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/U24-ff53cdbb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa: 1
curr_seq: _AAAAAAAAAAAAAAAAAAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAAAAAAAAAAAAAAAAAA
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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 = 2.350
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa: 1
curr_seq: _AAAAAAAAAAAAAAAAAAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAAAAAAAAAAAAAAAAAA
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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 = 2.367
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa: 1
curr_seq: _AAAAAAAAAAAAAAAAAAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAAAAAAAAAAAAAAAAAA
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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 = 2.383
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa: 1
curr_seq: _AAAAAAAAAAAAAAAAAAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAAAAAAAAAAAAAAAAAA
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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 = 2.400
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa: 1
curr_seq: _AAAAAAAAAAAAAAAAAAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAAAAAAAAAAAAAAAAAA
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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 = 2.417
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa: 1
curr_seq: _AAAAAAAAAAAAAAAAAAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAAAAAAAAAAAAAAAAAA
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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 = 2.433
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa: 1
curr_seq: _AAAAAAAAAAAAAAAAAAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAAAAAAAAAAAAAAAAAA
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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 = 2.450
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa: 1
curr_seq: _AAAAAAAAAAAAAAAAAAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAAAAAAAAAAAAAAAAAA
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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 = 2.467
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa: 1
curr_seq: _AAAAAAAAAAAAAAAAAAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAAAAAAAAAAAAAAAAAA
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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 = 2.483
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U24-ff53cdbb/inputs/seq.fa: 1
curr_seq: _AAAAAAAAAAAAAAAAAAAAAAAA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAAAAAAAAAAAAAAAAAAAA
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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 = 2.500
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: 2.350000
Total energy: -90.518865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.518865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.518865 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
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: 2
=====================================
Write number: 1
Temperature: 2.366667
Total energy: -90.518865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.518865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.518865 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 2.383333
Total energy: -90.518865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.518865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.518865 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 2.400000
Total energy: -90.518865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.518865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.518865 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 2.416667
Total energy: -90.518865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.518865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.518865 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 2.433333
Total energy: -90.518865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.518865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.518865 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 2.450000
Total energy: -90.518865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.518865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.518865 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 2.466667
Total energy: -90.518865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.518865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.518865 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 2.483333
Total energy: -90.518865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.518865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.518865 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 2.500000
Total energy: -90.518865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.518865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.518865 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 2.350000
Total energy: -89.115993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.115993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.115993 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -87.856678
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -19.894
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 2.366667
Total energy: -89.115993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.115993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.115993 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -87.856678
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -19.894
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: 3, replica: 3
=====================================
Write number: 2
Temperature: 2.383333
Total energy: -89.115993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.115993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.115993 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -87.856678
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -19.894
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 2.400000
Total energy: -89.115993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.115993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.115993 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -87.856678
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -19.894
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 2.416667
Total energy: -89.115993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.115993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.115993 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -87.856678
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -19.894
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 2.433333
Total energy: -89.115994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.115994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.115994 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -87.856678
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -19.894
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: 7
=====================================
Write number: 2
Temperature: 2.450000
Total energy: -89.115994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.115994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.115994 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -87.856678
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -19.894
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 2.466667
Total energy: -89.115994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.115994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.115994 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -87.856678
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -19.894
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 2.483333
Total energy: -89.115994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.115994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.115994 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -87.856678
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -19.894
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 2.500000
Total energy: -89.115994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.115994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.115994 (E_RNA)
where:
Base-Base interactions energy: -1.259
where: short stacking energy: -1.259
Base-Backbone interact. energy: -0.000
local terms energy: -87.856678
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -19.894
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 2.350000
Total energy: -40.307773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.307773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.307773 (E_RNA)
where:
Base-Base interactions energy: -8.737
where: short stacking energy: -7.034
Base-Backbone interact. energy: -0.091
local terms energy: -31.479653
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -2.082
flat angles P-C4'-P energy: -3.087
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: 2, replica: 3
=====================================
Write number: 3
Temperature: 2.366667
Total energy: -37.448846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.448846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.448846 (E_RNA)
where:
Base-Base interactions energy: -8.062
where: short stacking energy: -7.106
Base-Backbone interact. energy: -0.393
local terms energy: -28.994183
where:
bonds (distance) C4'-P energy: -8.372
bonds (distance) P-C4' energy: -9.504
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -5.891
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: 3, replica: 2
=====================================
Write number: 3
Temperature: 2.383333
Total energy: -39.831642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.831642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.831642 (E_RNA)
where:
Base-Base interactions energy: -11.199
where: short stacking energy: -9.152
Base-Backbone interact. energy: -0.040
local terms energy: -28.593060
where:
bonds (distance) C4'-P energy: -8.282
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -1.864
flat angles P-C4'-P energy: -6.126
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: 4, replica: 5
=====================================
Write number: 3
Temperature: 2.400000
Total energy: -35.712375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.712375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.712375 (E_RNA)
where:
Base-Base interactions energy: -5.546
where: short stacking energy: -4.974
Base-Backbone interact. energy: -0.486
local terms energy: -29.679574
where:
bonds (distance) C4'-P energy: -8.079
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: 11.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 2.416667
Total energy: -40.219628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.219628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.219628 (E_RNA)
where:
Base-Base interactions energy: -0.409
where: short stacking energy: -0.509
Base-Backbone interact. energy: 1.186
local terms energy: -40.996861
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -9.596
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: 8.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 2.433333
Total energy: -41.517974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.517974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.517974 (E_RNA)
where:
Base-Base interactions energy: -12.500
where: short stacking energy: -11.980
Base-Backbone interact. energy: -0.221
local terms energy: -28.797455
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -7.924
flat angles C4'-P-C4' energy: -5.660
flat angles P-C4'-P energy: -3.521
tors. eta vs tors. theta energy: 0.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 2.450000
Total energy: -35.392787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.392787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.392787 (E_RNA)
where:
Base-Base interactions energy: -10.016
where: short stacking energy: -3.241
Base-Backbone interact. energy: -0.443
local terms energy: -24.934088
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -9.709
flat angles C4'-P-C4' energy: -6.076
flat angles P-C4'-P energy: 0.014
tors. eta vs tors. theta energy: 7.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 2.466667
Total energy: -34.332279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.332279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.332279 (E_RNA)
where:
Base-Base interactions energy: -6.335
where: short stacking energy: -3.005
Base-Backbone interact. energy: -0.474
local terms energy: -27.523654
where:
bonds (distance) C4'-P energy: -9.102
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -2.754
tors. eta vs tors. theta energy: 11.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 2.483333
Total energy: -44.710428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.710428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.710428 (E_RNA)
where:
Base-Base interactions energy: -13.685
where: short stacking energy: -12.792
Base-Backbone interact. energy: -0.540
local terms energy: -30.485803
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -4.722
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -3.397
tors. eta vs tors. theta energy: 1.768
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: 3
Temperature: 2.500000
Total energy: -38.799457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.799457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.799457 (E_RNA)
where:
Base-Base interactions energy: -9.428
where: short stacking energy: -7.798
Base-Backbone interact. energy: 0.261
local terms energy: -29.632862
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: 2.481
flat angles P-C4'-P energy: -12.806
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: 1, replica: 3
=====================================
Write number: 4
Temperature: 2.350000
Total energy: -53.061854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.061854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.061854 (E_RNA)
where:
Base-Base interactions energy: -10.169
where: short stacking energy: -5.654
Base-Backbone interact. energy: 3.160
local terms energy: -46.052710
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: 3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 2.366667
Total energy: -41.411276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.411276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.411276 (E_RNA)
where:
Base-Base interactions energy: -10.780
where: short stacking energy: -6.342
Base-Backbone interact. energy: -0.623
local terms energy: -30.008850
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -9.480
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: 10.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 2.383333
Total energy: -39.809139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.809139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.809139 (E_RNA)
where:
Base-Base interactions energy: -10.945
where: short stacking energy: -9.664
Base-Backbone interact. energy: -0.136
local terms energy: -28.727526
where:
bonds (distance) C4'-P energy: -10.138
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: 1.611
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: 4, replica: 2
=====================================
Write number: 4
Temperature: 2.400000
Total energy: -51.296397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.296397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.296397 (E_RNA)
where:
Base-Base interactions energy: -14.079
where: short stacking energy: -9.365
Base-Backbone interact. energy: 0.651
local terms energy: -37.867864
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: 0.784
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: 4
Temperature: 2.416667
Total energy: -38.794167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.794167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.794167 (E_RNA)
where:
Base-Base interactions energy: -8.361
where: short stacking energy: -7.300
Base-Backbone interact. energy: -0.143
local terms energy: -30.290050
