy: -18.770
where: short stacking energy: -18.770
Base-Backbone interact. energy: -0.000
local terms energy: -27.078357
where:
bonds (distance) C4'-P energy: -4.743
bonds (distance) P-C4' energy: -5.279
flat angles C4'-P-C4' energy: -6.573
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -36.555701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.555701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.555701 (E_RNA)
where:
Base-Base interactions energy: -18.889
where: short stacking energy: -18.889
Base-Backbone interact. energy: -0.095
local terms energy: -17.571959
where:
bonds (distance) C4'-P energy: -5.348
bonds (distance) P-C4' energy: -2.398
flat angles C4'-P-C4' energy: -6.133
flat angles P-C4'-P energy: 0.120
tors. eta vs tors. theta energy: -3.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -37.308761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.308761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.308761 (E_RNA)
where:
Base-Base interactions energy: -16.442
where: short stacking energy: -11.641
Base-Backbone interact. energy: -0.093
local terms energy: -20.773464
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -4.757
flat angles P-C4'-P energy: -3.445
tors. eta vs tors. theta energy: -1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -35.431180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.431180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.431180 (E_RNA)
where:
Base-Base interactions energy: -12.224
where: short stacking energy: -12.224
Base-Backbone interact. energy: -0.274
local terms energy: -22.933320
where:
bonds (distance) C4'-P energy: -5.253
bonds (distance) P-C4' energy: -3.776
flat angles C4'-P-C4' energy: -6.203
flat angles P-C4'-P energy: -3.596
tors. eta vs tors. theta energy: -4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -32.807256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.807256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.807256 (E_RNA)
where:
Base-Base interactions energy: -16.593
where: short stacking energy: -11.647
Base-Backbone interact. energy: -0.029
local terms energy: -16.184510
where:
bonds (distance) C4'-P energy: -4.337
bonds (distance) P-C4' energy: -5.773
flat angles C4'-P-C4' energy: -3.846
flat angles P-C4'-P energy: -0.924
tors. eta vs tors. theta energy: -1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -56.021839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.021839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.021839 (E_RNA)
where:
Base-Base interactions energy: -30.471
where: short stacking energy: -15.189
Base-Backbone interact. energy: -0.013
local terms energy: -25.538397
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -5.145
flat angles P-C4'-P energy: -3.528
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -48.642768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.642768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.642768 (E_RNA)
where:
Base-Base interactions energy: -19.934
where: short stacking energy: -19.934
Base-Backbone interact. energy: -0.000
local terms energy: -28.708917
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.753
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -7.895
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: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -48.921259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.921259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.921259 (E_RNA)
where:
Base-Base interactions energy: -20.862
where: short stacking energy: -20.862
Base-Backbone interact. energy: -0.000
local terms energy: -28.059333
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -6.430
flat angles P-C4'-P energy: -3.069
tors. eta vs tors. theta energy: -6.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -51.484876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.484876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.484876 (E_RNA)
where:
Base-Base interactions energy: -32.687
where: short stacking energy: -12.059
Base-Backbone interact. energy: -0.078
local terms energy: -18.720415
where:
bonds (distance) C4'-P energy: -5.278
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -4.453
flat angles P-C4'-P energy: -3.249
tors. eta vs tors. theta energy: 0.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -39.193631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.193631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.193631 (E_RNA)
where:
Base-Base interactions energy: -15.075
where: short stacking energy: -15.075
Base-Backbone interact. energy: -0.001
local terms energy: -24.118284
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -4.308
flat angles P-C4'-P energy: -3.956
tors. eta vs tors. theta energy: -3.236
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: 6, replica: 4
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -40.673669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.673669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.673669 (E_RNA)
where:
Base-Base interactions energy: -16.669
where: short stacking energy: -16.669
Base-Backbone interact. energy: -0.000
local terms energy: -24.004949
where:
bonds (distance) C4'-P energy: -2.206
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.189
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -36.753444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.753444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.753444 (E_RNA)
where:
Base-Base interactions energy: -12.910
where: short stacking energy: -12.910
Base-Backbone interact. energy: -0.001
local terms energy: -23.843008
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -4.420
flat angles C4'-P-C4' energy: -5.854
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -35.278967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.278967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.278967 (E_RNA)
where:
Base-Base interactions energy: -15.874
where: short stacking energy: -15.874
Base-Backbone interact. energy: -0.000
local terms energy: -19.404663
where:
bonds (distance) C4'-P energy: -2.483
bonds (distance) P-C4' energy: -6.358
flat angles C4'-P-C4' energy: -6.056
flat angles P-C4'-P energy: -1.278
tors. eta vs tors. theta energy: -3.230
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: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -33.706754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.706754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.706754 (E_RNA)
where:
Base-Base interactions energy: -13.941
where: short stacking energy: -13.941
Base-Backbone interact. energy: -0.000
local terms energy: -19.765931
where:
bonds (distance) C4'-P energy: -3.034
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -3.189
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -34.814301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.814301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.814301 (E_RNA)
where:
Base-Base interactions energy: -13.003
where: short stacking energy: -13.003
Base-Backbone interact. energy: -0.000
local terms energy: -21.811647
where:
bonds (distance) C4'-P energy: -3.337
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -5.405
flat angles P-C4'-P energy: -5.027
tors. eta vs tors. theta energy: -2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -47.108780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.108780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.108780 (E_RNA)
where:
Base-Base interactions energy: -20.158
where: short stacking energy: -20.158
Base-Backbone interact. energy: -0.000
local terms energy: -26.950552
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.810
flat angles P-C4'-P energy: -2.931
tors. eta vs tors. theta energy: -6.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -52.562169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.562169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.562169 (E_RNA)
where:
Base-Base interactions energy: -25.691
where: short stacking energy: -14.799
Base-Backbone interact. energy: -0.722
local terms energy: -26.149503
where:
bonds (distance) C4'-P energy: -6.276
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.853
flat angles P-C4'-P energy: -3.834
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: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -45.128692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.128692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.128692 (E_RNA)
where:
Base-Base interactions energy: -22.226
where: short stacking energy: -22.226
Base-Backbone interact. energy: -0.002
local terms energy: -22.900434
where:
bonds (distance) C4'-P energy: -5.729
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -4.317
flat angles P-C4'-P energy: -1.617
tors. eta vs tors. theta energy: -4.788
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: 468
Temperature: 1.050000
Total energy: -42.011893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.011893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.011893 (E_RNA)
where:
Base-Base interactions energy: -18.044
where: short stacking energy: -18.044
Base-Backbone interact. energy: -0.018
local terms energy: -23.949931
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -5.890
flat angles P-C4'-P energy: -3.878
tors. eta vs tors. theta energy: -2.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -41.734030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.734030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.734030 (E_RNA)
where:
Base-Base interactions energy: -22.558
where: short stacking energy: -12.656
Base-Backbone interact. energy: -0.041
local terms energy: -19.135061
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -4.030
flat angles P-C4'-P energy: -1.856
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: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -32.870344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.870344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.870344 (E_RNA)
where:
Base-Base interactions energy: -9.412
where: short stacking energy: -9.412
Base-Backbone interact. energy: -0.000
local terms energy: -23.458367
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.594
flat angles C4'-P-C4' energy: -4.179
flat angles P-C4'-P energy: -3.849
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: 7, replica: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -43.066709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.066709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.066709 (E_RNA)
where:
Base-Base interactions energy: -19.249
where: short stacking energy: -19.249
Base-Backbone interact. energy: -0.000
local terms energy: -23.817627
where:
bonds (distance) C4'-P energy: -4.731
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -4.547
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -36.574107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.574107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.574107 (E_RNA)
where:
Base-Base interactions energy: -12.642
where: short stacking energy: -10.389
Base-Backbone interact. energy: 0.440
local terms energy: -24.371724
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -4.843
flat angles C4'-P-C4' energy: -6.343
flat angles P-C4'-P energy: -5.224
tors. eta vs tors. theta energy: -2.585
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: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -34.389815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.389815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.389815 (E_RNA)
where:
Base-Base interactions energy: -12.011
where: short stacking energy: -12.011
Base-Backbone interact. energy: -0.000
local terms energy: -22.379209
where:
bonds (distance) C4'-P energy: -4.285
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -6.047
flat angles P-C4'-P energy: -3.122
tors. eta vs tors. theta energy: -2.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -35.248819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.248819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.248819 (E_RNA)
where:
Base-Base interactions energy: -17.078
where: short stacking energy: -11.422
Base-Backbone interact. energy: -0.161
local terms energy: -18.010243
where:
bonds (distance) C4'-P energy: -4.392
bonds (distance) P-C4' energy: -3.653
flat angles C4'-P-C4' energy: -4.004
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: -1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -40.620275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.620275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.620275 (E_RNA)
where:
Base-Base interactions energy: -18.528
where: short stacking energy: -18.528
Base-Backbone interact. energy: -0.000
local terms energy: -22.091771
where:
bonds (distance) C4'-P energy: -4.177
bonds (distance) P-C4' energy: -5.864
flat angles C4'-P-C4' energy: -5.482
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: -2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -42.668307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.668307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.668307 (E_RNA)
where:
Base-Base interactions energy: -18.561
where: short stacking energy: -18.561
Base-Backbone interact. energy: -0.004
local terms energy: -24.103369
where:
bonds (distance) C4'-P energy: -4.983
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -4.195
flat angles P-C4'-P energy: -3.336
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: 3, replica: 9
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -40.696416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.696416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.696416 (E_RNA)
where:
Base-Base interactions energy: -15.281
where: short stacking energy: -15.281
Base-Backbone interact. energy: -0.001
local terms energy: -25.414961
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -5.703
flat angles P-C4'-P energy: -4.307
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: 4, replica: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -47.878126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.878126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.878126 (E_RNA)
where:
Base-Base interactions energy: -21.134
where: short stacking energy: -21.134
Base-Backbone interact. energy: -0.000
local terms energy: -26.744261
where:
bonds (distance) C4'-P energy: -5.207
bonds (distance) P-C4' energy: -6.876
flat angles C4'-P-C4' energy: -6.244
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -43.070891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.070891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.070891 (E_RNA)
where:
Base-Base interactions energy: -20.404
where: short stacking energy: -20.404
Base-Backbone interact. energy: -0.000
local terms energy: -22.667074
where:
bonds (distance) C4'-P energy: -5.928
bonds (distance) P-C4' energy: -3.907
flat angles C4'-P-C4' energy: -5.092
flat angles P-C4'-P energy: -3.170
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: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -36.683838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.683838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.683838 (E_RNA)
where:
Base-Base interactions energy: -12.226
where: short stacking energy: -12.226
Base-Backbone interact. energy: -0.000
local terms energy: -24.457984
where:
bonds (distance) C4'-P energy: -5.427
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -5.325
flat angles P-C4'-P energy: -4.775
tors. eta vs tors. theta energy: -2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -34.430390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.430390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.430390 (E_RNA)
where:
Base-Base interactions energy: -8.761
where: short stacking energy: -8.761
Base-Backbone interact. energy: -0.166
local terms energy: -25.503817
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -6.103
flat angles P-C4'-P energy: -3.199
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -34.794858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.794858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.794858 (E_RNA)
where:
Base-Base interactions energy: -15.150
where: short stacking energy: -15.150
Base-Backbone interact. energy: -0.002
local terms energy: -19.643354
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -3.715
flat angles C4'-P-C4' energy: -6.341
flat angles P-C4'-P energy: 1.162
tors. eta vs tors. theta energy: -5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -37.253130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.253130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.253130 (E_RNA)
where:
Base-Base interactions energy: -11.347
where: short stacking energy: -11.347
Base-Backbone interact. energy: -0.000
local terms energy: -25.906316
where:
bonds (distance) C4'-P energy: -6.168
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.467
flat angles P-C4'-P energy: -3.194
tors. eta vs tors. theta energy: -4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -36.412117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.412117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.412117 (E_RNA)
where:
Base-Base interactions energy: -13.496
where: short stacking energy: -11.700
Base-Backbone interact. energy: -0.000
local terms energy: -22.915662
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -4.373
flat angles P-C4'-P energy: -3.331
tors. eta vs tors. theta energy: -2.850
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: 1, replica: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -43.378451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.378451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.378451 (E_RNA)
where:
Base-Base interactions energy: -16.765
where: short stacking energy: -16.765
Base-Backbone interact. energy: -0.022
local terms energy: -26.591585
where:
bonds (distance) C4'-P energy: -5.285
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.870
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -47.433945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.433945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.433945 (E_RNA)
where:
Base-Base interactions energy: -23.125
where: short stacking energy: -23.125
Base-Backbone interact. energy: -0.000
local terms energy: -24.308911
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -4.589
flat angles C4'-P-C4' energy: -5.363
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -46.309981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.309981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.309981 (E_RNA)
where:
Base-Base interactions energy: -18.469
where: short stacking energy: -18.469
Base-Backbone interact. energy: -0.000
local terms energy: -27.841155
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.347
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -35.965253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.965253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.965253 (E_RNA)
where:
Base-Base interactions energy: -14.078
where: short stacking energy: -14.078
Base-Backbone interact. energy: -0.005
local terms energy: -21.882344
where:
bonds (distance) C4'-P energy: -4.905
bonds (distance) P-C4' energy: -4.420
flat angles C4'-P-C4' energy: -4.887
flat angles P-C4'-P energy: -4.107
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -41.974152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.974152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.974152 (E_RNA)
where:
Base-Base interactions energy: -17.485
where: short stacking energy: -17.485
Base-Backbone interact. energy: -0.000
local terms energy: -24.489441
where:
bonds (distance) C4'-P energy: -3.212
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -4.309
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: -6.516
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: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -40.422511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.422511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.422511 (E_RNA)
where:
Base-Base interactions energy: -17.132
where: short stacking energy: -17.132
Base-Backbone interact. energy: -0.000
local terms energy: -23.290215
where:
bonds (distance) C4'-P energy: -4.391
bonds (distance) P-C4' energy: -4.920
flat angles C4'-P-C4' energy: -5.730
flat angles P-C4'-P energy: -3.439
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -35.057513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.057513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.057513 (E_RNA)
where:
Base-Base interactions energy: -11.487
where: short stacking energy: -11.787
Base-Backbone interact. energy: -0.053
local terms energy: -23.516771
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.820
flat angles P-C4'-P energy: -3.826
tors. eta vs tors. theta energy: -2.443
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: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -35.152590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.152590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.152590 (E_RNA)
where:
Base-Base interactions energy: -15.704
where: short stacking energy: -15.704
Base-Backbone interact. energy: -0.009
local terms energy: -19.439502
where:
bonds (distance) C4'-P energy: -3.973
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -4.839
flat angles P-C4'-P energy: -1.489
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: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -34.482867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.482867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.482867 (E_RNA)
where:
Base-Base interactions energy: -11.538
where: short stacking energy: -11.538
Base-Backbone interact. energy: -0.000
local terms energy: -22.944222
where:
bonds (distance) C4'-P energy: -4.797
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -3.779
flat angles P-C4'-P energy: -4.687
tors. eta vs tors. theta energy: -3.488
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: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -36.274074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.274074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.274074 (E_RNA)
where:
Base-Base interactions energy: -12.295
where: short stacking energy: -11.970
Base-Backbone interact. energy: -0.000
local terms energy: -23.978168
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -5.177
flat angles P-C4'-P energy: -4.665
tors. eta vs tors. theta energy: -3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -48.466657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.466657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.466657 (E_RNA)
where:
Base-Base interactions energy: -21.509
where: short stacking energy: -21.509
Base-Backbone interact. energy: -0.000
local terms energy: -26.957896
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -4.641
flat angles P-C4'-P energy: -4.628
tors. eta vs tors. theta energy: -5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -44.649737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.649737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.649737 (E_RNA)
where:
Base-Base interactions energy: -14.935
where: short stacking energy: -14.935
Base-Backbone interact. energy: -0.000
local terms energy: -29.714233
where:
bonds (distance) C4'-P energy: -5.543
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -6.535
flat angles P-C4'-P energy: -4.428
tors. eta vs tors. theta energy: -7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -41.800479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.800479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.800479 (E_RNA)
where:
Base-Base interactions energy: -17.815
where: short stacking energy: -17.815
Base-Backbone interact. energy: -0.068
local terms energy: -23.917528
where:
bonds (distance) C4'-P energy: -6.105
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -6.662
flat angles P-C4'-P energy: -1.677
tors. eta vs tors. theta energy: -2.851
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: 471
Temperature: 1.050000
Total energy: -44.660461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.660461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.660461 (E_RNA)
where:
Base-Base interactions energy: -20.220
where: short stacking energy: -20.220
Base-Backbone interact. energy: -0.000
local terms energy: -24.440632
where:
bonds (distance) C4'-P energy: -1.725
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.692
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -42.053553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.053553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.053553 (E_RNA)
where:
Base-Base interactions energy: -20.375
where: short stacking energy: -20.375
Base-Backbone interact. energy: -0.000
local terms energy: -21.678564
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -4.521
flat angles P-C4'-P energy: -0.385
tors. eta vs tors. theta energy: -5.042
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: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -43.673395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.673395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.673395 (E_RNA)
where:
Base-Base interactions energy: -17.584
where: short stacking energy: -17.584
Base-Backbone interact. energy: -0.000
local terms energy: -26.089093
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.936
flat angles P-C4'-P energy: -2.462
tors. eta vs tors. theta energy: -5.716
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: 3
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -40.017285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.017285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.017285 (E_RNA)
where:
Base-Base interactions energy: -16.626
where: short stacking energy: -16.626
Base-Backbone interact. energy: -0.007
local terms energy: -23.383916
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -3.416
flat angles C4'-P-C4' energy: -5.233
flat angles P-C4'-P energy: -4.200
tors. eta vs tors. theta energy: -4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -42.506772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.506772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.506772 (E_RNA)
where:
Base-Base interactions energy: -15.640
where: short stacking energy: -15.640
Base-Backbone interact. energy: -0.001
local terms energy: -26.866075
where:
bonds (distance) C4'-P energy: -4.880
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -5.202
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -4.231
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: 471
Temperature: 1.300000
Total energy: -33.186242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.186242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.186242 (E_RNA)
where:
Base-Base interactions energy: -14.250
where: short stacking energy: -14.250
Base-Backbone interact. energy: -0.025
local terms energy: -18.911960
where:
bonds (distance) C4'-P energy: -5.944
bonds (distance) P-C4' energy: -3.997
flat angles C4'-P-C4' energy: -3.925
flat angles P-C4'-P energy: -3.717
tors. eta vs tors. theta energy: -1.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -36.049602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.049602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.049602 (E_RNA)
where:
Base-Base interactions energy: -10.174
where: short stacking energy: -10.174
Base-Backbone interact. energy: -0.000
local terms energy: -25.875101
where:
bonds (distance) C4'-P energy: -6.098
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -6.098
flat angles P-C4'-P energy: -4.389
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -50.155582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.155582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.155582 (E_RNA)
where:
Base-Base interactions energy: -23.227
where: short stacking energy: -23.227
Base-Backbone interact. energy: -0.000
local terms energy: -26.928947
where:
bonds (distance) C4'-P energy: -4.763
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -5.372
flat angles P-C4'-P energy: -3.776
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -50.063063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.063063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.063063 (E_RNA)
where:
Base-Base interactions energy: -26.759
where: short stacking energy: -13.941
Base-Backbone interact. energy: -0.001
local terms energy: -23.303302
where:
bonds (distance) C4'-P energy: -4.523
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.782
flat angles P-C4'-P energy: -4.205
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: 3, replica: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -44.701593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.701593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.701593 (E_RNA)
where:
Base-Base interactions energy: -18.529
where: short stacking energy: -18.529
Base-Backbone interact. energy: -0.000
local terms energy: -26.172779
where:
bonds (distance) C4'-P energy: -3.941
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -5.900
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -43.412305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.412305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.412305 (E_RNA)
where:
Base-Base interactions energy: -16.604
where: short stacking energy: -16.604
Base-Backbone interact. energy: -0.000
local terms energy: -26.808042
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -6.363
flat angles P-C4'-P energy: -2.929
tors. eta vs tors. theta energy: -5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -38.559791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.559791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.559791 (E_RNA)
where:
Base-Base interactions energy: -14.629
where: short stacking energy: -14.629
Base-Backbone interact. energy: -0.099
local terms energy: -23.831789
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -5.131
flat angles C4'-P-C4' energy: -5.373
flat angles P-C4'-P energy: -4.791
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: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -40.697296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.697296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.697296 (E_RNA)
where:
Base-Base interactions energy: -17.412
where: short stacking energy: -17.412
Base-Backbone interact. energy: -0.100
local terms energy: -23.185167
where:
bonds (distance) C4'-P energy: -5.340
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -6.114
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -1.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -31.957433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.957433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.957433 (E_RNA)
where:
Base-Base interactions energy: -13.672
where: short stacking energy: -13.672
Base-Backbone interact. energy: -0.100
local terms energy: -18.185822
where:
bonds (distance) C4'-P energy: -4.135
bonds (distance) P-C4' energy: -4.144
flat angles C4'-P-C4' energy: -3.828
flat angles P-C4'-P energy: -3.508
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: 8, replica: 3
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -35.152261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.152261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.152261 (E_RNA)
where:
Base-Base interactions energy: -14.618
where: short stacking energy: -13.505
Base-Backbone interact. energy: -0.006
local terms energy: -20.528520
where:
bonds (distance) C4'-P energy: -3.704
bonds (distance) P-C4' energy: -6.392
flat angles C4'-P-C4' energy: -6.083
flat angles P-C4'-P energy: -3.270
tors. eta vs tors. theta energy: -1.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -34.327811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.327811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.327811 (E_RNA)
where:
Base-Base interactions energy: -16.479
where: short stacking energy: -16.479
Base-Backbone interact. energy: -0.000
local terms energy: -17.849004
where:
bonds (distance) C4'-P energy: -2.446
bonds (distance) P-C4' energy: -6.407
flat angles C4'-P-C4' energy: -4.469
flat angles P-C4'-P energy: -2.026
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: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -31.382561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.382561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.382561 (E_RNA)
where:
Base-Base interactions energy: -14.493
where: short stacking energy: -14.493
Base-Backbone interact. energy: -0.000
local terms energy: -16.889186
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -3.394
flat angles P-C4'-P energy: 0.644
tors. eta vs tors. theta energy: -2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -50.452082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.452082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.452082 (E_RNA)
where:
Base-Base interactions energy: -21.939
where: short stacking energy: -21.939
Base-Backbone interact. energy: -0.000
local terms energy: -28.513426
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -5.959
flat angles P-C4'-P energy: -4.131
tors. eta vs tors. theta energy: -5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -45.008281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.008281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.008281 (E_RNA)
where:
Base-Base interactions energy: -19.377
where: short stacking energy: -19.377
Base-Backbone interact. energy: -0.001
local terms energy: -25.630574
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.227
flat angles P-C4'-P energy: -4.746
tors. eta vs tors. theta energy: -3.210
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: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -43.059098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.059098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.059098 (E_RNA)
where:
Base-Base interactions energy: -18.413
where: short stacking energy: -18.413
Base-Backbone interact. energy: -0.005
local terms energy: -24.641027
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -4.649
flat angles P-C4'-P energy: -3.145
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -48.521405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.521405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.521405 (E_RNA)
where:
Base-Base interactions energy: -25.246
where: short stacking energy: -25.246
Base-Backbone interact. energy: -0.000
local terms energy: -23.274958
where:
bonds (distance) C4'-P energy: -5.128
bonds (distance) P-C4' energy: -3.051
flat angles C4'-P-C4' energy: -4.702
flat angles P-C4'-P energy: -3.626
tors. eta vs tors. theta energy: -6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -39.419319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.419319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.419319 (E_RNA)
where:
Base-Base interactions energy: -15.806
where: short stacking energy: -13.646
Base-Backbone interact. energy: -1.107
local terms energy: -22.506194
where:
bonds (distance) C4'-P energy: -4.399
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -4.983
flat angles P-C4'-P energy: -3.682
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -43.221311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.221311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.221311 (E_RNA)
where:
Base-Base interactions energy: -23.286
where: short stacking energy: -15.405
Base-Backbone interact. energy: 0.590
local terms energy: -20.524997
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -2.350
flat angles P-C4'-P energy: -3.263
tors. eta vs tors. theta energy: -2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -35.901385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.901385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.901385 (E_RNA)
where:
Base-Base interactions energy: -17.238
where: short stacking energy: -4.106
Base-Backbone interact. energy: -0.072
local terms energy: -18.591296
where:
bonds (distance) C4'-P energy: -5.589
bonds (distance) P-C4' energy: -4.460
flat angles C4'-P-C4' energy: -2.098
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -31.522214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.522214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.522214 (E_RNA)
where:
Base-Base interactions energy: -9.629
where: short stacking energy: -9.629
Base-Backbone interact. energy: -0.008
local terms energy: -21.885177
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -4.994
flat angles C4'-P-C4' energy: -5.378
flat angles P-C4'-P energy: -5.192
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: 9, replica: 3
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -38.381131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.381131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.381131 (E_RNA)
where:
Base-Base interactions energy: -16.251
where: short stacking energy: -7.420
Base-Backbone interact. energy: -0.001
local terms energy: -22.129452
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -6.170
flat angles P-C4'-P energy: -2.175
tors. eta vs tors. theta energy: -1.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -34.622059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.622059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.622059 (E_RNA)
where:
Base-Base interactions energy: -11.465
where: short stacking energy: -11.465
Base-Backbone interact. energy: -0.110
local terms energy: -23.046873
where:
bonds (distance) C4'-P energy: -4.993
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -4.876
flat angles P-C4'-P energy: -4.187
tors. eta vs tors. theta energy: -2.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -49.676890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.676890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.676890 (E_RNA)
where:
Base-Base interactions energy: -21.316
where: short stacking energy: -21.316
Base-Backbone interact. energy: -0.000
local terms energy: -28.360835
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.977
flat angles P-C4'-P energy: -3.336
tors. eta vs tors. theta energy: -7.268
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: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -47.514262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.514262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.514262 (E_RNA)
where:
Base-Base interactions energy: -18.719
where: short stacking energy: -18.719
Base-Backbone interact. energy: -0.005
local terms energy: -28.790600
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -6.273
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -4.827
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: 9
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -45.354911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.354911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.354911 (E_RNA)
where:
Base-Base interactions energy: -19.826
where: short stacking energy: -19.826
Base-Backbone interact. energy: -0.353
local terms energy: -25.175473
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.428
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -40.371910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.371910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.371910 (E_RNA)
where:
Base-Base interactions energy: -20.042
where: short stacking energy: -20.042
Base-Backbone interact. energy: -0.007
local terms energy: -20.322440
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -3.733
flat angles C4'-P-C4' energy: -1.679
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -5.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -37.743432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.743432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.743432 (E_RNA)
where:
Base-Base interactions energy: -15.054
where: short stacking energy: -15.054
Base-Backbone interact. energy: -0.029
local terms energy: -22.660934
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -3.136
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -34.703409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.703409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.703409 (E_RNA)
where:
Base-Base interactions energy: -12.136
where: short stacking energy: -12.136
Base-Backbone interact. energy: -0.000
local terms energy: -22.567499