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -8.169
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: 6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 2.433333
Total energy: -32.269522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.269522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.269522 (E_RNA)
where:
Base-Base interactions energy: -2.672
where: short stacking energy: -0.420
Base-Backbone interact. energy: 1.821
local terms energy: -31.419075
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -5.039
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: 8.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 2.450000
Total energy: -35.587369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.587369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.587369 (E_RNA)
where:
Base-Base interactions energy: -7.082
where: short stacking energy: -7.082
Base-Backbone interact. energy: 0.337
local terms energy: -28.842079
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -9.080
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -0.658
tors. eta vs tors. theta energy: 5.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 2.466667
Total energy: -35.878306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.878306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.878306 (E_RNA)
where:
Base-Base interactions energy: -5.734
where: short stacking energy: -5.486
Base-Backbone interact. energy: -0.074
local terms energy: -30.070015
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -6.660
flat angles C4'-P-C4' energy: -7.233
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: 6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 2.483333
Total energy: -32.034001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.034001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.034001 (E_RNA)
where:
Base-Base interactions energy: -1.466
where: short stacking energy: -1.466
Base-Backbone interact. energy: -0.124
local terms energy: -30.443066
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -3.697
flat angles P-C4'-P energy: -5.457
tors. eta vs tors. theta energy: 5.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 2.500000
Total energy: -38.234901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.234901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.234901 (E_RNA)
where:
Base-Base interactions energy: -3.469
where: short stacking energy: -1.619
Base-Backbone interact. energy: -0.263
local terms energy: -34.503538
where:
bonds (distance) C4'-P energy: -8.067
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -8.861
flat angles P-C4'-P energy: -4.389
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: 1, replica: 3
=====================================
Write number: 5
Temperature: 2.350000
Total energy: -38.901191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.901191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.901191 (E_RNA)
where:
Base-Base interactions energy: -13.447
where: short stacking energy: -7.531
Base-Backbone interact. energy: -0.310
local terms energy: -25.144037
where:
bonds (distance) C4'-P energy: -8.812
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -3.607
flat angles P-C4'-P energy: -3.697
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: 2, replica: 5
=====================================
Write number: 5
Temperature: 2.366667
Total energy: -41.687097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.687097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.687097 (E_RNA)
where:
Base-Base interactions energy: -7.709
where: short stacking energy: -7.103
Base-Backbone interact. energy: -0.573
local terms energy: -33.405638
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: 13.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 2.383333
Total energy: -40.212364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.212364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.212364 (E_RNA)
where:
Base-Base interactions energy: -3.614
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.157
local terms energy: -36.441229
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -5.664
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: 4, replica: 7
=====================================
Write number: 5
Temperature: 2.400000
Total energy: -37.118297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.118297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.118297 (E_RNA)
where:
Base-Base interactions energy: -7.887
where: short stacking energy: -7.814
Base-Backbone interact. energy: -0.390
local terms energy: -28.841001
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -5.883
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: 7.338
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: 2
=====================================
Write number: 5
Temperature: 2.416667
Total energy: -34.938392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.938392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.938392 (E_RNA)
where:
Base-Base interactions energy: -6.968
where: short stacking energy: -3.699
Base-Backbone interact. energy: -0.235
local terms energy: -27.735489
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -4.281
flat angles P-C4'-P energy: -2.779
tors. eta vs tors. theta energy: 6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 2.433333
Total energy: -34.133301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.133301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.133301 (E_RNA)
where:
Base-Base interactions energy: -4.769
where: short stacking energy: -3.320
Base-Backbone interact. energy: -0.290
local terms energy: -29.074719
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -3.835
flat angles P-C4'-P energy: -6.319
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: 7, replica: 4
=====================================
Write number: 5
Temperature: 2.450000
Total energy: -35.526803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.526803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.526803 (E_RNA)
where:
Base-Base interactions energy: -11.014
where: short stacking energy: -9.096
Base-Backbone interact. energy: -0.099
local terms energy: -24.413894
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -10.425
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -1.307
tors. eta vs tors. theta energy: 11.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 2.466667
Total energy: -37.870994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.870994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.870994 (E_RNA)
where:
Base-Base interactions energy: -5.100
where: short stacking energy: -6.600
Base-Backbone interact. energy: -1.080
local terms energy: -31.690647
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -5.763
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: 11.284
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: 9, replica: 6
=====================================
Write number: 5
Temperature: 2.483333
Total energy: -34.653850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.653850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.653850 (E_RNA)
where:
Base-Base interactions energy: -3.964
where: short stacking energy: -3.964
Base-Backbone interact. energy: -0.194
local terms energy: -30.495201
where:
bonds (distance) C4'-P energy: -8.262
bonds (distance) P-C4' energy: -5.608
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -10.678
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: 10, replica: 8
=====================================
Write number: 5
Temperature: 2.500000
Total energy: -40.850241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.850241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.850241 (E_RNA)
where:
Base-Base interactions energy: -12.470
where: short stacking energy: -11.696
Base-Backbone interact. energy: 0.332
local terms energy: -28.712682
where:
bonds (distance) C4'-P energy: -4.739
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -7.536
flat angles P-C4'-P energy: 3.577
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: 1, replica: 5
=====================================
Write number: 6
Temperature: 2.350000
Total energy: -39.117914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.117914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.117914 (E_RNA)
where:
Base-Base interactions energy: -11.376
where: short stacking energy: -7.072
Base-Backbone interact. energy: 2.592
local terms energy: -30.333966
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -9.967
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -0.573
tors. eta vs tors. theta energy: 8.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 2.366667
Total energy: -41.409917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.409917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.409917 (E_RNA)
where:
Base-Base interactions energy: -16.662
where: short stacking energy: -16.662
Base-Backbone interact. energy: 0.817
local terms energy: -25.565320
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -4.382
flat angles C4'-P-C4' energy: -4.511
flat angles P-C4'-P energy: -6.060
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: 3, replica: 7
=====================================
Write number: 6
Temperature: 2.383333
Total energy: -34.969581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.969581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.969581 (E_RNA)
where:
Base-Base interactions energy: -5.282
where: short stacking energy: -1.802
Base-Backbone interact. energy: 0.260
local terms energy: -29.947826
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -3.423
tors. eta vs tors. theta energy: 9.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 2.400000
Total energy: -35.502326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.502326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.502326 (E_RNA)
where:
Base-Base interactions energy: -6.940
where: short stacking energy: -3.654
Base-Backbone interact. energy: -0.755
local terms energy: -27.807463
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -10.227
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -4.068
tors. eta vs tors. theta energy: 9.229
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: 9
=====================================
Write number: 6
Temperature: 2.416667
Total energy: -38.293008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.293008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.293008 (E_RNA)
where:
Base-Base interactions energy: -1.354
where: short stacking energy: -0.872
Base-Backbone interact. energy: -0.073
local terms energy: -36.865733
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -9.491
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -2.776
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: 6, replica: 2
=====================================
Write number: 6
Temperature: 2.433333
Total energy: -41.576453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.576453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.576453 (E_RNA)
where:
Base-Base interactions energy: -9.990
where: short stacking energy: -9.364
Base-Backbone interact. energy: 1.967
local terms energy: -33.553486
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -9.458
flat angles C4'-P-C4' energy: -7.304
flat angles P-C4'-P energy: -6.809
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: 7, replica: 10
=====================================
Write number: 6
Temperature: 2.450000
Total energy: -34.947732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.947732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.947732 (E_RNA)
where:
Base-Base interactions energy: -11.005
where: short stacking energy: -9.284
Base-Backbone interact. energy: -0.597
local terms energy: -23.344960
where:
bonds (distance) C4'-P energy: -4.328
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -8.057
flat angles P-C4'-P energy: -1.181
tors. eta vs tors. theta energy: 3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 6
Temperature: 2.466667
Total energy: -37.448365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.448365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.448365 (E_RNA)
where:
Base-Base interactions energy: -6.985
where: short stacking energy: -5.174
Base-Backbone interact. energy: -0.093
local terms energy: -30.370442
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: 6.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 2.483333
Total energy: -31.349168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.349168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.349168 (E_RNA)
where:
Base-Base interactions energy: -8.571
where: short stacking energy: -8.571
Base-Backbone interact. energy: 1.912
local terms energy: -24.690872
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -3.410
flat angles P-C4'-P energy: 0.767
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: 10, replica: 6
=====================================
Write number: 6
Temperature: 2.500000
Total energy: -31.686672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.686672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.686672 (E_RNA)
where:
Base-Base interactions energy: -4.144
where: short stacking energy: -4.010
Base-Backbone interact. energy: -0.280
local terms energy: -27.262854
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -9.938
flat angles C4'-P-C4' energy: -1.834
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: 9.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 2.350000
Total energy: -37.115738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.115738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.115738 (E_RNA)
where:
Base-Base interactions energy: -2.117
where: short stacking energy: -2.117
Base-Backbone interact. energy: 1.667
local terms energy: -36.665580
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: 0.122
tors. eta vs tors. theta energy: -1.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 7
Temperature: 2.366667
Total energy: -43.409423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.409423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.409423 (E_RNA)
where:
Base-Base interactions energy: -0.664
where: short stacking energy: -0.664
Base-Backbone interact. energy: -0.113
local terms energy: -42.632953
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: 5.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 2.383333
Total energy: -35.004351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.004351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.004351 (E_RNA)
where:
Base-Base interactions energy: -9.033
where: short stacking energy: -9.166
Base-Backbone interact. energy: 2.656
local terms energy: -28.628120
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -9.319
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: 9.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 7
Temperature: 2.400000
Total energy: -33.706967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.706967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.706967 (E_RNA)
where:
Base-Base interactions energy: -8.525
where: short stacking energy: -6.506
Base-Backbone interact. energy: -1.674
local terms energy: -23.508099
where:
bonds (distance) C4'-P energy: -6.154
bonds (distance) P-C4' energy: -7.998
flat angles C4'-P-C4' energy: -5.252
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: 6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 7
Temperature: 2.416667
Total energy: -38.960417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.960417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.960417 (E_RNA)
where:
Base-Base interactions energy: -4.138
where: short stacking energy: -3.303
Base-Backbone interact. energy: -0.461
local terms energy: -34.361666
where:
bonds (distance) C4'-P energy: -8.859
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: 8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 2.433333
Total energy: -32.269293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.269293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.269293 (E_RNA)
where:
Base-Base interactions energy: -7.250
where: short stacking energy: -2.723
Base-Backbone interact. energy: -0.480