where:
bonds (distance) C4'-P energy: -4.276
bonds (distance) P-C4' energy: -6.153
flat angles C4'-P-C4' energy: -5.805
flat angles P-C4'-P energy: -3.946
tors. eta vs tors. theta energy: -2.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -31.821342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.821342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.821342 (E_RNA)
where:
Base-Base interactions energy: -8.736
where: short stacking energy: -8.736
Base-Backbone interact. energy: -0.014
local terms energy: -23.071037
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.554
flat angles P-C4'-P energy: -3.653
tors. eta vs tors. theta energy: -1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -36.465021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.465021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.465021 (E_RNA)
where:
Base-Base interactions energy: -14.990
where: short stacking energy: -14.990
Base-Backbone interact. energy: -0.022
local terms energy: -21.453052
where:
bonds (distance) C4'-P energy: -5.306
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -4.219
flat angles P-C4'-P energy: -2.597
tors. eta vs tors. theta energy: -2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -33.395570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.395570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.395570 (E_RNA)
where:
Base-Base interactions energy: -12.348
where: short stacking energy: -12.348
Base-Backbone interact. energy: -0.000
local terms energy: -21.047124
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -4.552
flat angles P-C4'-P energy: -2.499
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -32.771860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.771860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.771860 (E_RNA)
where:
Base-Base interactions energy: -13.246
where: short stacking energy: -13.246
Base-Backbone interact. energy: -0.000
local terms energy: -19.525453
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -5.748
flat angles C4'-P-C4' energy: -4.266
flat angles P-C4'-P energy: -2.615
tors. eta vs tors. theta energy: -0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -49.085074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.085074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.085074 (E_RNA)
where:
Base-Base interactions energy: -22.451
where: short stacking energy: -22.451
Base-Backbone interact. energy: -0.000
local terms energy: -26.633577
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -5.678
flat angles C4'-P-C4' energy: -4.524
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -5.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -43.665034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.665034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.665034 (E_RNA)
where:
Base-Base interactions energy: -18.969
where: short stacking energy: -18.969
Base-Backbone interact. energy: -0.009
local terms energy: -24.687063
where:
bonds (distance) C4'-P energy: -4.159
bonds (distance) P-C4' energy: -4.822
flat angles C4'-P-C4' energy: -6.101
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -35.785083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.785083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.785083 (E_RNA)
where:
Base-Base interactions energy: -12.315
where: short stacking energy: -12.315
Base-Backbone interact. energy: -0.089
local terms energy: -23.381120
where:
bonds (distance) C4'-P energy: -6.254
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -3.365
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -43.527077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.527077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.527077 (E_RNA)
where:
Base-Base interactions energy: -19.243
where: short stacking energy: -19.243
Base-Backbone interact. energy: -0.001
local terms energy: -24.282287
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -5.273
flat angles C4'-P-C4' energy: -3.822
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -33.202661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.202661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.202661 (E_RNA)
where:
Base-Base interactions energy: -11.904
where: short stacking energy: -11.904
Base-Backbone interact. energy: -0.001
local terms energy: -21.297787
where:
bonds (distance) C4'-P energy: -4.185
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -4.482
flat angles P-C4'-P energy: -2.029
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -40.592152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.592152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.592152 (E_RNA)
where:
Base-Base interactions energy: -18.313
where: short stacking energy: -18.283
Base-Backbone interact. energy: -0.000
local terms energy: -22.279053
where:
bonds (distance) C4'-P energy: -5.145
bonds (distance) P-C4' energy: -5.861
flat angles C4'-P-C4' energy: -5.469
flat angles P-C4'-P energy: -3.894
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -39.500819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.500819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.500819 (E_RNA)
where:
Base-Base interactions energy: -21.958
where: short stacking energy: -16.012
Base-Backbone interact. energy: -0.022
local terms energy: -17.520938
where:
bonds (distance) C4'-P energy: -3.150
bonds (distance) P-C4' energy: -3.706
flat angles C4'-P-C4' energy: -4.897
flat angles P-C4'-P energy: -3.603
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: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -37.086619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.086619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.086619 (E_RNA)
where:
Base-Base interactions energy: -14.384
where: short stacking energy: -14.384
Base-Backbone interact. energy: -0.000
local terms energy: -22.701949
where:
bonds (distance) C4'-P energy: -4.367
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -5.391
flat angles P-C4'-P energy: -2.357
tors. eta vs tors. theta energy: -4.372
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: 9, replica: 5
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -34.916078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.916078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.916078 (E_RNA)
where:
Base-Base interactions energy: -11.934
where: short stacking energy: -11.934
Base-Backbone interact. energy: -0.001
local terms energy: -22.981435
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -6.385
flat angles C4'-P-C4' energy: -5.127
flat angles P-C4'-P energy: -2.761
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -36.103948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.103948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.103948 (E_RNA)
where:
Base-Base interactions energy: -15.941
where: short stacking energy: -15.941
Base-Backbone interact. energy: -0.001
local terms energy: -20.162020
where:
bonds (distance) C4'-P energy: -1.204
bonds (distance) P-C4' energy: -3.613
flat angles C4'-P-C4' energy: -5.922
flat angles P-C4'-P energy: -3.664
tors. eta vs tors. theta energy: -5.759
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)
out arg RESULTS//1/M33-bbe0e822_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -59.541725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.541725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.541725 (E_RNA)
where:
Base-Base interactions energy: -37.558
where: short stacking energy: -14.530
Base-Backbone interact. energy: -0.018
local terms energy: -21.965771
where:
bonds (distance) C4'-P energy: -4.802
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -6.157
flat angles P-C4'-P energy: -3.707
tors. eta vs tors. theta energy: -0.886
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: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -54.222332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.222332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.222332 (E_RNA)
where:
Base-Base interactions energy: -26.784
where: short stacking energy: -14.259
Base-Backbone interact. energy: -0.884
local terms energy: -26.554894
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -5.872
flat angles P-C4'-P energy: -3.394
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: 3, replica: 6
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -45.245909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.245909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.245909 (E_RNA)
where:
Base-Base interactions energy: -22.864
where: short stacking energy: -13.023
Base-Backbone interact. energy: -0.644
local terms energy: -21.738127
where:
bonds (distance) C4'-P energy: -5.109
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.837
flat angles P-C4'-P energy: -3.536
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: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -50.956159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.956159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.956159 (E_RNA)
where:
Base-Base interactions energy: -30.104
where: short stacking energy: -13.934
Base-Backbone interact. energy: 0.468
local terms energy: -21.319903
where:
bonds (distance) C4'-P energy: -5.278
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.533
flat angles P-C4'-P energy: -3.203
tors. eta vs tors. theta energy: -0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -39.823824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.823824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.823824 (E_RNA)
where:
Base-Base interactions energy: -17.207
where: short stacking energy: -13.973
Base-Backbone interact. energy: -0.000
local terms energy: -22.616831
where:
bonds (distance) C4'-P energy: -6.031
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -5.245
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -37.254912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.254912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.254912 (E_RNA)
where:
Base-Base interactions energy: -13.050
where: short stacking energy: -13.050
Base-Backbone interact. energy: -0.247
local terms energy: -23.958025
where:
bonds (distance) C4'-P energy: -6.462
bonds (distance) P-C4' energy: -5.047
flat angles C4'-P-C4' energy: -5.677
flat angles P-C4'-P energy: -3.385
tors. eta vs tors. theta energy: -3.387
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: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -34.582943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.582943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.582943 (E_RNA)
where:
Base-Base interactions energy: -11.095
where: short stacking energy: -11.095
Base-Backbone interact. energy: -0.000
local terms energy: -23.487790
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -4.857
flat angles C4'-P-C4' energy: -5.811
flat angles P-C4'-P energy: -4.328
tors. eta vs tors. theta energy: -3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -40.214707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.214707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.214707 (E_RNA)
where:
Base-Base interactions energy: -13.406
where: short stacking energy: -13.406
Base-Backbone interact. energy: -0.568
local terms energy: -26.240411
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -4.948
flat angles P-C4'-P energy: -3.545
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: 9, replica: 3
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -30.269933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.269933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.269933 (E_RNA)
where:
Base-Base interactions energy: -8.930
where: short stacking energy: -8.930
Base-Backbone interact. energy: -0.003
local terms energy: -21.337022
where:
bonds (distance) C4'-P energy: -5.357
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -4.618
flat angles P-C4'-P energy: -4.107
tors. eta vs tors. theta energy: -0.798
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: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -31.877377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.877377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.877377 (E_RNA)
where:
Base-Base interactions energy: -9.618
where: short stacking energy: -5.843
Base-Backbone interact. energy: -0.030
local terms energy: -22.229270
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -5.077
flat angles P-C4'-P energy: -3.277
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -60.741383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.741383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.741383 (E_RNA)
where:
Base-Base interactions energy: -39.012
where: short stacking energy: -12.634
Base-Backbone interact. energy: -0.093
local terms energy: -21.636603
where:
bonds (distance) C4'-P energy: -4.214
bonds (distance) P-C4' energy: -4.917
flat angles C4'-P-C4' energy: -5.447
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -51.053397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.053397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.053397 (E_RNA)
where:
Base-Base interactions energy: -21.192
where: short stacking energy: -21.192
Base-Backbone interact. energy: -0.000
local terms energy: -29.861552
where:
bonds (distance) C4'-P energy: -6.160
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.869
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: -7.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -46.537494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.537494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.537494 (E_RNA)
where:
Base-Base interactions energy: -27.300
where: short stacking energy: -17.462
Base-Backbone interact. energy: -0.003
local terms energy: -19.234958
where:
bonds (distance) C4'-P energy: -4.107
bonds (distance) P-C4' energy: -5.960
flat angles C4'-P-C4' energy: -4.832
flat angles P-C4'-P energy: -0.761
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -39.374672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.374672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.374672 (E_RNA)
where:
Base-Base interactions energy: -19.983
where: short stacking energy: -7.203
Base-Backbone interact. energy: -0.013
local terms energy: -19.378581
where:
bonds (distance) C4'-P energy: -4.657
bonds (distance) P-C4' energy: -6.196
flat angles C4'-P-C4' energy: -4.799
flat angles P-C4'-P energy: -3.549
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: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -34.241355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.241355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.241355 (E_RNA)
where:
Base-Base interactions energy: -11.706
where: short stacking energy: -11.706
Base-Backbone interact. energy: -0.098
local terms energy: -22.436817
where:
bonds (distance) C4'-P energy: -5.207
bonds (distance) P-C4' energy: -5.371
flat angles C4'-P-C4' energy: -4.730
flat angles P-C4'-P energy: -4.015
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -43.435730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.435730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.435730 (E_RNA)
where:
Base-Base interactions energy: -18.810
where: short stacking energy: -18.810
Base-Backbone interact. energy: -0.000
local terms energy: -24.626049
where:
bonds (distance) C4'-P energy: -3.986
bonds (distance) P-C4' energy: -5.530
flat angles C4'-P-C4' energy: -6.170
flat angles P-C4'-P energy: -3.190
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -33.234960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.234960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.234960 (E_RNA)
where:
Base-Base interactions energy: -14.112
where: short stacking energy: -14.112
Base-Backbone interact. energy: -0.030
local terms energy: -19.093210
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -4.417
flat angles C4'-P-C4' energy: -5.612
flat angles P-C4'-P energy: -2.900
tors. eta vs tors. theta energy: -0.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -36.854703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.854703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.854703 (E_RNA)
where:
Base-Base interactions energy: -10.413
where: short stacking energy: -10.413
Base-Backbone interact. energy: -0.051
local terms energy: -26.390536
where:
bonds (distance) C4'-P energy: -6.160
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -5.867
flat angles P-C4'-P energy: -2.863
tors. eta vs tors. theta energy: -4.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -35.248791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.248791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.248791 (E_RNA)
where:
Base-Base interactions energy: -16.091
where: short stacking energy: -16.091
Base-Backbone interact. energy: -0.003
local terms energy: -19.154989
where:
bonds (distance) C4'-P energy: -3.957
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.146
flat angles P-C4'-P energy: -0.953
tors. eta vs tors. theta energy: -3.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -37.520374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.520374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.520374 (E_RNA)
where:
Base-Base interactions energy: -13.019
where: short stacking energy: -13.019
Base-Backbone interact. energy: -0.001
local terms energy: -24.500528
where:
bonds (distance) C4'-P energy: -4.764
bonds (distance) P-C4' energy: -6.367
flat angles C4'-P-C4' energy: -5.596
flat angles P-C4'-P energy: -4.209
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 6
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -54.074766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.074766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.074766 (E_RNA)
where:
Base-Base interactions energy: -26.381
where: short stacking energy: -26.381
Base-Backbone interact. energy: -0.000
local terms energy: -27.693487
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -5.916
flat angles C4'-P-C4' energy: -6.260
flat angles P-C4'-P energy: -2.248
tors. eta vs tors. theta energy: -7.735
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: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -42.500282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.500282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.500282 (E_RNA)
where:
Base-Base interactions energy: -17.807
where: short stacking energy: -17.807
Base-Backbone interact. energy: -0.015
local terms energy: -24.678408
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -5.042
flat angles P-C4'-P energy: -3.567
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -45.813368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.813368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.813368 (E_RNA)
where:
Base-Base interactions energy: -25.394
where: short stacking energy: -8.622
Base-Backbone interact. energy: -0.351
local terms energy: -20.067867
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -5.883
flat angles P-C4'-P energy: -2.506
tors. eta vs tors. theta energy: 0.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -44.025859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.025859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.025859 (E_RNA)
where:
Base-Base interactions energy: -19.069
where: short stacking energy: -19.069
Base-Backbone interact. energy: -0.000
local terms energy: -24.957266
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -5.868
flat angles C4'-P-C4' energy: -5.540
flat angles P-C4'-P energy: -3.465
tors. eta vs tors. theta energy: -5.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -42.098699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.098699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.098699 (E_RNA)
where:
Base-Base interactions energy: -20.319
where: short stacking energy: -9.653
Base-Backbone interact. energy: -0.006
local terms energy: -21.773890
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -5.937
flat angles P-C4'-P energy: -3.006
tors. eta vs tors. theta energy: -0.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -41.024684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.024684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.024684 (E_RNA)