local terms energy: -24.538692
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -7.267
flat angles P-C4'-P energy: -3.694
tors. eta vs tors. theta energy: 10.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 7
Temperature: 2.450000
Total energy: -34.193350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.193350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.193350 (E_RNA)
where:
Base-Base interactions energy: -2.502
where: short stacking energy: -2.502
Base-Backbone interact. energy: -0.185
local terms energy: -31.506214
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -9.324
flat angles P-C4'-P energy: -3.108
tors. eta vs tors. theta energy: 7.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 2.466667
Total energy: -36.305372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.305372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.305372 (E_RNA)
where:
Base-Base interactions energy: -4.702
where: short stacking energy: -2.064
Base-Backbone interact. energy: -0.312
local terms energy: -31.291513
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -7.891
flat angles P-C4'-P energy: -4.916
tors. eta vs tors. theta energy: 8.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 7
Temperature: 2.483333
Total energy: -34.398213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.398213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.398213 (E_RNA)
where:
Base-Base interactions energy: -5.420
where: short stacking energy: -4.776
Base-Backbone interact. energy: -0.294
local terms energy: -28.683537
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -3.254
tors. eta vs tors. theta energy: 10.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 2.500000
Total energy: -36.224016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.224016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.224016 (E_RNA)
where:
Base-Base interactions energy: -3.258
where: short stacking energy: -2.757
Base-Backbone interact. energy: 1.535
local terms energy: -34.500884
where:
bonds (distance) C4'-P energy: -2.443
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -7.849
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: 1, replica: 7
=====================================
Write number: 8
Temperature: 2.350000
Total energy: -39.030469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.030469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.030469 (E_RNA)
where:
Base-Base interactions energy: -6.562
where: short stacking energy: -4.030
Base-Backbone interact. energy: -0.164
local terms energy: -32.304434
where:
bonds (distance) C4'-P energy: -6.871
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -5.478
flat angles P-C4'-P energy: -4.904
tors. eta vs tors. theta energy: 3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 2.366667
Total energy: -38.104371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.104371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.104371 (E_RNA)
where:
Base-Base interactions energy: -4.809
where: short stacking energy: -4.809
Base-Backbone interact. energy: 3.695
local terms energy: -36.990621
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: 8.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 8
Temperature: 2.383333
Total energy: -35.657453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.657453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.657453 (E_RNA)
where:
Base-Base interactions energy: -9.030
where: short stacking energy: -6.780
Base-Backbone interact. energy: -0.400
local terms energy: -26.226979
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -7.015
flat angles P-C4'-P energy: -3.055
tors. eta vs tors. theta energy: 5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 2.400000
Total energy: -37.212377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.212377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.212377 (E_RNA)
where:
Base-Base interactions energy: -13.874
where: short stacking energy: -10.372
Base-Backbone interact. energy: 1.885
local terms energy: -25.223919
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -1.594
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: 7.515
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: 10
=====================================
Write number: 8
Temperature: 2.416667
Total energy: -40.703561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.703561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.703561 (E_RNA)
where:
Base-Base interactions energy: -7.152
where: short stacking energy: -7.152
Base-Backbone interact. energy: 0.318
local terms energy: -33.869414
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -10.156
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -2.461
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: 6, replica: 1
=====================================
Write number: 8
Temperature: 2.433333
Total energy: -39.536165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.536165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.536165 (E_RNA)
where:
Base-Base interactions energy: -7.308
where: short stacking energy: -4.598
Base-Backbone interact. energy: -0.087
local terms energy: -32.141945
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -8.755
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: 7.501
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: 8
=====================================
Write number: 8
Temperature: 2.450000
Total energy: -39.683125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.683125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.683125 (E_RNA)
where:
Base-Base interactions energy: -4.798
where: short stacking energy: -3.999
Base-Backbone interact. energy: -0.310
local terms energy: -34.575113
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -5.996
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: 12.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 8
Temperature: 2.466667
Total energy: -37.849767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.849767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.849767 (E_RNA)
where:
Base-Base interactions energy: -8.850
where: short stacking energy: -8.034
Base-Backbone interact. energy: -0.074
local terms energy: -28.926512
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -6.702
flat angles P-C4'-P energy: -1.671
tors. eta vs tors. theta energy: 9.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 2.483333
Total energy: -37.372174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.372174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.372174 (E_RNA)
where:
Base-Base interactions energy: -3.428
where: short stacking energy: -0.763
Base-Backbone interact. energy: -0.588
local terms energy: -33.355910
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -6.168
flat angles P-C4'-P energy: -5.477
tors. eta vs tors. theta energy: 8.238
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: 10, replica: 4
=====================================
Write number: 8
Temperature: 2.500000
Total energy: -34.519159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.519159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.519159 (E_RNA)
where:
Base-Base interactions energy: -6.037
where: short stacking energy: -4.443
Base-Backbone interact. energy: 0.361
local terms energy: -28.843811
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -8.353
flat angles C4'-P-C4' energy: -7.998
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: 10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 9
Temperature: 2.350000
Total energy: -46.342502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.342502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.342502 (E_RNA)
where:
Base-Base interactions energy: -12.048
where: short stacking energy: -11.072
Base-Backbone interact. energy: -0.654
local terms energy: -33.640669
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -10.257
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: 3.002
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: 9
=====================================
Write number: 9
Temperature: 2.366667
Total energy: -41.763235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.763235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.763235 (E_RNA)
where:
Base-Base interactions energy: -4.264
where: short stacking energy: -4.144
Base-Backbone interact. energy: -0.396
local terms energy: -37.103730
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -7.647
flat angles C4'-P-C4' energy: -9.861
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: 5.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 2.383333
Total energy: -38.070909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.070909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.070909 (E_RNA)
where:
Base-Base interactions energy: -10.123
where: short stacking energy: -8.601
Base-Backbone interact. energy: -0.073
local terms energy: -27.875650
where:
bonds (distance) C4'-P energy: -8.767
bonds (distance) P-C4' energy: -8.784
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: 8.870
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: 10
=====================================
Write number: 9
Temperature: 2.400000
Total energy: -38.390918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.390918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.390918 (E_RNA)
where:
Base-Base interactions energy: -1.393
where: short stacking energy: -1.393
Base-Backbone interact. energy: -1.154
local terms energy: -35.843175
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: 1.601
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: 3
=====================================
Write number: 9
Temperature: 2.416667
Total energy: -34.277896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.277896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.277896 (E_RNA)
where:
Base-Base interactions energy: -6.095
where: short stacking energy: -5.099
Base-Backbone interact. energy: -0.208
local terms energy: -27.975012
where:
bonds (distance) C4'-P energy: -3.552
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: -6.354
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: 6, replica: 8
=====================================
Write number: 9
Temperature: 2.433333
Total energy: -38.019388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.019388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.019388 (E_RNA)
where:
Base-Base interactions energy: -3.851
where: short stacking energy: -4.551
Base-Backbone interact. energy: 0.278
local terms energy: -34.446262
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -10.741
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: 8.173
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: 1
=====================================
Write number: 9
Temperature: 2.450000
Total energy: -46.837440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.837440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.837440 (E_RNA)
where:
Base-Base interactions energy: -12.745
where: short stacking energy: -8.345
Base-Backbone interact. energy: -0.301
local terms energy: -33.791465
where:
bonds (distance) C4'-P energy: -8.640
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -4.819
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: 6.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 2.466667
Total energy: -36.517549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.517549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.517549 (E_RNA)
where:
Base-Base interactions energy: -1.294
where: short stacking energy: -1.294
Base-Backbone interact. energy: -0.158
local terms energy: -35.065210
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -6.275
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: 8.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 9
Temperature: 2.483333
Total energy: -36.651554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.651554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.651554 (E_RNA)
where:
Base-Base interactions energy: -5.327
where: short stacking energy: -4.754
Base-Backbone interact. energy: 0.589
local terms energy: -31.913812
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -7.616
flat angles P-C4'-P energy: -1.344
tors. eta vs tors. theta energy: 9.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 9
Temperature: 2.500000
Total energy: -34.919487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.919487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.919487 (E_RNA)
where:
Base-Base interactions energy: -5.677
where: short stacking energy: -5.493
Base-Backbone interact. energy: -0.225
local terms energy: -29.017091
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -7.139
flat angles P-C4'-P energy: -1.640
tors. eta vs tors. theta energy: 6.343
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: 10
Temperature: 2.350000
Total energy: -39.087499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.087499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.087499 (E_RNA)
where:
Base-Base interactions energy: -6.674
where: short stacking energy: -6.607
Base-Backbone interact. energy: -0.346
local terms energy: -32.068087
where:
bonds (distance) C4'-P energy: -7.670
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: 7.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 10
Temperature: 2.366667
Total energy: -35.906742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.906742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.906742 (E_RNA)
where:
Base-Base interactions energy: -5.835
where: short stacking energy: -1.443
Base-Backbone interact. energy: -0.489
local terms energy: -29.583102
where:
bonds (distance) C4'-P energy: -6.332
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -7.637
flat angles P-C4'-P energy: -4.038
tors. eta vs tors. theta energy: 8.346
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: 3, replica: 10
=====================================
Write number: 10
Temperature: 2.383333
Total energy: -51.709713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.709713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.709713 (E_RNA)
where:
Base-Base interactions energy: -11.088
where: short stacking energy: -11.088
Base-Backbone interact. energy: -0.038
local terms energy: -40.584432
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 2.400000
Total energy: -36.150769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.150769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.150769 (E_RNA)
where:
Base-Base interactions energy: -7.087
where: short stacking energy: -4.521
Base-Backbone interact. energy: 1.859
local terms energy: -30.922015
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -7.421
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: 10.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 10
Temperature: 2.416667
Total energy: -32.102000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.102000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.102000 (E_RNA)
where:
Base-Base interactions energy: -6.403
where: short stacking energy: -4.335
Base-Backbone interact. energy: -1.054
local terms energy: -24.644960
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -9.449
flat angles C4'-P-C4' energy: -6.548
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: 10.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 10
Temperature: 2.433333
Total energy: -34.008649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.008649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.008649 (E_RNA)
where:
Base-Base interactions energy: -0.885
where: short stacking energy: -0.885
Base-Backbone interact. energy: -0.142
local terms energy: -32.982548
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: 8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 2.450000
Total energy: -36.847115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.847115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.847115 (E_RNA)
where:
Base-Base interactions energy: -6.031
where: short stacking energy: -4.981
Base-Backbone interact. energy: -0.902
local terms energy: -29.914341
where:
bonds (distance) C4'-P energy: -5.869
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -2.601