where:
Base-Base interactions energy: -16.398
where: short stacking energy: -16.398
Base-Backbone interact. energy: -0.001
local terms energy: -24.625960
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -5.773
flat angles C4'-P-C4' energy: -4.727
flat angles P-C4'-P energy: -4.214
tors. eta vs tors. theta energy: -4.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -34.181236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.181236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.181236 (E_RNA)
where:
Base-Base interactions energy: -12.702
where: short stacking energy: -12.702
Base-Backbone interact. energy: -0.002
local terms energy: -21.476937
where:
bonds (distance) C4'-P energy: -4.322
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.486
flat angles P-C4'-P energy: -3.237
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: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -37.915693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.915693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.915693 (E_RNA)
where:
Base-Base interactions energy: -15.955
where: short stacking energy: -15.955
Base-Backbone interact. energy: -0.004
local terms energy: -21.956767
where:
bonds (distance) C4'-P energy: -2.731
bonds (distance) P-C4' energy: -4.656
flat angles C4'-P-C4' energy: -5.377
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -33.041832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.041832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.041832 (E_RNA)
where:
Base-Base interactions energy: -13.990
where: short stacking energy: -13.990
Base-Backbone interact. energy: -0.007
local terms energy: -19.044344
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -4.153
flat angles C4'-P-C4' energy: -4.490
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: 0.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -33.263727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.263727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.263727 (E_RNA)
where:
Base-Base interactions energy: -12.144
where: short stacking energy: -12.144
Base-Backbone interact. energy: -0.001
local terms energy: -21.118473
where:
bonds (distance) C4'-P energy: -3.738
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -3.890
flat angles P-C4'-P energy: -3.452
tors. eta vs tors. theta energy: -3.135
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 6
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -47.121744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.121744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.121744 (E_RNA)
where:
Base-Base interactions energy: -19.759
where: short stacking energy: -19.759
Base-Backbone interact. energy: -0.040
local terms energy: -27.322750
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -6.010
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -48.925406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.925406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.925406 (E_RNA)
where:
Base-Base interactions energy: -22.370
where: short stacking energy: -22.370
Base-Backbone interact. energy: -0.000
local terms energy: -26.555882
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.409
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: -6.046
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: 9
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -47.699878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.699878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.699878 (E_RNA)
where:
Base-Base interactions energy: -20.950
where: short stacking energy: -20.950
Base-Backbone interact. energy: -0.000
local terms energy: -26.750086
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -6.048
flat angles P-C4'-P energy: -1.264
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: 4, replica: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -42.129654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.129654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.129654 (E_RNA)
where:
Base-Base interactions energy: -17.868
where: short stacking energy: -17.868
Base-Backbone interact. energy: -0.014
local terms energy: -24.247701
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -5.095
flat angles P-C4'-P energy: -4.946
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: 5, replica: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -32.271931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.271931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.271931 (E_RNA)
where:
Base-Base interactions energy: -13.544
where: short stacking energy: -14.644
Base-Backbone interact. energy: -0.020
local terms energy: -18.708423
where:
bonds (distance) C4'-P energy: -4.639
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -4.880
flat angles P-C4'-P energy: -2.695
tors. eta vs tors. theta energy: 0.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -40.897337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.897337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.897337 (E_RNA)
where:
Base-Base interactions energy: -18.578
where: short stacking energy: -18.578
Base-Backbone interact. energy: 1.164
local terms energy: -23.484142
where:
bonds (distance) C4'-P energy: -6.462
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -5.211
flat angles P-C4'-P energy: -2.527
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: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -40.242373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.242373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.242373 (E_RNA)
where:
Base-Base interactions energy: -15.994
where: short stacking energy: -15.994
Base-Backbone interact. energy: -0.000
local terms energy: -24.248743
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -5.146
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -32.709325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.709325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.709325 (E_RNA)
where:
Base-Base interactions energy: -11.807
where: short stacking energy: -11.807
Base-Backbone interact. energy: -0.002
local terms energy: -20.900294
where:
bonds (distance) C4'-P energy: -3.820
bonds (distance) P-C4' energy: -2.612
flat angles C4'-P-C4' energy: -6.013
flat angles P-C4'-P energy: -3.472
tors. eta vs tors. theta energy: -4.982
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: 9, replica: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -37.156781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.156781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.156781 (E_RNA)
where:
Base-Base interactions energy: -10.354
where: short stacking energy: -10.354
Base-Backbone interact. energy: -0.009
local terms energy: -26.794040
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -5.589
flat angles P-C4'-P energy: -3.481
tors. eta vs tors. theta energy: -5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -28.382822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.382822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.382822 (E_RNA)
where:
Base-Base interactions energy: -7.116
where: short stacking energy: -7.116
Base-Backbone interact. energy: -0.012
local terms energy: -21.254874
where:
bonds (distance) C4'-P energy: -5.484
bonds (distance) P-C4' energy: -5.082
flat angles C4'-P-C4' energy: -5.960
flat angles P-C4'-P energy: -3.125
tors. eta vs tors. theta energy: -1.604
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 1
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -49.908937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.908937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.908937 (E_RNA)
where:
Base-Base interactions energy: -21.429
where: short stacking energy: -21.429
Base-Backbone interact. energy: -0.000
local terms energy: -28.479885
where:
bonds (distance) C4'-P energy: -5.179
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -6.083
flat angles P-C4'-P energy: -4.249
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -47.053719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.053719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.053719 (E_RNA)
where:
Base-Base interactions energy: -20.385
where: short stacking energy: -20.385
Base-Backbone interact. energy: -0.000
local terms energy: -26.668728
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.000
flat angles P-C4'-P energy: -3.599
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -46.811069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.811069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.811069 (E_RNA)
where:
Base-Base interactions energy: -20.496
where: short stacking energy: -20.496
Base-Backbone interact. energy: -0.000
local terms energy: -26.314692
where:
bonds (distance) C4'-P energy: -5.033
bonds (distance) P-C4' energy: -5.181
flat angles C4'-P-C4' energy: -5.916
flat angles P-C4'-P energy: -5.156
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: 4, replica: 9
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -49.445912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.445912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.445912 (E_RNA)
where:
Base-Base interactions energy: -22.378
where: short stacking energy: -22.378
Base-Backbone interact. energy: -0.000
local terms energy: -27.068384
where:
bonds (distance) C4'-P energy: -3.742
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -6.237
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -35.427188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.427188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.427188 (E_RNA)
where:
Base-Base interactions energy: -13.251
where: short stacking energy: -13.251
Base-Backbone interact. energy: -0.001
local terms energy: -22.175153
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -4.681
flat angles C4'-P-C4' energy: -4.965
flat angles P-C4'-P energy: -3.693
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: 6, replica: 2
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -40.265920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.265920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.265920 (E_RNA)
where:
Base-Base interactions energy: -16.629
where: short stacking energy: -16.629
Base-Backbone interact. energy: -0.026
local terms energy: -23.610540
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -7.147
flat angles C4'-P-C4' energy: -5.977
flat angles P-C4'-P energy: -4.248
tors. eta vs tors. theta energy: -1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -40.292639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.292639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.292639 (E_RNA)
where:
Base-Base interactions energy: -16.659
where: short stacking energy: -16.659
Base-Backbone interact. energy: -0.000
local terms energy: -23.633987
where:
bonds (distance) C4'-P energy: -4.214
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.343
flat angles P-C4'-P energy: -2.563
tors. eta vs tors. theta energy: -5.079
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: 480
Temperature: 1.250000
Total energy: -34.319753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.319753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.319753 (E_RNA)
where:
Base-Base interactions energy: -12.243
where: short stacking energy: -12.243
Base-Backbone interact. energy: -0.001
local terms energy: -22.076199
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -3.477
flat angles C4'-P-C4' energy: -5.668
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -2.885
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: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -34.167381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.167381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.167381 (E_RNA)
where:
Base-Base interactions energy: -12.521
where: short stacking energy: -12.381
Base-Backbone interact. energy: -0.100
local terms energy: -21.546287
where:
bonds (distance) C4'-P energy: -4.107
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -6.419
flat angles P-C4'-P energy: -3.291
tors. eta vs tors. theta energy: -1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -29.935655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.935655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.935655 (E_RNA)
where:
Base-Base interactions energy: -15.519
where: short stacking energy: -10.102
Base-Backbone interact. energy: 0.948
local terms energy: -15.365089
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -4.395
flat angles C4'-P-C4' energy: -4.490
flat angles P-C4'-P energy: -0.991
tors. eta vs tors. theta energy: 0.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 1
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -50.603035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.603035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.603035 (E_RNA)
where:
Base-Base interactions energy: -29.234
where: short stacking energy: -15.534
Base-Backbone interact. energy: -0.099
local terms energy: -21.270204
where:
bonds (distance) C4'-P energy: -5.481
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -3.017
flat angles P-C4'-P energy: -3.154
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -50.419616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.419616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.419616 (E_RNA)
where:
Base-Base interactions energy: -30.789
where: short stacking energy: -15.714
Base-Backbone interact. energy: 0.174
local terms energy: -19.805102
where:
bonds (distance) C4'-P energy: -3.666
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.264
flat angles P-C4'-P energy: -2.607
tors. eta vs tors. theta energy: -1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -43.956523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.956523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.956523 (E_RNA)
where:
Base-Base interactions energy: -16.424
where: short stacking energy: -16.424
Base-Backbone interact. energy: -0.043
local terms energy: -27.489093
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.499
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -39.611021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.611021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.611021 (E_RNA)
where:
Base-Base interactions energy: -13.405
where: short stacking energy: -13.405
Base-Backbone interact. energy: -0.002
local terms energy: -26.203962
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -6.239
flat angles P-C4'-P energy: -4.416
tors. eta vs tors. theta energy: -2.999
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: 9
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -37.871602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.871602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.871602 (E_RNA)
where:
Base-Base interactions energy: -11.440
where: short stacking energy: -11.440
Base-Backbone interact. energy: -0.005
local terms energy: -26.426969
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -6.335
flat angles P-C4'-P energy: -4.004
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: 6, replica: 10
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -35.189915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.189915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.189915 (E_RNA)
where:
Base-Base interactions energy: -14.683
where: short stacking energy: -12.610
Base-Backbone interact. energy: -0.001
local terms energy: -20.505962
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -4.667
flat angles P-C4'-P energy: -3.385
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -37.217848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.217848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.217848 (E_RNA)
where:
Base-Base interactions energy: -11.864
where: short stacking energy: -11.864
Base-Backbone interact. energy: -0.334
local terms energy: -25.019664
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -6.301
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -31.763315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.763315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.763315 (E_RNA)
where:
Base-Base interactions energy: -8.272
where: short stacking energy: -8.272
Base-Backbone interact. energy: -0.053
local terms energy: -23.438068
where:
bonds (distance) C4'-P energy: -5.096
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.899
flat angles P-C4'-P energy: -3.927
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -44.077820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.077820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.077820 (E_RNA)
where:
Base-Base interactions energy: -19.365
where: short stacking energy: -19.365
Base-Backbone interact. energy: -0.000
local terms energy: -24.713179
where:
bonds (distance) C4'-P energy: -6.052
bonds (distance) P-C4' energy: -4.653
flat angles C4'-P-C4' energy: -4.401
flat angles P-C4'-P energy: -3.875
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: 10, replica: 7
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -32.539440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.539440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.539440 (E_RNA)
where:
Base-Base interactions energy: -13.116
where: short stacking energy: -13.116
Base-Backbone interact. energy: -0.156
local terms energy: -19.268037
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -3.950
flat angles P-C4'-P energy: -2.706
tors. eta vs tors. theta energy: 0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 8
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -45.268567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.268567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.268567 (E_RNA)
where:
Base-Base interactions energy: -21.043
where: short stacking energy: -21.043
Base-Backbone interact. energy: -0.000
local terms energy: -24.225472
where:
bonds (distance) C4'-P energy: -5.828
bonds (distance) P-C4' energy: -6.129
flat angles C4'-P-C4' energy: -2.363
flat angles P-C4'-P energy: -4.362
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -47.889170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.889170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.889170 (E_RNA)
where:
Base-Base interactions energy: -31.511
where: short stacking energy: -14.356
Base-Backbone interact. energy: -0.002
local terms energy: -16.375501
where:
bonds (distance) C4'-P energy: -5.422
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -3.419
flat angles P-C4'-P energy: 1.925
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -55.552564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.552564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.552564 (E_RNA)
where:
Base-Base interactions energy: -29.163
where: short stacking energy: -20.293
Base-Backbone interact. energy: -0.159
local terms energy: -26.230334
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -5.674
flat angles C4'-P-C4' energy: -5.287
flat angles P-C4'-P energy: -4.198
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -40.113740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.113740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.113740 (E_RNA)
where:
Base-Base interactions energy: -17.659
where: short stacking energy: -12.549
Base-Backbone interact. energy: -1.552
local terms energy: -20.902806
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -3.895
flat angles P-C4'-P energy: -2.355
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: 5, replica: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -39.926619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.926619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.926619 (E_RNA)
where:
Base-Base interactions energy: -16.366
where: short stacking energy: -16.366
Base-Backbone interact. energy: -0.041
local terms energy: -23.519567
where:
bonds (distance) C4'-P energy: -3.430
bonds (distance) P-C4' energy: -5.763
flat angles C4'-P-C4' energy: -5.212
flat angles P-C4'-P energy: -5.155
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: 6, replica: 10
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -38.318759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.318759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.318759 (E_RNA)