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: 8, replica: 1
=====================================
Write number: 10
Temperature: 2.466667
Total energy: -34.377834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.377834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.377834 (E_RNA)
where:
Base-Base interactions energy: -11.743
where: short stacking energy: -8.970
Base-Backbone interact. energy: 0.227
local terms energy: -22.861363
where:
bonds (distance) C4'-P energy: -3.933
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -2.265
tors. eta vs tors. theta energy: 5.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 10
Temperature: 2.483333
Total energy: -35.970606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.970606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.970606 (E_RNA)
where:
Base-Base interactions energy: -2.691
where: short stacking energy: -2.686
Base-Backbone interact. energy: 1.739
local terms energy: -35.018169
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -3.135
tors. eta vs tors. theta energy: 11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 10
Temperature: 2.500000
Total energy: -33.947320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.947320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.947320 (E_RNA)
where:
Base-Base interactions energy: -4.811
where: short stacking energy: -2.513
Base-Backbone interact. energy: -0.252
local terms energy: -28.884157
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -4.602
flat angles P-C4'-P energy: -2.206
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: 1, replica: 9
=====================================
Write number: 11
Temperature: 2.350000
Total energy: -40.211535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.211535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.211535 (E_RNA)
where:
Base-Base interactions energy: -5.013
where: short stacking energy: -5.013
Base-Backbone interact. energy: -0.303
local terms energy: -34.895791
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -8.006
flat angles P-C4'-P energy: -2.662
tors. eta vs tors. theta energy: 6.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 11
Temperature: 2.366667
Total energy: -40.984652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.984652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.984652 (E_RNA)
where:
Base-Base interactions energy: -11.728
where: short stacking energy: -9.316
Base-Backbone interact. energy: 3.099
local terms energy: -32.355980
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -11.351
flat angles C4'-P-C4' energy: -6.328
flat angles P-C4'-P energy: -5.298
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: 3, replica: 7
=====================================
Write number: 11
Temperature: 2.383333
Total energy: -35.360822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.360822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.360822 (E_RNA)
where:
Base-Base interactions energy: -5.276
where: short stacking energy: -5.202
Base-Backbone interact. energy: -0.233
local terms energy: -29.851785
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -2.844
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: 8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 11
Temperature: 2.400000
Total energy: -37.772698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.772698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.772698 (E_RNA)
where:
Base-Base interactions energy: -8.343
where: short stacking energy: -7.195
Base-Backbone interact. energy: -0.224
local terms energy: -29.205558
where:
bonds (distance) C4'-P energy: -6.075
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -9.949
flat angles P-C4'-P energy: -2.094
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: 5
=====================================
Write number: 11
Temperature: 2.416667
Total energy: -34.652452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.652452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.652452 (E_RNA)
where:
Base-Base interactions energy: -5.036
where: short stacking energy: -5.036
Base-Backbone interact. energy: 0.579
local terms energy: -30.195457
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -10.589
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: 6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 2.433333
Total energy: -33.811981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.811981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.811981 (E_RNA)
where:
Base-Base interactions energy: 0.075
where: short stacking energy: 0.075
Base-Backbone interact. energy: -0.490
local terms energy: -33.396944
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: 9.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 11
Temperature: 2.450000
Total energy: -39.348434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.348434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.348434 (E_RNA)
where:
Base-Base interactions energy: -3.733
where: short stacking energy: -3.453
Base-Backbone interact. energy: -0.148
local terms energy: -35.467602
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -4.724
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: 8.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 11
Temperature: 2.466667
Total energy: -34.269245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.269245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.269245 (E_RNA)
where:
Base-Base interactions energy: -7.732
where: short stacking energy: -5.436
Base-Backbone interact. energy: -0.402
local terms energy: -26.134887
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -5.713
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -5.352
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: 9, replica: 1
=====================================
Write number: 11
Temperature: 2.483333
Total energy: -33.335278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.335278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.335278 (E_RNA)
where:
Base-Base interactions energy: -2.207
where: short stacking energy: -1.712
Base-Backbone interact. energy: -0.528
local terms energy: -30.600534
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -10.125
flat angles P-C4'-P energy: -2.217
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: 10, replica: 2
=====================================
Write number: 11
Temperature: 2.500000
Total energy: -36.172185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.172185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.172185 (E_RNA)
where:
Base-Base interactions energy: -8.771
where: short stacking energy: -8.196
Base-Backbone interact. energy: -0.339
local terms energy: -27.062081
where:
bonds (distance) C4'-P energy: -7.379
bonds (distance) P-C4' energy: -8.888
flat angles C4'-P-C4' energy: -3.577
flat angles P-C4'-P energy: -6.232
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: 1, replica: 10
=====================================
Write number: 12
Temperature: 2.350000
Total energy: -40.264634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.264634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.264634 (E_RNA)
where:
Base-Base interactions energy: -7.696
where: short stacking energy: -7.181
Base-Backbone interact. energy: -0.173
local terms energy: -32.395753
where:
bonds (distance) C4'-P energy: -6.286
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -2.535
tors. eta vs tors. theta energy: 4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 12
Temperature: 2.366667
Total energy: -46.515294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.515294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.515294 (E_RNA)
where:
Base-Base interactions energy: -8.129
where: short stacking energy: -7.104
Base-Backbone interact. energy: -0.647
local terms energy: -37.738925
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -2.770
tors. eta vs tors. theta energy: 5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 12
Temperature: 2.383333
Total energy: -42.780259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.780259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.780259 (E_RNA)
where:
Base-Base interactions energy: -4.087
where: short stacking energy: -4.087
Base-Backbone interact. energy: 1.755
local terms energy: -40.448875
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -9.646
flat angles P-C4'-P energy: -3.444
tors. eta vs tors. theta energy: 8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 12
Temperature: 2.400000
Total energy: -45.268663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.268663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.268663 (E_RNA)
where:
Base-Base interactions energy: -17.179
where: short stacking energy: -12.589
Base-Backbone interact. energy: 0.495
local terms energy: -28.584430
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -5.663
flat angles C4'-P-C4' energy: -8.538
flat angles P-C4'-P energy: -3.185
tors. eta vs tors. theta energy: 1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 2.416667
Total energy: -35.813871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.813871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.813871 (E_RNA)
where:
Base-Base interactions energy: -6.342
where: short stacking energy: -5.533
Base-Backbone interact. energy: -0.295
local terms energy: -29.177183
where:
bonds (distance) C4'-P energy: -8.047
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -4.128
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: 6, replica: 5
=====================================
Write number: 12
Temperature: 2.433333
Total energy: -40.984322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.984322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.984322 (E_RNA)
where:
Base-Base interactions energy: -9.111
where: short stacking energy: -8.798
Base-Backbone interact. energy: -0.692
local terms energy: -31.181558
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -3.295
flat angles P-C4'-P energy: -2.781
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: 7, replica: 4
=====================================
Write number: 12
Temperature: 2.450000
Total energy: -42.285267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.285267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.285267 (E_RNA)
where:
Base-Base interactions energy: -2.691
where: short stacking energy: -2.691
Base-Backbone interact. energy: -0.749
local terms energy: -38.845499
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -3.523
tors. eta vs tors. theta energy: 7.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 12
Temperature: 2.466667
Total energy: -39.997764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.997764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.997764 (E_RNA)
where:
Base-Base interactions energy: -8.879
where: short stacking energy: -8.771
Base-Backbone interact. energy: 0.673
local terms energy: -31.792660
where:
bonds (distance) C4'-P energy: -3.521
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -2.966
tors. eta vs tors. theta energy: 3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 12
Temperature: 2.483333
Total energy: -30.304842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.304842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.304842 (E_RNA)
where:
Base-Base interactions energy: -7.379
where: short stacking energy: -7.379
Base-Backbone interact. energy: -0.113
local terms energy: -22.813272
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -1.845
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: 6.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 12
Temperature: 2.500000
Total energy: -45.912805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.912805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.912805 (E_RNA)
where:
Base-Base interactions energy: -8.870
where: short stacking energy: -7.234
Base-Backbone interact. energy: -0.226
local terms energy: -36.817176
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -9.654
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -3.577
tors. eta vs tors. theta energy: 8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 13
Temperature: 2.350000
Total energy: -35.425475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.425475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.425475 (E_RNA)
where:
Base-Base interactions energy: -3.572
where: short stacking energy: -3.572
Base-Backbone interact. energy: -0.330
local terms energy: -31.522861
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -9.617
flat angles C4'-P-C4' energy: -7.720
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: 6.694
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: 8
=====================================
Write number: 13
Temperature: 2.366667
Total energy: -54.017188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.017188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.017188 (E_RNA)
where:
Base-Base interactions energy: -18.571
where: short stacking energy: -17.658
Base-Backbone interact. energy: -0.228
local terms energy: -35.218002
where:
bonds (distance) C4'-P energy: -7.202
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -9.864
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: 3, replica: 9
=====================================
Write number: 13
Temperature: 2.383333
Total energy: -42.697983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.697983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.697983 (E_RNA)
where:
Base-Base interactions energy: -6.479
where: short stacking energy: -3.651
Base-Backbone interact. energy: 0.652
local terms energy: -36.870802
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: 9.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 13
Temperature: 2.400000
Total energy: -37.187958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.187958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.187958 (E_RNA)
where:
Base-Base interactions energy: -6.417
where: short stacking energy: -6.469
Base-Backbone interact. energy: 0.972
local terms energy: -31.742922
where:
bonds (distance) C4'-P energy: -7.475
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -0.641
tors. eta vs tors. theta energy: 3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 13
Temperature: 2.416667
Total energy: -45.114568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.114568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.114568 (E_RNA)
where:
Base-Base interactions energy: -10.149
where: short stacking energy: -8.100
Base-Backbone interact. energy: -0.261
local terms energy: -34.705053
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -2.182
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: 6, replica: 4
=====================================
Write number: 13
Temperature: 2.433333
Total energy: -34.183444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.183444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.183444 (E_RNA)
where:
Base-Base interactions energy: -8.704
where: short stacking energy: -8.704
Base-Backbone interact. energy: -0.208
local terms energy: -25.270827
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: 0.695
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: 11.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 2.450000
Total energy: -36.659474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.659474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.659474 (E_RNA)
where:
Base-Base interactions energy: -3.103
where: short stacking energy: -2.558
Base-Backbone interact. energy: -1.115
local terms energy: -32.441265
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -9.782
flat angles C4'-P-C4' energy: -5.485
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: 8.025
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: 2
=====================================
Write number: 13
Temperature: 2.466667
Total energy: -32.270153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.270153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.270153 (E_RNA)
where:
Base-Base interactions energy: -6.118
where: short stacking energy: -6.411
Base-Backbone interact. energy: 0.627
local terms energy: -26.779024