where:
Base-Base interactions energy: -17.147
where: short stacking energy: -17.147
Base-Backbone interact. energy: -0.006
local terms energy: -21.165328
where:
bonds (distance) C4'-P energy: -4.222
bonds (distance) P-C4' energy: -4.290
flat angles C4'-P-C4' energy: -5.831
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -32.124862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.124862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.124862 (E_RNA)
where:
Base-Base interactions energy: -11.197
where: short stacking energy: -11.197
Base-Backbone interact. energy: -0.003
local terms energy: -20.924795
where:
bonds (distance) C4'-P energy: -5.025
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -3.411
flat angles P-C4'-P energy: -2.359
tors. eta vs tors. theta energy: -3.486
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: 2
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -36.896478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.896478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.896478 (E_RNA)
where:
Base-Base interactions energy: -17.082
where: short stacking energy: -17.082
Base-Backbone interact. energy: 0.389
local terms energy: -20.203156
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -3.033
flat angles P-C4'-P energy: -1.466
tors. eta vs tors. theta energy: -3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -31.469641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.469641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.469641 (E_RNA)
where:
Base-Base interactions energy: -10.531
where: short stacking energy: -10.531
Base-Backbone interact. energy: -0.134
local terms energy: -20.804462
where:
bonds (distance) C4'-P energy: -5.526
bonds (distance) P-C4' energy: -6.149
flat angles C4'-P-C4' energy: -5.464
flat angles P-C4'-P energy: -3.858
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: 5
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -34.595692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.595692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.595692 (E_RNA)
where:
Base-Base interactions energy: -12.468
where: short stacking energy: -9.366
Base-Backbone interact. energy: -0.069
local terms energy: -22.059601
where:
bonds (distance) C4'-P energy: -5.278
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -4.381
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -1.130
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -54.118949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.118949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.118949 (E_RNA)
where:
Base-Base interactions energy: -25.215
where: short stacking energy: -25.215
Base-Backbone interact. energy: -0.000
local terms energy: -28.903820
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -6.206
flat angles C4'-P-C4' energy: -5.661
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -6.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -44.015871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.015871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.015871 (E_RNA)
where:
Base-Base interactions energy: -19.273
where: short stacking energy: -19.273
Base-Backbone interact. energy: -0.010
local terms energy: -24.732939
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -5.101
flat angles C4'-P-C4' energy: -6.490
flat angles P-C4'-P energy: -3.177
tors. eta vs tors. theta energy: -4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -40.909132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.909132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.909132 (E_RNA)
where:
Base-Base interactions energy: -16.210
where: short stacking energy: -16.210
Base-Backbone interact. energy: -0.000
local terms energy: -24.699339
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -3.753
flat angles P-C4'-P energy: -3.836
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -39.212600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.212600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.212600 (E_RNA)
where:
Base-Base interactions energy: -18.906
where: short stacking energy: -18.906
Base-Backbone interact. energy: -0.008
local terms energy: -20.298488
where:
bonds (distance) C4'-P energy: -3.779
bonds (distance) P-C4' energy: -5.767
flat angles C4'-P-C4' energy: -5.133
flat angles P-C4'-P energy: -3.958
tors. eta vs tors. theta energy: -1.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -34.452616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.452616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.452616 (E_RNA)
where:
Base-Base interactions energy: -13.876
where: short stacking energy: -13.876
Base-Backbone interact. energy: -0.005
local terms energy: -20.571604
where:
bonds (distance) C4'-P energy: -5.071
bonds (distance) P-C4' energy: -5.892
flat angles C4'-P-C4' energy: -5.086
flat angles P-C4'-P energy: -3.834
tors. eta vs tors. theta energy: -0.688
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: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -37.929420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.929420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.929420 (E_RNA)
where:
Base-Base interactions energy: -14.822
where: short stacking energy: -14.822
Base-Backbone interact. energy: -0.000
local terms energy: -23.107162
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -5.992
flat angles P-C4'-P energy: 0.462
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: 7, replica: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -35.732218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.732218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.732218 (E_RNA)
where:
Base-Base interactions energy: -18.574
where: short stacking energy: -18.574
Base-Backbone interact. energy: -0.000
local terms energy: -17.158178
where:
bonds (distance) C4'-P energy: -3.228
bonds (distance) P-C4' energy: -4.278
flat angles C4'-P-C4' energy: -3.148
flat angles P-C4'-P energy: -2.681
tors. eta vs tors. theta energy: -3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -36.534648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.534648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.534648 (E_RNA)
where:
Base-Base interactions energy: -15.628
where: short stacking energy: -15.628
Base-Backbone interact. energy: -0.000
local terms energy: -20.906479
where:
bonds (distance) C4'-P energy: -5.241
bonds (distance) P-C4' energy: -3.159
flat angles C4'-P-C4' energy: -4.726
flat angles P-C4'-P energy: -2.100
tors. eta vs tors. theta energy: -5.680
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: 2
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -34.519209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.519209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.519209 (E_RNA)
where:
Base-Base interactions energy: -16.050
where: short stacking energy: -16.050
Base-Backbone interact. energy: -0.005
local terms energy: -18.464847
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -1.483
flat angles C4'-P-C4' energy: -6.215
flat angles P-C4'-P energy: -3.430
tors. eta vs tors. theta energy: -1.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -31.614937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.614937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.614937 (E_RNA)
where:
Base-Base interactions energy: -11.271
where: short stacking energy: -11.271
Base-Backbone interact. energy: -0.000
local terms energy: -20.344335
where:
bonds (distance) C4'-P energy: -5.225
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -4.878
flat angles P-C4'-P energy: -2.051
tors. eta vs tors. theta energy: -1.734
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)
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: 484
Temperature: 0.900000
Total energy: -49.635330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.635330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.635330 (E_RNA)
where:
Base-Base interactions energy: -21.742
where: short stacking energy: -21.742
Base-Backbone interact. energy: -0.002
local terms energy: -27.891527
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -5.786
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -4.676
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: 484
Temperature: 0.950000
Total energy: -43.866414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.866414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.866414 (E_RNA)
where:
Base-Base interactions energy: -19.845
where: short stacking energy: -19.845
Base-Backbone interact. energy: -0.000
local terms energy: -24.021391
where:
bonds (distance) C4'-P energy: -6.060
bonds (distance) P-C4' energy: -5.273
flat angles C4'-P-C4' energy: -3.794
flat angles P-C4'-P energy: -4.690
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: 3, replica: 9
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -43.321171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.321171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.321171 (E_RNA)
where:
Base-Base interactions energy: -21.132
where: short stacking energy: -21.132
Base-Backbone interact. energy: -0.003
local terms energy: -22.185922
where:
bonds (distance) C4'-P energy: -5.376
bonds (distance) P-C4' energy: -3.760
flat angles C4'-P-C4' energy: -5.977
flat angles P-C4'-P energy: -3.843
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: 4, replica: 1
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -38.558712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.558712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.558712 (E_RNA)
where:
Base-Base interactions energy: -14.239
where: short stacking energy: -14.239
Base-Backbone interact. energy: -0.069
local terms energy: -24.250058
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -5.566
flat angles P-C4'-P energy: -2.600
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -39.900439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.900439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.900439 (E_RNA)
where:
Base-Base interactions energy: -21.398
where: short stacking energy: -10.404
Base-Backbone interact. energy: -0.078
local terms energy: -18.423775
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -3.824
flat angles C4'-P-C4' energy: -5.956
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: 1.521
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: 4
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -36.658542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.658542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.658542 (E_RNA)
where:
Base-Base interactions energy: -14.506
where: short stacking energy: -14.506
Base-Backbone interact. energy: -0.099
local terms energy: -22.053488
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -4.423
flat angles C4'-P-C4' energy: -6.490
flat angles P-C4'-P energy: -1.998
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -39.559000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.559000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.559000 (E_RNA)
where:
Base-Base interactions energy: -15.262
where: short stacking energy: -15.262
Base-Backbone interact. energy: -0.000
local terms energy: -24.297415
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -6.170
flat angles P-C4'-P energy: -0.273
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -42.014893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.014893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.014893 (E_RNA)
where:
Base-Base interactions energy: -27.375
where: short stacking energy: -7.792
Base-Backbone interact. energy: -0.007
local terms energy: -14.632597
where:
bonds (distance) C4'-P energy: -3.369
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -1.354
flat angles P-C4'-P energy: -1.531
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: 5
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -36.003778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.003778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.003778 (E_RNA)
where:
Base-Base interactions energy: -15.546
where: short stacking energy: -11.138
Base-Backbone interact. energy: -0.097
local terms energy: -20.360896
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -4.865
flat angles C4'-P-C4' energy: -5.192
flat angles P-C4'-P energy: -4.397
tors. eta vs tors. theta energy: 0.029
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: 2
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -29.553244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.553244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.553244 (E_RNA)
where:
Base-Base interactions energy: -12.065
where: short stacking energy: -12.065
Base-Backbone interact. energy: 0.505
local terms energy: -17.993606
where:
bonds (distance) C4'-P energy: -2.960
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -3.486
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: -0.894
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)
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: 485
Temperature: 0.900000
Total energy: -47.691090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.691090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.691090 (E_RNA)
where:
Base-Base interactions energy: -21.633
where: short stacking energy: -8.188
Base-Backbone interact. energy: -0.442
local terms energy: -25.616023
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.604
flat angles P-C4'-P energy: -4.460
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -44.177337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.177337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.177337 (E_RNA)
where:
Base-Base interactions energy: -27.142
where: short stacking energy: -14.095
Base-Backbone interact. energy: -0.007
local terms energy: -17.029223
where:
bonds (distance) C4'-P energy: -4.768
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -0.389
flat angles P-C4'-P energy: -2.553
tors. eta vs tors. theta energy: -3.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -44.426464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.426464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.426464 (E_RNA)
where:
Base-Base interactions energy: -16.738
where: short stacking energy: -16.738
Base-Backbone interact. energy: -0.000
local terms energy: -27.688268
where:
bonds (distance) C4'-P energy: -5.535
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -5.427
flat angles P-C4'-P energy: -4.253
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: 4, replica: 6
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -48.504299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.504299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.504299 (E_RNA)
where:
Base-Base interactions energy: -23.181
where: short stacking energy: -17.817
Base-Backbone interact. energy: -0.009
local terms energy: -25.314205
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -5.677
flat angles C4'-P-C4' energy: -5.495
flat angles P-C4'-P energy: -3.704
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: 5, replica: 1
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -43.081635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.081635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.081635 (E_RNA)
where:
Base-Base interactions energy: -18.479
where: short stacking energy: -18.479
Base-Backbone interact. energy: -0.000
local terms energy: -24.602990
where:
bonds (distance) C4'-P energy: -4.740
bonds (distance) P-C4' energy: -5.705
flat angles C4'-P-C4' energy: -5.671
flat angles P-C4'-P energy: -4.157
tors. eta vs tors. theta energy: -4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -34.454391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.454391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.454391 (E_RNA)
where:
Base-Base interactions energy: -12.356
where: short stacking energy: -6.056
Base-Backbone interact. energy: -0.000
local terms energy: -22.098577
where:
bonds (distance) C4'-P energy: -4.479
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.339
flat angles P-C4'-P energy: -3.475
tors. eta vs tors. theta energy: -2.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -36.684723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.684723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.684723 (E_RNA)
where:
Base-Base interactions energy: -14.416
where: short stacking energy: -14.416
Base-Backbone interact. energy: -0.040
local terms energy: -22.229053
where:
bonds (distance) C4'-P energy: -5.055
bonds (distance) P-C4' energy: -4.920
flat angles C4'-P-C4' energy: -4.683
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: -2.890
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: 8, replica: 5
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -34.394426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.394426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.394426 (E_RNA)
where:
Base-Base interactions energy: -16.583
where: short stacking energy: -13.229
Base-Backbone interact. energy: -0.071
local terms energy: -17.740157
where:
bonds (distance) C4'-P energy: -4.570
bonds (distance) P-C4' energy: -3.377
flat angles C4'-P-C4' energy: -3.926
flat angles P-C4'-P energy: -2.800
tors. eta vs tors. theta energy: -3.068
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: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -35.511903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.511903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.511903 (E_RNA)
where:
Base-Base interactions energy: -13.753
where: short stacking energy: -12.809
Base-Backbone interact. energy: -0.064
local terms energy: -21.694994
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -5.627
flat angles P-C4'-P energy: -3.247
tors. eta vs tors. theta energy: -0.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -33.568192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.568192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.568192 (E_RNA)
where:
Base-Base interactions energy: -13.255
where: short stacking energy: -13.255
Base-Backbone interact. energy: -0.043
local terms energy: -20.270133
where:
bonds (distance) C4'-P energy: -6.006
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -2.910
flat angles P-C4'-P energy: -1.166
tors. eta vs tors. theta energy: -3.517
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -44.409246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.409246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.409246 (E_RNA)
where:
Base-Base interactions energy: -20.204
where: short stacking energy: -20.204
Base-Backbone interact. energy: -0.000
local terms energy: -24.205298
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -5.258
flat angles C4'-P-C4' energy: -5.638
flat angles P-C4'-P energy: -4.262
tors. eta vs tors. theta energy: -4.267
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: 2, replica: 3
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -51.880745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.880745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.880745 (E_RNA)
where:
Base-Base interactions energy: -27.213
where: short stacking energy: -21.068
Base-Backbone interact. energy: -0.003
local terms energy: -24.664513
where:
bonds (distance) C4'-P energy: -5.287
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -3.308
flat angles P-C4'-P energy: -4.944
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: 3, replica: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -49.376576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.376576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.376576 (E_RNA)
where:
Base-Base interactions energy: -23.401
where: short stacking energy: -23.401
Base-Backbone interact. energy: -0.000
local terms energy: -25.975890
where:
bonds (distance) C4'-P energy: -3.725
bonds (distance) P-C4' energy: -6.189
flat angles C4'-P-C4' energy: -6.171
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -44.436988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.436988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.436988 (E_RNA)
where:
Base-Base interactions energy: -21.486
where: short stacking energy: -21.486
Base-Backbone interact. energy: -0.002
local terms energy: -22.949391
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -5.737
flat angles C4'-P-C4' energy: -4.689
flat angles P-C4'-P energy: -0.528
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: 5, replica: 7
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -36.683532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.683532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.683532 (E_RNA)
where:
Base-Base interactions energy: -14.372
where: short stacking energy: -14.372
Base-Backbone interact. energy: -0.003
local terms energy: -22.308548
where:
bonds (distance) C4'-P energy: -3.912
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -4.171
flat angles P-C4'-P energy: -5.201
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -46.152798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.152798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.152798 (E_RNA)
where:
Base-Base interactions energy: -20.023
where: short stacking energy: -20.023
Base-Backbone interact. energy: -0.000
local terms energy: -26.130022
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.705
flat angles C4'-P-C4' energy: -5.216
flat angles P-C4'-P energy: -2.951
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -37.863492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.863492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.863492 (E_RNA)
where:
Base-Base interactions energy: -15.872
where: short stacking energy: -15.872
Base-Backbone interact. energy: -0.000
local terms energy: -21.991459
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -2.741
flat angles P-C4'-P energy: -1.867
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: 8, replica: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -33.022094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.022094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.022094 (E_RNA)
where:
Base-Base interactions energy: -11.419
where: short stacking energy: -11.419
Base-Backbone interact. energy: -0.044
local terms energy: -21.558749
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -6.389
flat angles C4'-P-C4' energy: -6.474
flat angles P-C4'-P energy: -3.131
tors. eta vs tors. theta energy: -0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -36.485875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.485875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.485875 (E_RNA)
where:
Base-Base interactions energy: -13.572
where: short stacking energy: -13.281
Base-Backbone interact. energy: 0.121
local terms energy: -23.035331
where:
bonds (distance) C4'-P energy: -5.029
bonds (distance) P-C4' energy: -6.678
flat angles C4'-P-C4' energy: -4.988
flat angles P-C4'-P energy: -3.654
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -33.365568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.365568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.365568 (E_RNA)
where:
Base-Base interactions energy: -12.870
where: short stacking energy: -12.870
Base-Backbone interact. energy: -0.001
local terms energy: -20.495024
where:
bonds (distance) C4'-P energy: -6.114
bonds (distance) P-C4' energy: -6.665
flat angles C4'-P-C4' energy: -2.890
flat angles P-C4'-P energy: -2.296
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -45.120581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.120581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.120581 (E_RNA)
where:
Base-Base interactions energy: -20.617
where: short stacking energy: -20.617
Base-Backbone interact. energy: -0.000
local terms energy: -24.503766
where:
bonds (distance) C4'-P energy: -4.570
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -3.783
flat angles P-C4'-P energy: -3.163
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -46.582392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.582392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.582392 (E_RNA)
where:
Base-Base interactions energy: -21.971
where: short stacking energy: -21.971
Base-Backbone interact. energy: -0.000
local terms energy: -24.611341
where:
bonds (distance) C4'-P energy: -4.603
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -6.011
flat angles P-C4'-P energy: -3.018
tors. eta vs tors. theta energy: -4.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -48.868422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.868422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.868422 (E_RNA)
where:
Base-Base interactions energy: -21.216
where: short stacking energy: -17.747
Base-Backbone interact. energy: -2.730
local terms energy: -24.922540
where:
bonds (distance) C4'-P energy: -5.349
bonds (distance) P-C4' energy: -4.068
flat angles C4'-P-C4' energy: -5.157
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -5.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -45.188139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.188139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.188139 (E_RNA)
where:
Base-Base interactions energy: -18.908
where: short stacking energy: -18.908
Base-Backbone interact. energy: -0.000
local terms energy: -26.279955
where:
bonds (distance) C4'-P energy: -5.244
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -5.913
flat angles P-C4'-P energy: -3.416
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: 5, replica: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -40.114059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.114059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.114059 (E_RNA)
where:
Base-Base interactions energy: -15.740
where: short stacking energy: -11.401
Base-Backbone interact. energy: -0.000
local terms energy: -24.373927
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.891
flat angles P-C4'-P energy: -4.466
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -40.013330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.013330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.013330 (E_RNA)
where:
Base-Base interactions energy: -16.768
where: short stacking energy: -16.768
Base-Backbone interact. energy: -0.000
local terms energy: -23.245319
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -4.205
flat angles C4'-P-C4' energy: -5.617
flat angles P-C4'-P energy: -4.538
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -36.276436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.276436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.276436 (E_RNA)
where:
Base-Base interactions energy: -13.888
where: short stacking energy: -13.888
Base-Backbone interact. energy: -0.000
local terms energy: -22.388421
where:
bonds (distance) C4'-P energy: -4.044
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -4.189
flat angles P-C4'-P energy: -3.311
tors. eta vs tors. theta energy: -3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -32.423341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.423341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.423341 (E_RNA)
where:
Base-Base interactions energy: -9.172
where: short stacking energy: -9.172
Base-Backbone interact. energy: -0.006
local terms energy: -23.245184
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -6.199
flat angles C4'-P-C4' energy: -5.222
flat angles P-C4'-P energy: -3.815
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -38.582432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.582432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.582432 (E_RNA)
where:
Base-Base interactions energy: -20.340
where: short stacking energy: -11.823
Base-Backbone interact. energy: -0.003
local terms energy: -18.239776
where:
bonds (distance) C4'-P energy: -2.786
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -5.830
flat angles P-C4'-P energy: -2.762
tors. eta vs tors. theta energy: 0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -27.666963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.666963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.666963 (E_RNA)
where:
Base-Base interactions energy: -9.469
where: short stacking energy: -9.469
Base-Backbone interact. energy: -0.000
local terms energy: -18.197177
where:
bonds (distance) C4'-P energy: -4.685
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.073
flat angles P-C4'-P energy: -2.486
tors. eta vs tors. theta energy: -0.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 8
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -48.911850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.911850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.911850 (E_RNA)
where:
Base-Base interactions energy: -22.105
where: short stacking energy: -22.105
Base-Backbone interact. energy: -0.005
local terms energy: -26.802538
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -6.442
flat angles C4'-P-C4' energy: -6.220
flat angles P-C4'-P energy: -4.653
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: 2, replica: 9
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -44.429412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.429412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.429412 (E_RNA)
where:
Base-Base interactions energy: -20.801
where: short stacking energy: -20.801
Base-Backbone interact. energy: -0.000
local terms energy: -23.628508
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -6.181
flat angles C4'-P-C4' energy: -4.326
flat angles P-C4'-P energy: -3.348
tors. eta vs tors. theta energy: -4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -49.993587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.993587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.993587 (E_RNA)
where:
Base-Base interactions energy: -25.635
where: short stacking energy: -16.797
Base-Backbone interact. energy: 0.623
local terms energy: -24.981437
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -5.971
flat angles P-C4'-P energy: -4.158
tors. eta vs tors. theta energy: -3.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -45.063901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.063901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.063901 (E_RNA)
where:
Base-Base interactions energy: -19.462
where: short stacking energy: -19.462
Base-Backbone interact. energy: -0.000
local terms energy: -25.602149
where:
bonds (distance) C4'-P energy: -4.523
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.918
flat angles P-C4'-P energy: -3.391
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -42.280107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.280107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.280107 (E_RNA)
where:
Base-Base interactions energy: -19.589
where: short stacking energy: -19.589
Base-Backbone interact. energy: -0.000
local terms energy: -22.691518
where:
bonds (distance) C4'-P energy: -5.001
bonds (distance) P-C4' energy: -4.297
flat angles C4'-P-C4' energy: -5.552
flat angles P-C4'-P energy: -2.688
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -36.448971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.448971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.448971 (E_RNA)
where:
Base-Base interactions energy: -15.862
where: short stacking energy: -10.991
Base-Backbone interact. energy: -0.000
local terms energy: -20.586423
where:
bonds (distance) C4'-P energy: -3.059
bonds (distance) P-C4' energy: -5.868
flat angles C4'-P-C4' energy: -5.022
flat angles P-C4'-P energy: -2.861
tors. eta vs tors. theta energy: -3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -34.701595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.701595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.701595 (E_RNA)
where:
Base-Base interactions energy: -15.952
where: short stacking energy: -15.952
Base-Backbone interact. energy: -0.000
local terms energy: -18.749856
where:
bonds (distance) C4'-P energy: -4.673
bonds (distance) P-C4' energy: -7.134
flat angles C4'-P-C4' energy: -3.468
flat angles P-C4'-P energy: -2.680
tors. eta vs tors. theta energy: -0.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -40.468748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.468748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.468748 (E_RNA)
where:
Base-Base interactions energy: -15.669
where: short stacking energy: -15.669
Base-Backbone interact. energy: -0.001
local terms energy: -24.798360
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.015
flat angles P-C4'-P energy: -3.631
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -34.887312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.887312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.887312 (E_RNA)
where:
Base-Base interactions energy: -11.079
where: short stacking energy: -11.079
Base-Backbone interact. energy: -0.000
local terms energy: -23.808289
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -5.251
flat angles P-C4'-P energy: -3.626
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: 4
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -31.108277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.108277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.108277 (E_RNA)
where:
Base-Base interactions energy: -13.389
where: short stacking energy: -13.067
Base-Backbone interact. energy: -0.132
local terms energy: -17.586937
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -0.333
flat angles P-C4'-P energy: -5.081
tors. eta vs tors. theta energy: -0.579
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 8
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -39.985652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.985652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.985652 (E_RNA)
where:
Base-Base interactions energy: -13.700
where: short stacking energy: -12.500
Base-Backbone interact. energy: -0.002
local terms energy: -26.284279
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.619
flat angles P-C4'-P energy: -3.999
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -46.246250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.246250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.246250 (E_RNA)
where:
Base-Base interactions energy: -24.558
where: short stacking energy: -15.504
Base-Backbone interact. energy: -0.011
local terms energy: -21.676568
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -6.100
flat angles C4'-P-C4' energy: -5.527
flat angles P-C4'-P energy: -3.275
tors. eta vs tors. theta energy: -1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -43.651396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.651396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.651396 (E_RNA)
where:
Base-Base interactions energy: -19.527
where: short stacking energy: -19.527
Base-Backbone interact. energy: -0.008
local terms energy: -24.116913
where:
bonds (distance) C4'-P energy: -2.007
bonds (distance) P-C4' energy: -5.343
flat angles C4'-P-C4' energy: -6.534
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -5.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -42.196613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.196613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.196613 (E_RNA)
where:
Base-Base interactions energy: -15.535
where: short stacking energy: -15.535
Base-Backbone interact. energy: -0.000
local terms energy: -26.661540
where:
bonds (distance) C4'-P energy: -5.402
bonds (distance) P-C4' energy: -7.137
flat angles C4'-P-C4' energy: -5.052
flat angles P-C4'-P energy: -3.908
tors. eta vs tors. theta energy: -5.162
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: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -42.723155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.723155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.723155 (E_RNA)
where:
Base-Base interactions energy: -18.708
where: short stacking energy: -18.708
Base-Backbone interact. energy: -0.000
local terms energy: -24.014837
where:
bonds (distance) C4'-P energy: -5.029
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -4.612
flat angles P-C4'-P energy: -2.877
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: 6, replica: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -34.852767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.852767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.852767 (E_RNA)
where:
Base-Base interactions energy: -13.251
where: short stacking energy: -13.251
Base-Backbone interact. energy: -0.002
local terms energy: -21.600486
where:
bonds (distance) C4'-P energy: -4.694
bonds (distance) P-C4' energy: -6.457
flat angles C4'-P-C4' energy: -4.830
flat angles P-C4'-P energy: -3.171
tors. eta vs tors. theta energy: -2.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -44.542530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.542530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.542530 (E_RNA)
where:
Base-Base interactions energy: -18.329
where: short stacking energy: -18.329
Base-Backbone interact. energy: -1.340
local terms energy: -24.873308
where:
bonds (distance) C4'-P energy: -4.276
bonds (distance) P-C4' energy: -4.895
flat angles C4'-P-C4' energy: -5.719
flat angles P-C4'-P energy: -4.205
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: 8, replica: 10
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -32.404090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.404090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.404090 (E_RNA)
where:
Base-Base interactions energy: -7.530
where: short stacking energy: -6.772
Base-Backbone interact. energy: -0.410
local terms energy: -24.463973
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -5.308
flat angles P-C4'-P energy: -3.609
tors. eta vs tors. theta energy: -3.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -34.774117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.774117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.774117 (E_RNA)
where:
Base-Base interactions energy: -13.015
where: short stacking energy: -13.015
Base-Backbone interact. energy: -0.005
local terms energy: -21.753804
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -5.150
flat angles C4'-P-C4' energy: -5.043
flat angles P-C4'-P energy: -3.468
tors. eta vs tors. theta energy: -3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -32.620436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.620436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.620436 (E_RNA)
where:
Base-Base interactions energy: -13.522
where: short stacking energy: -13.522
Base-Backbone interact. energy: -0.000
local terms energy: -19.098777
where:
bonds (distance) C4'-P energy: -0.095
bonds (distance) P-C4' energy: -6.447
flat angles C4'-P-C4' energy: -5.099
flat angles P-C4'-P energy: -1.555
tors. eta vs tors. theta energy: -5.903
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 6
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -43.637397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.637397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.637397 (E_RNA)
where:
Base-Base interactions energy: -18.818
where: short stacking energy: -18.818
Base-Backbone interact. energy: -0.002
local terms energy: -24.816937
where:
bonds (distance) C4'-P energy: -4.921
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -5.235
flat angles P-C4'-P energy: -2.207
tors. eta vs tors. theta energy: -6.000
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: 2, replica: 8
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -52.403337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.403337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.403337 (E_RNA)
where:
Base-Base interactions energy: -24.588
where: short stacking energy: -24.588
Base-Backbone interact. energy: -0.000
local terms energy: -27.815164
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -4.854
flat angles C4'-P-C4' energy: -5.113
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -7.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -45.487670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.487670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.487670 (E_RNA)
where:
Base-Base interactions energy: -22.138
where: short stacking energy: -17.290
Base-Backbone interact. energy: -0.001
local terms energy: -23.348927
where:
bonds (distance) C4'-P energy: -3.386
bonds (distance) P-C4' energy: -5.830