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -7.035
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: 9.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 13
Temperature: 2.483333
Total energy: -39.736414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.736414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.736414 (E_RNA)
where:
Base-Base interactions energy: -9.952
where: short stacking energy: -9.952
Base-Backbone interact. energy: -0.238
local terms energy: -29.546531
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -5.361
flat angles P-C4'-P energy: -1.979
tors. eta vs tors. theta energy: 3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 13
Temperature: 2.500000
Total energy: -36.622168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.622168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.622168 (E_RNA)
where:
Base-Base interactions energy: -9.394
where: short stacking energy: -7.326
Base-Backbone interact. energy: -0.150
local terms energy: -27.077310
where:
bonds (distance) C4'-P energy: -6.349
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: -3.148
tors. eta vs tors. theta energy: 5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 14
Temperature: 2.350000
Total energy: -37.153272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.153272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.153272 (E_RNA)
where:
Base-Base interactions energy: -4.727
where: short stacking energy: -4.278
Base-Backbone interact. energy: -0.303
local terms energy: -32.123794
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: 2.365
tors. eta vs tors. theta energy: 6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 14
Temperature: 2.366667
Total energy: -36.468889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.468889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.468889 (E_RNA)
where:
Base-Base interactions energy: -7.221
where: short stacking energy: -6.963
Base-Backbone interact. energy: -0.360
local terms energy: -28.888299
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: 0.219
flat angles P-C4'-P energy: -7.347
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: 3, replica: 6
=====================================
Write number: 14
Temperature: 2.383333
Total energy: -38.097804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.097804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.097804 (E_RNA)
where:
Base-Base interactions energy: -12.549
where: short stacking energy: -3.404
Base-Backbone interact. energy: 5.419
local terms energy: -30.968052
where:
bonds (distance) C4'-P energy: -7.123
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: 10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 14
Temperature: 2.400000
Total energy: -33.795241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.795241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.795241 (E_RNA)
where:
Base-Base interactions energy: -4.064
where: short stacking energy: -2.236
Base-Backbone interact. energy: -0.323
local terms energy: -29.407762
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -8.932
flat angles P-C4'-P energy: -5.686
tors. eta vs tors. theta energy: 11.033
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: 4
=====================================
Write number: 14
Temperature: 2.416667
Total energy: -39.015603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.015603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.015603 (E_RNA)
where:
Base-Base interactions energy: -6.845
where: short stacking energy: -6.496
Base-Backbone interact. energy: 0.681
local terms energy: -32.851893
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: 1.602
tors. eta vs tors. theta energy: 6.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 14
Temperature: 2.433333
Total energy: -37.048772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.048772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.048772 (E_RNA)
where:
Base-Base interactions energy: -5.396
where: short stacking energy: -3.693
Base-Backbone interact. energy: -0.038
local terms energy: -31.614218
where:
bonds (distance) C4'-P energy: -2.222
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -2.425
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: 7, replica: 2
=====================================
Write number: 14
Temperature: 2.450000
Total energy: -37.916835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.916835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.916835 (E_RNA)
where:
Base-Base interactions energy: -7.246
where: short stacking energy: -5.144
Base-Backbone interact. energy: -0.438
local terms energy: -30.232344
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -8.038
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: 7.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 14
Temperature: 2.466667
Total energy: -33.737196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.737196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.737196 (E_RNA)
where:
Base-Base interactions energy: -2.590
where: short stacking energy: -1.999
Base-Backbone interact. energy: -0.122
local terms energy: -31.025399
where:
bonds (distance) C4'-P energy: -6.905
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -1.797
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: 9, replica: 1
=====================================
Write number: 14
Temperature: 2.483333
Total energy: -37.667671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.667671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.667671 (E_RNA)
where:
Base-Base interactions energy: -9.583
where: short stacking energy: -8.690
Base-Backbone interact. energy: -0.449
local terms energy: -27.636077
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -7.400
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: 9.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 14
Temperature: 2.500000
Total energy: -43.374953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.374953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.374953 (E_RNA)
where:
Base-Base interactions energy: -12.496
where: short stacking energy: -13.180
Base-Backbone interact. energy: -0.264
local terms energy: -30.614664
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -1.775
flat angles C4'-P-C4' energy: -8.059
flat angles P-C4'-P energy: -9.695
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: 8
=====================================
Write number: 15
Temperature: 2.350000
Total energy: -39.502305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.502305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.502305 (E_RNA)
where:
Base-Base interactions energy: -5.972
where: short stacking energy: -2.886
Base-Backbone interact. energy: -0.799
local terms energy: -32.730715
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -7.686
flat angles P-C4'-P energy: -6.496
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: 2, replica: 6
=====================================
Write number: 15
Temperature: 2.366667
Total energy: -37.989359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.989359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.989359 (E_RNA)
where:
Base-Base interactions energy: -4.733
where: short stacking energy: -5.733
Base-Backbone interact. energy: -0.319
local terms energy: -32.938081
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: 2.956
tors. eta vs tors. theta energy: 10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 15
Temperature: 2.383333
Total energy: -42.760729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.760729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.760729 (E_RNA)
where:
Base-Base interactions energy: -8.525
where: short stacking energy: -8.525
Base-Backbone interact. energy: -0.363
local terms energy: -33.872354
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -5.249
flat angles P-C4'-P energy: -8.569
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: 4, replica: 4
=====================================
Write number: 15
Temperature: 2.400000
Total energy: -34.630969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.630969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.630969 (E_RNA)
where:
Base-Base interactions energy: -10.305
where: short stacking energy: -6.184
Base-Backbone interact. energy: -0.134
local terms energy: -24.191686
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -4.833
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: 11.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 15
Temperature: 2.416667
Total energy: -37.541685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.541685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.541685 (E_RNA)
where:
Base-Base interactions energy: -7.053
where: short stacking energy: -6.700
Base-Backbone interact. energy: -0.027
local terms energy: -30.462217
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: 0.800
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: 6, replica: 2
=====================================
Write number: 15
Temperature: 2.433333
Total energy: -35.372521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.372521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.372521 (E_RNA)
where:
Base-Base interactions energy: -4.090
where: short stacking energy: -3.689
Base-Backbone interact. energy: -0.214
local terms energy: -31.068249
where:
bonds (distance) C4'-P energy: -9.493
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -7.467
flat angles P-C4'-P energy: -4.713
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: 7, replica: 7
=====================================
Write number: 15
Temperature: 2.450000
Total energy: -36.913856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.913856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.913856 (E_RNA)
where:
Base-Base interactions energy: -14.338
where: short stacking energy: -14.338
Base-Backbone interact. energy: -0.114
local terms energy: -22.461763
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -9.553
flat angles C4'-P-C4' energy: -9.747
flat angles P-C4'-P energy: 4.647
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: 8, replica: 1
=====================================
Write number: 15
Temperature: 2.466667
Total energy: -41.713219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.713219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.713219 (E_RNA)
where:
Base-Base interactions energy: -15.132
where: short stacking energy: -13.148
Base-Backbone interact. energy: -0.511
local terms energy: -26.069439
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -8.330
flat angles C4'-P-C4' energy: -7.169
flat angles P-C4'-P energy: -2.868
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: 9, replica: 5
=====================================
Write number: 15
Temperature: 2.483333
Total energy: -35.259932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.259932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.259932 (E_RNA)
where:
Base-Base interactions energy: -5.705
where: short stacking energy: -3.447
Base-Backbone interact. energy: -0.201
local terms energy: -29.354287
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -2.215
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: 10.427
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: 10, replica: 3
=====================================
Write number: 15
Temperature: 2.500000
Total energy: -36.517264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.517264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.517264 (E_RNA)
where:
Base-Base interactions energy: -4.205
where: short stacking energy: -3.507
Base-Backbone interact. energy: -0.434
local terms energy: -31.878372
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -5.499
flat angles P-C4'-P energy: -5.099
tors. eta vs tors. theta energy: 3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 16
Temperature: 2.350000
Total energy: -34.423217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.423217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.423217 (E_RNA)
where:
Base-Base interactions energy: -0.344
where: short stacking energy: -0.344
Base-Backbone interact. energy: -0.253
local terms energy: -33.825913
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: 11.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 16
Temperature: 2.366667
Total energy: -42.931397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.931397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.931397 (E_RNA)
where:
Base-Base interactions energy: -8.941
where: short stacking energy: -8.208
Base-Backbone interact. energy: -0.148
local terms energy: -33.842198
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -3.295
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: 3, replica: 4
=====================================
Write number: 16
Temperature: 2.383333
Total energy: -45.971182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.971182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.971182 (E_RNA)
where:
Base-Base interactions energy: -9.457
where: short stacking energy: -5.847
Base-Backbone interact. energy: -0.127
local terms energy: -36.387341
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -2.573
tors. eta vs tors. theta energy: 5.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 16
Temperature: 2.400000
Total energy: -40.392456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.392456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.392456 (E_RNA)
where:
Base-Base interactions energy: -11.398
where: short stacking energy: -9.937
Base-Backbone interact. energy: -0.545
local terms energy: -28.448966
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -8.877
flat angles C4'-P-C4' energy: -7.445
flat angles P-C4'-P energy: -5.072
tors. eta vs tors. theta energy: 8.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 16
Temperature: 2.416667
Total energy: -40.442016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.442016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.442016 (E_RNA)
where:
Base-Base interactions energy: -8.656
where: short stacking energy: -4.640
Base-Backbone interact. energy: -0.062
local terms energy: -31.723824
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -3.900
tors. eta vs tors. theta energy: 8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 16
Temperature: 2.433333
Total energy: -39.608307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.608307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.608307 (E_RNA)
where:
Base-Base interactions energy: -9.671
where: short stacking energy: -2.472
Base-Backbone interact. energy: -0.197
local terms energy: -29.740566
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -7.779
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: 9.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 16
Temperature: 2.450000
Total energy: -37.306487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.306487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.306487 (E_RNA)
where:
Base-Base interactions energy: -11.866
where: short stacking energy: -10.955
Base-Backbone interact. energy: -0.102
local terms energy: -25.338516
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -1.839
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: 4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 16
Temperature: 2.466667
Total energy: -33.610198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.610198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.610198 (E_RNA)
where:
Base-Base interactions energy: -1.531
where: short stacking energy: -0.274
Base-Backbone interact. energy: -0.726
local terms energy: -31.353375
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: 12.080
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: 16
Temperature: 2.483333
Total energy: -38.295901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.295901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.295901 (E_RNA)
where:
Base-Base interactions energy: -5.395
where: short stacking energy: -4.628
Base-Backbone interact. energy: -0.071
local terms energy: -32.830425
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: 0.439
tors. eta vs tors. theta energy: 2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 16
Temperature: 2.500000
Total energy: -39.977553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.977553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.977553 (E_RNA)
where:
Base-Base interactions energy: -11.895
where: short stacking energy: -8.898
Base-Backbone interact. energy: 5.696
local terms energy: -33.778504
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -4.060
tors. eta vs tors. theta energy: 9.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 17
Temperature: 2.350000
Total energy: -36.017179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.017179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.017179 (E_RNA)
where:
Base-Base interactions energy: -13.252
where: short stacking energy: -11.045
Base-Backbone interact. energy: -0.560
local terms energy: -22.205384
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -6.414
flat angles C4'-P-C4' energy: -2.378
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: 9.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 2.366667
Total energy: -43.332577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.332577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.332577 (E_RNA)
where:
Base-Base interactions energy: -9.891
where: short stacking energy: -6.420
Base-Backbone interact. energy: 0.728
local terms energy: -34.170344
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -8.222
flat angles P-C4'-P energy: -5.144
tors. eta vs tors. theta energy: 6.467
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: 3, replica: 8
=====================================
Write number: 17
Temperature: 2.383333
Total energy: -37.227046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.227046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.227046 (E_RNA)
where:
Base-Base interactions energy: -12.379
where: short stacking energy: -9.471
Base-Backbone interact. energy: -0.826
local terms energy: -24.022310
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -7.831
flat angles C4'-P-C4' energy: -6.697
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: 8.343
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: 4, replica: 2
=====================================
Write number: 17
Temperature: 2.400000
Total energy: -38.637120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.637120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.637120 (E_RNA)
where:
Base-Base interactions energy: -6.691
where: short stacking energy: -4.713
Base-Backbone interact. energy: -0.914
local terms energy: -31.032015
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: 1.302
tors. eta vs tors. theta energy: 5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 17
Temperature: 2.416667
Total energy: -33.409154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.409154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.409154 (E_RNA)
where:
Base-Base interactions energy: -2.795
where: short stacking energy: -1.674
Base-Backbone interact. energy: -0.297
local terms energy: -30.317327
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -8.413
flat angles P-C4'-P energy: 0.438
tors. eta vs tors. theta energy: 7.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 17
Temperature: 2.433333
Total energy: -32.257977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.257977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.257977 (E_RNA)
where:
Base-Base interactions energy: -7.663
where: short stacking energy: -7.400
Base-Backbone interact. energy: 0.137
local terms energy: -24.731546
where:
bonds (distance) C4'-P energy: -8.179
bonds (distance) P-C4' energy: -8.319
flat angles C4'-P-C4' energy: -8.972
flat angles P-C4'-P energy: -5.108
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: 7, replica: 9
=====================================
Write number: 17
Temperature: 2.450000
Total energy: -37.838014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.838014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.838014 (E_RNA)
where:
Base-Base interactions energy: -3.994
where: short stacking energy: -3.994
Base-Backbone interact. energy: -0.054
local terms energy: -33.790428
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -4.300
flat angles P-C4'-P energy: 0.559
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: 8, replica: 3
=====================================
Write number: 17
Temperature: 2.466667
Total energy: -35.495792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.495792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.495792 (E_RNA)
where:
Base-Base interactions energy: -6.548
where: short stacking energy: -4.053
Base-Backbone interact. energy: -0.500
local terms energy: -28.448295
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -7.447
flat angles P-C4'-P energy: -3.426
tors. eta vs tors. theta energy: 8.453
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: 9, replica: 7
=====================================
Write number: 17
Temperature: 2.483333
Total energy: -39.174850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.174850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.174850 (E_RNA)
where:
Base-Base interactions energy: -5.891
where: short stacking energy: -5.500
Base-Backbone interact. energy: -0.367
local terms energy: -32.916683
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -6.254
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: 5.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 17
Temperature: 2.500000
Total energy: -36.067358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.067358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.067358 (E_RNA)
where:
Base-Base interactions energy: -2.681
where: short stacking energy: -0.624
Base-Backbone interact. energy: -0.280
local terms energy: -33.106022
where:
bonds (distance) C4'-P energy: -10.532
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -4.028
tors. eta vs tors. theta energy: 10.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 18
Temperature: 2.350000
Total energy: -43.682801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.682801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.682801 (E_RNA)
where:
Base-Base interactions energy: -10.740
where: short stacking energy: -10.740
Base-Backbone interact. energy: -1.117
local terms energy: -31.826232
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -8.946
flat angles P-C4'-P energy: 1.538
tors. eta vs tors. theta energy: 6.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 18
Temperature: 2.366667
Total energy: -37.540919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.540919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.540919 (E_RNA)
where:
Base-Base interactions energy: -3.183
where: short stacking energy: -0.210
Base-Backbone interact. energy: -0.482
local terms energy: -33.876225
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -6.616
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: 14.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 18
Temperature: 2.383333
Total energy: -34.239017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.239017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.239017 (E_RNA)
where:
Base-Base interactions energy: -6.163
where: short stacking energy: -4.953
Base-Backbone interact. energy: 0.681
local terms energy: -28.757506
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -8.562
flat angles P-C4'-P energy: -4.994
tors. eta vs tors. theta energy: 11.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 2.400000
Total energy: -41.602015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.602015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.602015 (E_RNA)
where:
Base-Base interactions energy: -5.396
where: short stacking energy: -3.546
Base-Backbone interact. energy: -0.622
local terms energy: -35.583958
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -4.802
tors. eta vs tors. theta energy: 11.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 18
Temperature: 2.416667
Total energy: -43.291003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.291003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.291003 (E_RNA)
where:
Base-Base interactions energy: -10.371
where: short stacking energy: -10.066
Base-Backbone interact. energy: -0.477
local terms energy: -32.443055
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -2.644
tors. eta vs tors. theta energy: 8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 18
Temperature: 2.433333
Total energy: -37.108002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.108002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.108002 (E_RNA)
where:
Base-Base interactions energy: -10.758
where: short stacking energy: -8.167
Base-Backbone interact. energy: -0.364
local terms energy: -25.986844
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -4.744
flat angles P-C4'-P energy: -0.616
tors. eta vs tors. theta energy: 5.967
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: 3
=====================================
Write number: 18
Temperature: 2.450000
Total energy: -38.083598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.083598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.083598 (E_RNA)
where:
Base-Base interactions energy: 0.103
where: short stacking energy: 0.900
Base-Backbone interact. energy: -0.513
local terms energy: -37.673723
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: 9.907
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: 9
=====================================
Write number: 18
Temperature: 2.466667
Total energy: -36.566210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.566210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.566210 (E_RNA)
where:
Base-Base interactions energy: -6.763
where: short stacking energy: -6.088
Base-Backbone interact. energy: 2.540
local terms energy: -32.343704
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -10.625
flat angles P-C4'-P energy: 1.891
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: 9, replica: 5
=====================================
Write number: 18
Temperature: 2.483333
Total energy: -42.452262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.452262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.452262 (E_RNA)
where:
Base-Base interactions energy: -12.725
where: short stacking energy: -8.928
Base-Backbone interact. energy: -0.179
local terms energy: -29.548300
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -5.623
flat angles P-C4'-P energy: 0.130
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: 10, replica: 7
=====================================
Write number: 18
Temperature: 2.500000
Total energy: -31.816162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.816162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.816162 (E_RNA)
where:
Base-Base interactions energy: -6.139
where: short stacking energy: -6.139
Base-Backbone interact. energy: 0.897
local terms energy: -26.573910
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -9.619
flat angles C4'-P-C4' energy: -7.494
flat angles P-C4'-P energy: -1.854
tors. eta vs tors. theta energy: 8.238
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: 4
=====================================
Write number: 19
Temperature: 2.350000
Total energy: -37.368300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.368300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.368300 (E_RNA)
where:
Base-Base interactions energy: -11.182
where: short stacking energy: -9.981
Base-Backbone interact. energy: -0.170
local terms energy: -26.015744
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: 0.768
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: 2, replica: 8
=====================================
Write number: 19
Temperature: 2.366667
Total energy: -39.074826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.074826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.074826 (E_RNA)
where:
Base-Base interactions energy: -6.336
where: short stacking energy: -6.176
Base-Backbone interact. energy: -0.405
local terms energy: -32.333394
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -8.128
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: 9.747
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: 6
=====================================
Write number: 19
Temperature: 2.383333
Total energy: -37.270525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.270525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.270525 (E_RNA)
where:
Base-Base interactions energy: -12.015
where: short stacking energy: -11.745
Base-Backbone interact. energy: -0.451
local terms energy: -24.804526
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -5.206
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: 13.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 2.400000
Total energy: -34.886990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.886990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.886990 (E_RNA)
where:
Base-Base interactions energy: -2.275
where: short stacking energy: -0.587
Base-Backbone interact. energy: -0.599
local terms energy: -32.012672
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -3.394
tors. eta vs tors. theta energy: 9.200
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: 2
=====================================
Write number: 19
Temperature: 2.416667
Total energy: -35.534002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.534002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.534002 (E_RNA)
where:
Base-Base interactions energy: -6.884
where: short stacking energy: -3.750
Base-Backbone interact. energy: -0.195
local terms energy: -28.455508
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -3.312
tors. eta vs tors. theta energy: 7.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 19
Temperature: 2.433333
Total energy: -39.000982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.000982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.000982 (E_RNA)
where:
Base-Base interactions energy: -9.482
where: short stacking energy: -9.113
Base-Backbone interact. energy: 2.312
local terms energy: -31.831035
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -7.343
flat angles P-C4'-P energy: -1.865
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: 7, replica: 10
=====================================
Write number: 19
Temperature: 2.450000
Total energy: -40.107947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.107947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.107947 (E_RNA)
where:
Base-Base interactions energy: -0.685
where: short stacking energy: -0.685
Base-Backbone interact. energy: -0.350
local terms energy: -39.073739
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -1.359
tors. eta vs tors. theta energy: 9.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 19
Temperature: 2.466667
Total energy: -38.080125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.080125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.080125 (E_RNA)
where:
Base-Base interactions energy: -5.573
where: short stacking energy: -5.388
Base-Backbone interact. energy: 0.162
local terms energy: -32.669148
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -6.099
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: 9.509
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: 19
Temperature: 2.483333
Total energy: -35.215031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.215031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.215031 (E_RNA)
where:
Base-Base interactions energy: -8.136
where: short stacking energy: -7.474
Base-Backbone interact. energy: -0.325
local terms energy: -26.754269
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -8.493
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: 11.208
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: 7
=====================================
Write number: 19
Temperature: 2.500000
Total energy: -35.782149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.782149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.782149 (E_RNA)
where:
Base-Base interactions energy: -2.008
where: short stacking energy: -0.597
Base-Backbone interact. energy: -0.402
local terms energy: -33.371872