flat angles C4'-P-C4' energy: -6.328
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -3.509
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: 9
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -44.015315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.015315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.015315 (E_RNA)
where:
Base-Base interactions energy: -16.867
where: short stacking energy: -16.867
Base-Backbone interact. energy: -0.000
local terms energy: -27.148746
where:
bonds (distance) C4'-P energy: -3.427
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -5.973
flat angles P-C4'-P energy: -4.220
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: 5, replica: 2
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -39.137870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.137870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.137870 (E_RNA)
where:
Base-Base interactions energy: -14.002
where: short stacking energy: -14.002
Base-Backbone interact. energy: -0.023
local terms energy: -25.113107
where:
bonds (distance) C4'-P energy: -2.996
bonds (distance) P-C4' energy: -6.438
flat angles C4'-P-C4' energy: -6.229
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -4.104
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: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -35.910529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.910529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.910529 (E_RNA)
where:
Base-Base interactions energy: -14.510
where: short stacking energy: -14.510
Base-Backbone interact. energy: -0.000
local terms energy: -21.400603
where:
bonds (distance) C4'-P energy: -4.143
bonds (distance) P-C4' energy: -6.464
flat angles C4'-P-C4' energy: -4.025
flat angles P-C4'-P energy: -3.510
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: 7, replica: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -35.650773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.650773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.650773 (E_RNA)
where:
Base-Base interactions energy: -16.253
where: short stacking energy: -16.253
Base-Backbone interact. energy: -0.038
local terms energy: -19.359260
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -4.557
flat angles C4'-P-C4' energy: -3.907
flat angles P-C4'-P energy: -3.919
tors. eta vs tors. theta energy: -1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -36.354153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.354153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.354153 (E_RNA)
where:
Base-Base interactions energy: -15.701
where: short stacking energy: -15.701
Base-Backbone interact. energy: -0.016
local terms energy: -20.637777
where:
bonds (distance) C4'-P energy: -4.401
bonds (distance) P-C4' energy: -3.036
flat angles C4'-P-C4' energy: -5.001
flat angles P-C4'-P energy: -3.947
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: 9, replica: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -39.624938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.624938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.624938 (E_RNA)
where:
Base-Base interactions energy: -16.649
where: short stacking energy: -16.649
Base-Backbone interact. energy: -0.000
local terms energy: -22.975588
where:
bonds (distance) C4'-P energy: -5.385
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -6.044
flat angles P-C4'-P energy: -2.923
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: 1
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -30.900998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.900998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.900998 (E_RNA)
where:
Base-Base interactions energy: -11.698
where: short stacking energy: -11.698
Base-Backbone interact. energy: -0.104
local terms energy: -19.098571
where:
bonds (distance) C4'-P energy: -3.936
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -4.045
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -0.894
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 6
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -51.604613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.604613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.604613 (E_RNA)
where:
Base-Base interactions energy: -23.778
where: short stacking energy: -23.778
Base-Backbone interact. energy: -0.000
local terms energy: -27.826246
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.480
flat angles P-C4'-P energy: -3.389
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -42.075354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.075354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.075354 (E_RNA)
where:
Base-Base interactions energy: -21.699
where: short stacking energy: -14.520
Base-Backbone interact. energy: -0.000
local terms energy: -20.375658
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.966
flat angles P-C4'-P energy: -2.657
tors. eta vs tors. theta energy: -0.723
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: 491
Temperature: 1.000000
Total energy: -43.016124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.016124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.016124 (E_RNA)
where:
Base-Base interactions energy: -24.323
where: short stacking energy: -8.655
Base-Backbone interact. energy: -0.006
local terms energy: -18.686498
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -6.883
flat angles C4'-P-C4' energy: -2.995
flat angles P-C4'-P energy: -3.052
tors. eta vs tors. theta energy: 0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -46.402302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.402302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.402302 (E_RNA)
where:
Base-Base interactions energy: -27.053
where: short stacking energy: -15.471
Base-Backbone interact. energy: -0.029
local terms energy: -19.320260
where:
bonds (distance) C4'-P energy: -5.269
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: 0.282
flat angles P-C4'-P energy: -3.400
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -42.932595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.932595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.932595 (E_RNA)
where:
Base-Base interactions energy: -16.975
where: short stacking energy: -16.975
Base-Backbone interact. energy: -0.000
local terms energy: -25.957155
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -5.232
flat angles P-C4'-P energy: -3.723
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: 6, replica: 10
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -37.869798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.869798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.869798 (E_RNA)
where:
Base-Base interactions energy: -15.784
where: short stacking energy: -15.784
Base-Backbone interact. energy: -0.002
local terms energy: -22.084195
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.438
flat angles C4'-P-C4' energy: -5.493
flat angles P-C4'-P energy: -4.266
tors. eta vs tors. theta energy: -0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -37.315245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.315245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.315245 (E_RNA)
where:
Base-Base interactions energy: -14.663
where: short stacking energy: -14.663
Base-Backbone interact. energy: -0.004
local terms energy: -22.647490
where:
bonds (distance) C4'-P energy: -5.365
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -4.181
flat angles P-C4'-P energy: -4.251
tors. eta vs tors. theta energy: -2.207
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: 4
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -33.726579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.726579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.726579 (E_RNA)
where:
Base-Base interactions energy: -11.944
where: short stacking energy: -11.944
Base-Backbone interact. energy: -0.000
local terms energy: -21.782062
where:
bonds (distance) C4'-P energy: -5.199
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -3.336
flat angles P-C4'-P energy: -2.993
tors. eta vs tors. theta energy: -3.357
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: 491
Temperature: 1.300000
Total energy: -32.182361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.182361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.182361 (E_RNA)
where:
Base-Base interactions energy: -12.569
where: short stacking energy: -12.569
Base-Backbone interact. energy: -0.071
local terms energy: -19.543072
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -3.993
flat angles P-C4'-P energy: -2.178
tors. eta vs tors. theta energy: -0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -29.701755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.701755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.701755 (E_RNA)
where:
Base-Base interactions energy: -8.003
where: short stacking energy: -7.995
Base-Backbone interact. energy: -0.090
local terms energy: -21.608940
where:
bonds (distance) C4'-P energy: -5.874
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -3.458
flat angles P-C4'-P energy: -3.779
tors. eta vs tors. theta energy: -1.877
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -58.122989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.122989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.122989 (E_RNA)
where:
Base-Base interactions energy: -31.025
where: short stacking energy: -18.850
Base-Backbone interact. energy: 0.332
local terms energy: -27.429865
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.448
flat angles C4'-P-C4' energy: -6.194
flat angles P-C4'-P energy: -4.878
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -40.395100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.395100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.395100 (E_RNA)
where:
Base-Base interactions energy: -14.470
where: short stacking energy: -14.470
Base-Backbone interact. energy: 0.302
local terms energy: -26.226864
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -6.396
flat angles C4'-P-C4' energy: -5.727
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -43.311673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.311673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.311673 (E_RNA)
where:
Base-Base interactions energy: -19.241
where: short stacking energy: -19.241
Base-Backbone interact. energy: -0.004
local terms energy: -24.066944
where:
bonds (distance) C4'-P energy: -6.238
bonds (distance) P-C4' energy: -4.910
flat angles C4'-P-C4' energy: -4.529
flat angles P-C4'-P energy: -3.754
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -41.269000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.269000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.269000 (E_RNA)
where:
Base-Base interactions energy: -17.941
where: short stacking energy: -12.955
Base-Backbone interact. energy: -0.060
local terms energy: -23.268463
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -5.608
flat angles P-C4'-P energy: -3.389
tors. eta vs tors. theta energy: -2.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -38.392893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.392893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.392893 (E_RNA)
where:
Base-Base interactions energy: -18.802
where: short stacking energy: -13.724
Base-Backbone interact. energy: -0.053
local terms energy: -19.537889
where:
bonds (distance) C4'-P energy: -3.431
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.859
flat angles P-C4'-P energy: -3.167
tors. eta vs tors. theta energy: -1.179
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: 9
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -40.126128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.126128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.126128 (E_RNA)
where:
Base-Base interactions energy: -17.369
where: short stacking energy: -17.369
Base-Backbone interact. energy: -0.000
local terms energy: -22.756934
where:
bonds (distance) C4'-P energy: -5.055
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -2.817
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -4.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -35.613839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.613839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.613839 (E_RNA)
where:
Base-Base interactions energy: -14.146
where: short stacking energy: -14.146
Base-Backbone interact. energy: -0.000
local terms energy: -21.467798
where:
bonds (distance) C4'-P energy: -4.015
bonds (distance) P-C4' energy: -3.548
flat angles C4'-P-C4' energy: -5.321
flat angles P-C4'-P energy: -4.217
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: 8, replica: 3
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -36.309294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.309294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.309294 (E_RNA)
where:
Base-Base interactions energy: -11.868
where: short stacking energy: -11.868
Base-Backbone interact. energy: -0.005
local terms energy: -24.436967
where:
bonds (distance) C4'-P energy: -5.882
bonds (distance) P-C4' energy: -5.469
flat angles C4'-P-C4' energy: -5.038
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -3.711
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: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -36.667984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.667984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.667984 (E_RNA)
where:
Base-Base interactions energy: -14.865
where: short stacking energy: -14.865
Base-Backbone interact. energy: -0.000
local terms energy: -21.803066
where:
bonds (distance) C4'-P energy: -5.365
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -5.326
flat angles P-C4'-P energy: -2.182
tors. eta vs tors. theta energy: -2.946
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: 7
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -35.453938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.453938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.453938 (E_RNA)
where:
Base-Base interactions energy: -10.572
where: short stacking energy: -10.572
Base-Backbone interact. energy: -0.001
local terms energy: -24.880212
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -5.861
flat angles C4'-P-C4' energy: -5.610
flat angles P-C4'-P energy: -3.877
tors. eta vs tors. theta energy: -3.829
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -56.047333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.047333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.047333 (E_RNA)
where:
Base-Base interactions energy: -28.604
where: short stacking energy: -15.308
Base-Backbone interact. energy: -1.197
local terms energy: -26.246624
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -6.410
flat angles C4'-P-C4' energy: -4.898
flat angles P-C4'-P energy: -4.480
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -43.528050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.528050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.528050 (E_RNA)
where:
Base-Base interactions energy: -20.507
where: short stacking energy: -20.507
Base-Backbone interact. energy: -0.002
local terms energy: -23.019092
where:
bonds (distance) C4'-P energy: -4.471
bonds (distance) P-C4' energy: -6.094
flat angles C4'-P-C4' energy: -5.753
flat angles P-C4'-P energy: -4.674
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: 3, replica: 6
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -42.850027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.850027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.850027 (E_RNA)
where:
Base-Base interactions energy: -15.998
where: short stacking energy: -15.998
Base-Backbone interact. energy: -0.000
local terms energy: -26.852224
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -6.678
flat angles C4'-P-C4' energy: -6.012
flat angles P-C4'-P energy: -4.214
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -41.364051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.364051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.364051 (E_RNA)
where:
Base-Base interactions energy: -15.546
where: short stacking energy: -14.410
Base-Backbone interact. energy: -0.866
local terms energy: -24.952109
where:
bonds (distance) C4'-P energy: -4.694
bonds (distance) P-C4' energy: -5.868
flat angles C4'-P-C4' energy: -5.199
flat angles P-C4'-P energy: -5.175
tors. eta vs tors. theta energy: -4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -44.841950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.841950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.841950 (E_RNA)
where:
Base-Base interactions energy: -22.247
where: short stacking energy: -12.746
Base-Backbone interact. energy: -0.097
local terms energy: -22.498290
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -5.587
flat angles P-C4'-P energy: -3.396
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: 6, replica: 4
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -32.625211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.625211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.625211 (E_RNA)
where:
Base-Base interactions energy: -13.741
where: short stacking energy: -13.741
Base-Backbone interact. energy: -0.045
local terms energy: -18.839373
where:
bonds (distance) C4'-P energy: -4.107
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -2.029
flat angles P-C4'-P energy: -4.355
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: 7, replica: 9
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -37.755832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.755832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.755832 (E_RNA)
where:
Base-Base interactions energy: -15.771
where: short stacking energy: -15.771
Base-Backbone interact. energy: -1.024
local terms energy: -20.961000
where:
bonds (distance) C4'-P energy: -2.049
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -3.630
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -38.733583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.733583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.733583 (E_RNA)
where:
Base-Base interactions energy: -13.804
where: short stacking energy: -13.804
Base-Backbone interact. energy: -0.008
local terms energy: -24.921912
where:
bonds (distance) C4'-P energy: -4.123
bonds (distance) P-C4' energy: -6.897
flat angles C4'-P-C4' energy: -6.097
flat angles P-C4'-P energy: -3.574
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: 9, replica: 3
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -36.898439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.898439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.898439 (E_RNA)
where:
Base-Base interactions energy: -13.943
where: short stacking energy: -13.943
Base-Backbone interact. energy: -0.013
local terms energy: -22.942986
where:
bonds (distance) C4'-P energy: -2.981
bonds (distance) P-C4' energy: -5.086
flat angles C4'-P-C4' energy: -5.349
flat angles P-C4'-P energy: -3.616
tors. eta vs tors. theta energy: -5.911
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: 10, replica: 7
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -28.651494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.651494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.651494 (E_RNA)
where:
Base-Base interactions energy: -7.063
where: short stacking energy: -7.063
Base-Backbone interact. energy: -0.100
local terms energy: -21.488471
where:
bonds (distance) C4'-P energy: -5.257
bonds (distance) P-C4' energy: -4.363
flat angles C4'-P-C4' energy: -5.245
flat angles P-C4'-P energy: -3.569
tors. eta vs tors. theta energy: -3.054
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -55.330797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.330797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.330797 (E_RNA)
where:
Base-Base interactions energy: -33.267
where: short stacking energy: -19.027
Base-Backbone interact. energy: -1.324
local terms energy: -20.739776
where:
bonds (distance) C4'-P energy: -4.781
bonds (distance) P-C4' energy: -3.321
flat angles C4'-P-C4' energy: -4.757
flat angles P-C4'-P energy: -3.934