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: 12.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 20
Temperature: 2.350000
Total energy: -42.848256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.848256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.848256 (E_RNA)
where:
Base-Base interactions energy: -4.558
where: short stacking energy: -4.393
Base-Backbone interact. energy: -0.753
local terms energy: -37.537435
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -8.073
flat angles P-C4'-P energy: -6.846
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: 2, replica: 4
=====================================
Write number: 20
Temperature: 2.366667
Total energy: -36.128703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.128703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.128703 (E_RNA)
where:
Base-Base interactions energy: -0.497
where: short stacking energy: -1.531
Base-Backbone interact. energy: -0.225
local terms energy: -35.406667
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -7.397
flat angles P-C4'-P energy: -8.971
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: 3, replica: 1
=====================================
Write number: 20
Temperature: 2.383333
Total energy: -41.651119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.651119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.651119 (E_RNA)
where:
Base-Base interactions energy: -12.137
where: short stacking energy: -12.137
Base-Backbone interact. energy: -0.216
local terms energy: -29.297936
where:
bonds (distance) C4'-P energy: -5.943
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -8.545
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: 5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 20
Temperature: 2.400000
Total energy: -37.278678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.278678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.278678 (E_RNA)
where:
Base-Base interactions energy: -3.376
where: short stacking energy: -3.376
Base-Backbone interact. energy: -0.966
local terms energy: -32.935889
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -7.660
flat angles P-C4'-P energy: -0.587
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: 5, replica: 3
=====================================
Write number: 20
Temperature: 2.416667
Total energy: -41.342793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.342793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.342793 (E_RNA)
where:
Base-Base interactions energy: -8.596
where: short stacking energy: -7.833
Base-Backbone interact. energy: -0.520
local terms energy: -32.226816
where:
bonds (distance) C4'-P energy: -8.813
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: 2.850
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)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 2.433333
Total energy: -41.383251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.383251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.383251 (E_RNA)
where:
Base-Base interactions energy: -12.570
where: short stacking energy: -9.540
Base-Backbone interact. energy: 1.046
local terms energy: -29.859536
where:
bonds (distance) C4'-P energy: -6.457
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: 3.236
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: 5
=====================================
Write number: 20
Temperature: 2.450000
Total energy: -36.195293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.195293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.195293 (E_RNA)
where:
Base-Base interactions energy: -11.563
where: short stacking energy: -12.501
Base-Backbone interact. energy: 0.703
local terms energy: -25.335091
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -8.198
flat angles C4'-P-C4' energy: -8.866
flat angles P-C4'-P energy: -0.749
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: 8, replica: 10
=====================================
Write number: 20
Temperature: 2.466667
Total energy: -40.853892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.853892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.853892 (E_RNA)
where:
Base-Base interactions energy: -19.763
where: short stacking energy: -17.212
Base-Backbone interact. energy: -0.218
local terms energy: -20.872226
where:
bonds (distance) C4'-P energy: -8.407
bonds (distance) P-C4' energy: -6.815
flat angles C4'-P-C4' energy: -5.406
flat angles P-C4'-P energy: -1.306
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: 7
=====================================
Write number: 20
Temperature: 2.483333
Total energy: -34.545817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.545817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.545817 (E_RNA)
where:
Base-Base interactions energy: -7.234
where: short stacking energy: -6.353
Base-Backbone interact. energy: 1.733
local terms energy: -29.044662
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: 9.302
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 2.500000
Total energy: -35.487500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.487500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.487500 (E_RNA)
where:
Base-Base interactions energy: -11.028
where: short stacking energy: -9.915
Base-Backbone interact. energy: 2.160
local terms energy: -26.620305
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -3.664
flat angles C4'-P-C4' energy: -8.759
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: 4.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 21
Temperature: 2.350000
Total energy: -43.216328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.216328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.216328 (E_RNA)
where:
Base-Base interactions energy: -5.940
where: short stacking energy: -5.940
Base-Backbone interact. energy: -0.921
local terms energy: -36.355756
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -3.711
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: 2.988
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: 1
=====================================
Write number: 21
Temperature: 2.366667
Total energy: -42.527877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.527877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.527877 (E_RNA)
where:
Base-Base interactions energy: -2.619
where: short stacking energy: -1.448
Base-Backbone interact. energy: -0.135
local terms energy: -39.773573
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -4.792
tors. eta vs tors. theta energy: 7.928
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: 3, replica: 4
=====================================
Write number: 21
Temperature: 2.383333
Total energy: -36.419805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.419805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.419805 (E_RNA)
where:
Base-Base interactions energy: -9.973
where: short stacking energy: -6.223
Base-Backbone interact. energy: -0.217
local terms energy: -26.229841
where:
bonds (distance) C4'-P energy: -2.932
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -3.082
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: 4, replica: 3
=====================================
Write number: 21
Temperature: 2.400000
Total energy: -31.124294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.124294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.124294 (E_RNA)
where:
Base-Base interactions energy: -4.036
where: short stacking energy: -0.426
Base-Backbone interact. energy: -0.214
local terms energy: -26.874426
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -9.236
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: 13.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 21
Temperature: 2.416667
Total energy: -39.236808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.236808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.236808 (E_RNA)
where:
Base-Base interactions energy: -5.235
where: short stacking energy: -4.666
Base-Backbone interact. energy: -0.447
local terms energy: -33.554483
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: 12.291
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: 21
Temperature: 2.433333
Total energy: -35.525009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.525009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.525009 (E_RNA)
where:
Base-Base interactions energy: -12.724
where: short stacking energy: -11.627
Base-Backbone interact. energy: -0.304
local terms energy: -22.496919
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -8.112
flat angles C4'-P-C4' energy: -7.718
flat angles P-C4'-P energy: -1.309
tors. eta vs tors. theta energy: 6.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 21
Temperature: 2.450000
Total energy: -33.713212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.713212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.713212 (E_RNA)
where:
Base-Base interactions energy: -8.191
where: short stacking energy: -4.016
Base-Backbone interact. energy: 1.579
local terms energy: -27.101542
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -9.695
flat angles C4'-P-C4' energy: -4.974
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: 7.098
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: 8, replica: 7
=====================================
Write number: 21
Temperature: 2.466667
Total energy: -37.313652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.313652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.313652 (E_RNA)
where:
Base-Base interactions energy: -14.640
where: short stacking energy: -13.094
Base-Backbone interact. energy: 0.816
local terms energy: -23.489198
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -2.171
flat angles P-C4'-P energy: -1.471
tors. eta vs tors. theta energy: 8.201
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: 10
=====================================
Write number: 21
Temperature: 2.483333
Total energy: -41.241588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.241588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.241588 (E_RNA)
where:
Base-Base interactions energy: -17.191
where: short stacking energy: -17.191
Base-Backbone interact. energy: 0.996
local terms energy: -25.046308
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -8.558
flat angles C4'-P-C4' energy: -4.008
flat angles P-C4'-P energy: -1.918
tors. eta vs tors. theta energy: 3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 2.500000
Total energy: -33.351306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.351306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.351306 (E_RNA)
where:
Base-Base interactions energy: -4.306
where: short stacking energy: -1.635
Base-Backbone interact. energy: -0.344
local terms energy: -28.702244
where:
bonds (distance) C4'-P energy: -6.483
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -8.821
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: 7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 2.350000
Total energy: -32.976323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.976323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.976323 (E_RNA)
where:
Base-Base interactions energy: -4.907
where: short stacking energy: -3.893
Base-Backbone interact. energy: -0.983
local terms energy: -27.086669
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -5.186
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: 12.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 22
Temperature: 2.366667
Total energy: -45.762857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.762857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.762857 (E_RNA)
where:
Base-Base interactions energy: -10.065
where: short stacking energy: -8.283
Base-Backbone interact. energy: -0.144
local terms energy: -35.553723
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -2.791
tors. eta vs tors. theta energy: 9.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 2.383333
Total energy: -40.440808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.440808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.440808 (E_RNA)
where:
Base-Base interactions energy: -14.383
where: short stacking energy: -10.671
Base-Backbone interact. energy: 2.434
local terms energy: -28.491755
where:
bonds (distance) C4'-P energy: -8.175
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -6.742
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: 6.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 22
Temperature: 2.400000
Total energy: -36.918675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.918675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.918675 (E_RNA)
where:
Base-Base interactions energy: -7.927
where: short stacking energy: -7.861
Base-Backbone interact. energy: -0.264
local terms energy: -28.727594
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -8.431
flat angles P-C4'-P energy: -4.498
tors. eta vs tors. theta energy: 5.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 22
Temperature: 2.416667
Total energy: -39.410758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.410758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.410758 (E_RNA)
where:
Base-Base interactions energy: -7.182
where: short stacking energy: -8.882
Base-Backbone interact. energy: -0.471
local terms energy: -31.757125
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -3.206
tors. eta vs tors. theta energy: 10.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 22
Temperature: 2.433333
Total energy: -49.162013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.162013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.162013 (E_RNA)
where:
Base-Base interactions energy: -13.461
where: short stacking energy: -12.561
Base-Backbone interact. energy: -0.191
local terms energy: -35.510604
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -7.123
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -7.406
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: 7, replica: 7
=====================================
Write number: 22
Temperature: 2.450000
Total energy: -39.082470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.082470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.082470 (E_RNA)
where:
Base-Base interactions energy: -6.356
where: short stacking energy: -3.190
Base-Backbone interact. energy: 3.400
local terms energy: -36.127292
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -7.331
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: 10.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 22
Temperature: 2.466667
Total energy: -35.121003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.121003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.121003 (E_RNA)
where:
Base-Base interactions energy: -6.041
where: short stacking energy: -2.034
Base-Backbone interact. energy: 2.052
local terms energy: -31.131426
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -7.167
flat angles P-C4'-P energy: -0.178
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: 9, replica: 9
=====================================
Write number: 22
Temperature: 2.483333
Total energy: -34.075567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.075567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.075567 (E_RNA)
where:
Base-Base interactions energy: 0.051
where: short stacking energy: 0.201
Base-Backbone interact. energy: -0.410
local terms energy: -33.716332
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -7.346
flat angles P-C4'-P energy: -8.990
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: 10, replica: 10
=====================================
Write number: 22
Temperature: 2.500000
Total energy: -32.690442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.690442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.690442 (E_RNA)
where:
Base-Base interactions energy: -6.419
where: short stacking energy: -3.606
Base-Backbone interact. energy: 0.035
local terms energy: -26.306689
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: 11.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 2.350000
Total energy: -41.610112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.610112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.610112 (E_RNA)
where:
Base-Base interactions energy: -12.613
where: short stacking energy: -13.213