tors. eta vs tors. theta energy: -3.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -42.176239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.176239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.176239 (E_RNA)
where:
Base-Base interactions energy: -17.591
where: short stacking energy: -16.746
Base-Backbone interact. energy: -0.000
local terms energy: -24.584781
where:
bonds (distance) C4'-P energy: -4.451
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -5.480
flat angles P-C4'-P energy: -3.504
tors. eta vs tors. theta energy: -4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -42.900216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.900216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.900216 (E_RNA)
where:
Base-Base interactions energy: -22.135
where: short stacking energy: -13.324
Base-Backbone interact. energy: -0.055
local terms energy: -20.709354
where:
bonds (distance) C4'-P energy: -5.419
bonds (distance) P-C4' energy: -5.534
flat angles C4'-P-C4' energy: -5.447
flat angles P-C4'-P energy: -4.545
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: 4, replica: 6
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -44.303982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.303982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.303982 (E_RNA)
where:
Base-Base interactions energy: -20.067
where: short stacking energy: -20.067
Base-Backbone interact. energy: -0.002
local terms energy: -24.234765
where:
bonds (distance) C4'-P energy: -5.083
bonds (distance) P-C4' energy: -5.956
flat angles C4'-P-C4' energy: -6.452
flat angles P-C4'-P energy: -2.556
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: 5, replica: 4
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -39.622427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.622427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.622427 (E_RNA)
where:
Base-Base interactions energy: -17.208
where: short stacking energy: -15.162
Base-Backbone interact. energy: -0.006
local terms energy: -22.408337
where:
bonds (distance) C4'-P energy: -5.109
bonds (distance) P-C4' energy: -6.217
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -4.259
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: 6, replica: 8
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -35.292881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.292881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.292881 (E_RNA)
where:
Base-Base interactions energy: -15.141
where: short stacking energy: -15.141
Base-Backbone interact. energy: -0.001
local terms energy: -20.150670
where:
bonds (distance) C4'-P energy: -4.835
bonds (distance) P-C4' energy: -5.723
flat angles C4'-P-C4' energy: -3.820
flat angles P-C4'-P energy: -2.559
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -35.436859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.436859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.436859 (E_RNA)
where:
Base-Base interactions energy: -14.178
where: short stacking energy: -14.178
Base-Backbone interact. energy: -0.004
local terms energy: -21.254341
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -4.885
flat angles C4'-P-C4' energy: -6.751
flat angles P-C4'-P energy: -1.156
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: 8, replica: 9
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -38.274999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.274999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.274999 (E_RNA)
where:
Base-Base interactions energy: -15.494
where: short stacking energy: -15.494
Base-Backbone interact. energy: -0.000
local terms energy: -22.780917
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -4.544
flat angles P-C4'-P energy: -3.619
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -31.533991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.533991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.533991 (E_RNA)
where:
Base-Base interactions energy: -13.422
where: short stacking energy: -13.422
Base-Backbone interact. energy: -0.000
local terms energy: -18.112380
where:
bonds (distance) C4'-P energy: -0.616
bonds (distance) P-C4' energy: -5.273
flat angles C4'-P-C4' energy: -4.919
flat angles P-C4'-P energy: -3.554
tors. eta vs tors. theta energy: -3.750
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: 3
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -35.150113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.150113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.150113 (E_RNA)
where:
Base-Base interactions energy: -11.895
where: short stacking energy: -11.895
Base-Backbone interact. energy: -0.001
local terms energy: -23.253548
where:
bonds (distance) C4'-P energy: -5.492
bonds (distance) P-C4' energy: -4.825
flat angles C4'-P-C4' energy: -3.997
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -58.382671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.382671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.382671 (E_RNA)
where:
Base-Base interactions energy: -31.104
where: short stacking energy: -16.935
Base-Backbone interact. energy: -2.322
local terms energy: -24.956477
where:
bonds (distance) C4'-P energy: -5.075
bonds (distance) P-C4' energy: -4.625
flat angles C4'-P-C4' energy: -5.634
flat angles P-C4'-P energy: -5.545
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: 2, replica: 10
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -38.878645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.878645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.878645 (E_RNA)
where:
Base-Base interactions energy: -14.671
where: short stacking energy: -9.518
Base-Backbone interact. energy: -0.008
local terms energy: -24.200339
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -6.515
flat angles P-C4'-P energy: -4.236
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: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -43.697283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.697283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.697283 (E_RNA)
where:
Base-Base interactions energy: -17.167
where: short stacking energy: -17.167
Base-Backbone interact. energy: -0.028
local terms energy: -26.502035
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -4.758
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: -4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -43.727322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.727322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.727322 (E_RNA)
where:
Base-Base interactions energy: -18.721
where: short stacking energy: -18.721
Base-Backbone interact. energy: -0.000
local terms energy: -25.005866
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -6.122
flat angles C4'-P-C4' energy: -5.014
flat angles P-C4'-P energy: -5.061
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: 5, replica: 6
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -36.394071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.394071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.394071 (E_RNA)
where:
Base-Base interactions energy: -17.496
where: short stacking energy: -8.351
Base-Backbone interact. energy: -0.247
local terms energy: -18.651532
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -6.122
flat angles C4'-P-C4' energy: -5.753
flat angles P-C4'-P energy: -2.792
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: 6, replica: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -38.916390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.916390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.916390 (E_RNA)
where:
Base-Base interactions energy: -16.848
where: short stacking energy: -11.557
Base-Backbone interact. energy: -0.002
local terms energy: -22.066261
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -6.668
flat angles C4'-P-C4' energy: -4.055
flat angles P-C4'-P energy: -3.955
tors. eta vs tors. theta energy: -2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -33.749630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.749630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.749630 (E_RNA)
where:
Base-Base interactions energy: -12.355
where: short stacking energy: -12.355
Base-Backbone interact. energy: 0.065
local terms energy: -21.459371
where:
bonds (distance) C4'-P energy: -4.756
bonds (distance) P-C4' energy: -5.763
flat angles C4'-P-C4' energy: -2.452
flat angles P-C4'-P energy: -3.762
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: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -37.551153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.551153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.551153 (E_RNA)
where:
Base-Base interactions energy: -13.421
where: short stacking energy: -13.421
Base-Backbone interact. energy: -0.000
local terms energy: -24.129590
where:
bonds (distance) C4'-P energy: -2.615
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -6.063
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -34.984494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.984494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.984494 (E_RNA)
where:
Base-Base interactions energy: -12.279
where: short stacking energy: -12.279
Base-Backbone interact. energy: -0.001
local terms energy: -22.704263
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.660
flat angles P-C4'-P energy: -2.216
tors. eta vs tors. theta energy: -3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -36.666216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.666216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.666216 (E_RNA)
where:
Base-Base interactions energy: -16.736
where: short stacking energy: -16.736
Base-Backbone interact. energy: -0.000
local terms energy: -19.930496
where:
bonds (distance) C4'-P energy: -3.572
bonds (distance) P-C4' energy: -4.431
flat angles C4'-P-C4' energy: -4.569
flat angles P-C4'-P energy: -2.626
tors. eta vs tors. theta energy: -4.733
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 10
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -48.418723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.418723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.418723 (E_RNA)
where:
Base-Base interactions energy: -21.502
where: short stacking energy: -21.502
Base-Backbone interact. energy: -0.001
local terms energy: -26.916207
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -5.426
flat angles C4'-P-C4' energy: -6.059
flat angles P-C4'-P energy: -3.298
tors. eta vs tors. theta energy: -6.198
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: 5
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -48.242310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.242310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.242310 (E_RNA)
where:
Base-Base interactions energy: -20.464
where: short stacking energy: -20.464
Base-Backbone interact. energy: -0.000
local terms energy: -27.778468
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -5.580
flat angles P-C4'-P energy: -3.948
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -50.670639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.670639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.670639 (E_RNA)
where:
Base-Base interactions energy: -22.106
where: short stacking energy: -22.106
Base-Backbone interact. energy: -0.000
local terms energy: -28.564275
where:
bonds (distance) C4'-P energy: -6.462
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -5.283
flat angles P-C4'-P energy: -4.785
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: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -40.071018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.071018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.071018 (E_RNA)
where:
Base-Base interactions energy: -20.340
where: short stacking energy: -16.689
Base-Backbone interact. energy: -0.002
local terms energy: -19.729191
where:
bonds (distance) C4'-P energy: -4.975
bonds (distance) P-C4' energy: -4.821
flat angles C4'-P-C4' energy: -4.104
flat angles P-C4'-P energy: -1.702
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -36.902933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.902933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.902933 (E_RNA)
where:
Base-Base interactions energy: -16.456
where: short stacking energy: -16.456
Base-Backbone interact. energy: -0.001
local terms energy: -20.445977
where:
bonds (distance) C4'-P energy: -3.059
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -4.705
flat angles P-C4'-P energy: -3.191
tors. eta vs tors. theta energy: -2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -34.870337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.870337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.870337 (E_RNA)
where:
Base-Base interactions energy: -11.617
where: short stacking energy: -11.617
Base-Backbone interact. energy: -0.000
local terms energy: -23.252869
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -5.003
flat angles C4'-P-C4' energy: -3.640
flat angles P-C4'-P energy: -3.973
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: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -37.685920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.685920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.685920 (E_RNA)
where:
Base-Base interactions energy: -13.076
where: short stacking energy: -13.076
Base-Backbone interact. energy: -0.002
local terms energy: -24.607856
where:
bonds (distance) C4'-P energy: -5.775
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -2.285
flat angles P-C4'-P energy: -3.867
tors. eta vs tors. theta energy: -5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -37.269399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.269399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.269399 (E_RNA)
where:
Base-Base interactions energy: -14.905
where: short stacking energy: -14.905
Base-Backbone interact. energy: -0.006
local terms energy: -22.357875
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -6.432
flat angles C4'-P-C4' energy: -5.287
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -30.544552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.544552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.544552 (E_RNA)
where:
Base-Base interactions energy: -8.851
where: short stacking energy: -8.851
Base-Backbone interact. energy: -0.007
local terms energy: -21.686945
where:
bonds (distance) C4'-P energy: -5.117
bonds (distance) P-C4' energy: -6.203
flat angles C4'-P-C4' energy: -5.804
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: 0.546
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: 10, replica: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -42.156922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.156922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.156922 (E_RNA)
where:
Base-Base interactions energy: -23.855
where: short stacking energy: -12.382
Base-Backbone interact. energy: -0.001
local terms energy: -18.301285
where:
bonds (distance) C4'-P energy: -5.278
bonds (distance) P-C4' energy: -4.039
flat angles C4'-P-C4' energy: -6.156
flat angles P-C4'-P energy: -0.553
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 10
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -46.554593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.554593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.554593 (E_RNA)
where:
Base-Base interactions energy: -25.181
where: short stacking energy: -16.498
Base-Backbone interact. energy: -0.010
local terms energy: -21.363465
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -5.069
flat angles C4'-P-C4' energy: -4.978
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: -1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -47.724989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.724989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.724989 (E_RNA)
where:
Base-Base interactions energy: -21.470
where: short stacking energy: -21.470
Base-Backbone interact. energy: -0.000
local terms energy: -26.255175
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -4.740
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -5.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -52.723437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.723437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.723437 (E_RNA)
where:
Base-Base interactions energy: -22.893
where: short stacking energy: -22.893
Base-Backbone interact. energy: -0.000
local terms energy: -29.830103
where:
bonds (distance) C4'-P energy: -5.572
bonds (distance) P-C4' energy: -5.871
flat angles C4'-P-C4' energy: -6.509
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -44.631144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.631144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.631144 (E_RNA)
where:
Base-Base interactions energy: -21.777
where: short stacking energy: -21.777
Base-Backbone interact. energy: -0.007
local terms energy: -22.846570
where:
bonds (distance) C4'-P energy: -4.748
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -5.483
flat angles P-C4'-P energy: -2.547
tors. eta vs tors. theta energy: -3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -38.855045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.855045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.855045 (E_RNA)
where:
Base-Base interactions energy: -17.855
where: short stacking energy: -17.855
Base-Backbone interact. energy: -0.025
local terms energy: -20.975148
where:
bonds (distance) C4'-P energy: -3.522
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -5.582
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: 0.038
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: 9
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -37.206330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.206330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.206330 (E_RNA)
where:
Base-Base interactions energy: -15.857
where: short stacking energy: -15.857
Base-Backbone interact. energy: -0.000
local terms energy: -21.349234
where:
bonds (distance) C4'-P energy: -3.050
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -3.965
flat angles P-C4'-P energy: -3.540
tors. eta vs tors. theta energy: -3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -38.277121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.277121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.277121 (E_RNA)
where:
Base-Base interactions energy: -14.572
where: short stacking energy: -14.572
Base-Backbone interact. energy: -0.008
local terms energy: -23.697130
where:
bonds (distance) C4'-P energy: -3.299
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -4.196
flat angles P-C4'-P energy: -3.448
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -36.606125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.606125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.606125 (E_RNA)
where:
Base-Base interactions energy: -16.736
where: short stacking energy: -16.736
Base-Backbone interact. energy: -0.000
local terms energy: -19.869897
where:
bonds (distance) C4'-P energy: -2.687
bonds (distance) P-C4' energy: -5.048
flat angles C4'-P-C4' energy: -5.955
flat angles P-C4'-P energy: -2.795
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -33.781111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.781111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.781111 (E_RNA)
where:
Base-Base interactions energy: -10.628
where: short stacking energy: -10.628
Base-Backbone interact. energy: -0.048
local terms energy: -23.105592
where:
bonds (distance) C4'-P energy: -5.820
bonds (distance) P-C4' energy: -5.594
flat angles C4'-P-C4' energy: -5.515
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: -1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -31.236265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.236265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.236265 (E_RNA)
where:
Base-Base interactions energy: -16.877
where: short stacking energy: -16.977
Base-Backbone interact. energy: -0.002
local terms energy: -14.357004
where:
bonds (distance) C4'-P energy: -2.951
bonds (distance) P-C4' energy: -5.541
flat angles C4'-P-C4' energy: -4.334
flat angles P-C4'-P energy: 0.309
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)