Base-Backbone interact. energy: 0.946
local terms energy: -29.942681
where:
bonds (distance) C4'-P energy: -5.662
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -3.956
flat angles P-C4'-P energy: -10.336
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: 2, replica: 3
=====================================
Write number: 23
Temperature: 2.366667
Total energy: -41.181957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.181957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.181957 (E_RNA)
where:
Base-Base interactions energy: -11.936
where: short stacking energy: -11.936
Base-Backbone interact. energy: -0.520
local terms energy: -28.726265
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -6.219
flat angles P-C4'-P energy: 1.490
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: 8
=====================================
Write number: 23
Temperature: 2.383333
Total energy: -34.601441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.601441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.601441 (E_RNA)
where:
Base-Base interactions energy: -6.462
where: short stacking energy: -6.148
Base-Backbone interact. energy: 0.694
local terms energy: -28.833166
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -8.904
flat angles C4'-P-C4' energy: -6.485
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: 8.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 23
Temperature: 2.400000
Total energy: -43.363375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.363375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.363375 (E_RNA)
where:
Base-Base interactions energy: -7.350
where: short stacking energy: -4.560
Base-Backbone interact. energy: -0.797
local terms energy: -35.216628
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -7.975
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: 8.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 23
Temperature: 2.416667
Total energy: -37.357976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.357976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.357976 (E_RNA)
where:
Base-Base interactions energy: -4.167
where: short stacking energy: -4.932
Base-Backbone interact. energy: 0.134
local terms energy: -33.325068
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: 0.120
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 23
Temperature: 2.433333
Total energy: -37.707853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.707853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.707853 (E_RNA)
where:
Base-Base interactions energy: -8.778
where: short stacking energy: -8.778
Base-Backbone interact. energy: 1.319
local terms energy: -30.249225
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -6.244
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: 7.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 2.450000
Total energy: -36.962505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.962505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.962505 (E_RNA)
where:
Base-Base interactions energy: -7.365
where: short stacking energy: -5.975
Base-Backbone interact. energy: -0.437
local terms energy: -29.160197
where:
bonds (distance) C4'-P energy: -7.347
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -8.360
flat angles P-C4'-P energy: -2.256
tors. eta vs tors. theta energy: 8.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 2.466667
Total energy: -46.412061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.412061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.412061 (E_RNA)
where:
Base-Base interactions energy: -15.591
where: short stacking energy: -15.591
Base-Backbone interact. energy: -0.098
local terms energy: -30.722454
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -8.210
flat angles P-C4'-P energy: 1.107
tors. eta vs tors. theta energy: 1.127
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: 2
=====================================
Write number: 23
Temperature: 2.483333
Total energy: -40.032944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.032944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.032944 (E_RNA)
where:
Base-Base interactions energy: -10.196
where: short stacking energy: -8.476
Base-Backbone interact. energy: -0.985
local terms energy: -28.852344
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -7.006
flat angles P-C4'-P energy: -3.455
tors. eta vs tors. theta energy: 6.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 2.500000
Total energy: -37.128212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.128212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.128212 (E_RNA)
where:
Base-Base interactions energy: -5.369
where: short stacking energy: -4.867
Base-Backbone interact. energy: 1.813
local terms energy: -33.572808
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -7.744
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: 10.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 2.350000
Total energy: -41.811090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.811090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.811090 (E_RNA)
where:
Base-Base interactions energy: -8.246
where: short stacking energy: -6.082
Base-Backbone interact. energy: -0.208
local terms energy: -33.357598
where:
bonds (distance) C4'-P energy: -8.446
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -4.538
tors. eta vs tors. theta energy: 8.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 2.366667
Total energy: -48.494382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.494382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.494382 (E_RNA)
where:
Base-Base interactions energy: -10.056
where: short stacking energy: -10.056
Base-Backbone interact. energy: -0.096
local terms energy: -38.341921
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -5.406
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: 2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 24
Temperature: 2.383333
Total energy: -37.883016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.883016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.883016 (E_RNA)
where:
Base-Base interactions energy: -3.491
where: short stacking energy: -3.491
Base-Backbone interact. energy: -0.506
local terms energy: -33.886127
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: 6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 24
Temperature: 2.400000
Total energy: -41.360449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.360449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.360449 (E_RNA)
where:
Base-Base interactions energy: -11.611
where: short stacking energy: -11.730
Base-Backbone interact. energy: 1.598
local terms energy: -31.346994
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -10.204
flat angles C4'-P-C4' energy: -7.297
flat angles P-C4'-P energy: -8.759
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: 5, replica: 7
=====================================
Write number: 24
Temperature: 2.416667
Total energy: -35.451614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.451614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.451614 (E_RNA)
where:
Base-Base interactions energy: -6.408
where: short stacking energy: -5.840
Base-Backbone interact. energy: -0.226
local terms energy: -28.818069
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -7.813
flat angles P-C4'-P energy: -3.756
tors. eta vs tors. theta energy: 10.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 24
Temperature: 2.433333
Total energy: -34.607470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.607470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.607470 (E_RNA)
where:
Base-Base interactions energy: -3.114
where: short stacking energy: -0.571
Base-Backbone interact. energy: -0.324
local terms energy: -31.169340
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -9.046
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -4.569
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: 7, replica: 9
=====================================
Write number: 24
Temperature: 2.450000
Total energy: -34.989285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.989285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.989285 (E_RNA)
where:
Base-Base interactions energy: -6.671
where: short stacking energy: -6.671
Base-Backbone interact. energy: 0.790
local terms energy: -29.108764
where:
bonds (distance) C4'-P energy: -9.145
bonds (distance) P-C4' energy: -9.447
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -6.452
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: 8, replica: 6
=====================================
Write number: 24
Temperature: 2.466667
Total energy: -33.047396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.047396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.047396 (E_RNA)
where:
Base-Base interactions energy: -18.423
where: short stacking energy: -17.453
Base-Backbone interact. energy: 7.576
local terms energy: -22.199983
where:
bonds (distance) C4'-P energy: -8.741
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -6.859
flat angles P-C4'-P energy: -0.939
tors. eta vs tors. theta energy: 7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 2.483333
Total energy: -39.671556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.671556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.671556 (E_RNA)
where:
Base-Base interactions energy: -4.930
where: short stacking energy: -3.331
Base-Backbone interact. energy: -0.976
local terms energy: -33.765682
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -8.222
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: 12.031
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: 10, replica: 2
=====================================
Write number: 24
Temperature: 2.500000
Total energy: -36.954563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.954563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.954563 (E_RNA)
where:
Base-Base interactions energy: -3.865
where: short stacking energy: -2.681
Base-Backbone interact. energy: -0.230
local terms energy: -32.859604
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -9.608
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: 13.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 2.350000
Total energy: -43.648144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.648144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.648144 (E_RNA)
where:
Base-Base interactions energy: -6.299
where: short stacking energy: -6.196
Base-Backbone interact. energy: -0.600
local terms energy: -36.749269
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: 8.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 25
Temperature: 2.366667
Total energy: -36.701805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.701805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.701805 (E_RNA)
where:
Base-Base interactions energy: -9.771
where: short stacking energy: -9.771
Base-Backbone interact. energy: -0.153
local terms energy: -26.777179
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -2.774
flat angles P-C4'-P energy: -0.369
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: 3, replica: 1
=====================================
Write number: 25
Temperature: 2.383333
Total energy: -40.456037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.456037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.456037 (E_RNA)
where:
Base-Base interactions energy: -4.544
where: short stacking energy: -4.542
Base-Backbone interact. energy: -1.264
local terms energy: -34.648516
where:
bonds (distance) C4'-P energy: -8.265
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -4.371
tors. eta vs tors. theta energy: 9.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 25
Temperature: 2.400000
Total energy: -37.788445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.788445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.788445 (E_RNA)
where:
Base-Base interactions energy: -8.780
where: short stacking energy: -8.980
Base-Backbone interact. energy: -0.364
local terms energy: -28.644951
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -11.263
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: 2.747
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: 5, replica: 8
=====================================
Write number: 25
Temperature: 2.416667
Total energy: -39.638382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.638382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.638382 (E_RNA)
where:
Base-Base interactions energy: -4.651
where: short stacking energy: -4.651
Base-Backbone interact. energy: 1.411
local terms energy: -36.398840
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -1.868
tors. eta vs tors. theta energy: 9.399
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: 9
=====================================
Write number: 25
Temperature: 2.433333
Total energy: -37.764599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.764599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.764599 (E_RNA)
where:
Base-Base interactions energy: -5.735
where: short stacking energy: -2.054
Base-Backbone interact. energy: 1.103
local terms energy: -33.133185
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -8.268
flat angles P-C4'-P energy: -4.462
tors. eta vs tors. theta energy: 6.573
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: 7, replica: 4
=====================================
Write number: 25
Temperature: 2.450000
Total energy: -36.346863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.346863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.346863 (E_RNA)
where:
Base-Base interactions energy: -9.977
where: short stacking energy: -9.183
Base-Backbone interact. energy: -0.472
local terms energy: -25.897893
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -10.344
flat angles C4'-P-C4' energy: -3.826
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: 5.569
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: 10
=====================================
Write number: 25
Temperature: 2.466667
Total energy: -42.409091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.409091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.409091 (E_RNA)
where:
Base-Base interactions energy: -3.938
where: short stacking energy: -3.205
Base-Backbone interact. energy: 0.348
local terms energy: -38.818906
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: 2.275
tors. eta vs tors. theta energy: 1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 25
Temperature: 2.483333
Total energy: -33.483130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.483130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.483130 (E_RNA)
where:
Base-Base interactions energy: -1.212
where: short stacking energy: -1.160
Base-Backbone interact. energy: 0.032
local terms energy: -32.303180
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -2.053
tors. eta vs tors. theta energy: 9.208
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: 2
=====================================
Write number: 25
Temperature: 2.500000
Total energy: -34.734138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.734138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.734138 (E_RNA)
where:
Base-Base interactions energy: -11.623
where: short stacking energy: -11.312
Base-Backbone interact. energy: 1.047
local terms energy: -24.157835
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -9.164
flat angles C4'-P-C4' energy: 0.243
flat angles P-C4'-P energy: -3.735
tors. eta vs tors. theta energy: 1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 26
Temperature: 2.350000
Total energy: -42.515537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.515537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.515537 (E_RNA)
where:
Base-Base interactions energy: -5.473
where: short stacking energy: -4.958
Base-Backbone interact. energy: -0.421
local terms energy: -36.621478
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -3.534
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: 26
Temperature: 2.366667
Total energy: -46.888542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.888542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.888542 (E_RNA)
where:
Base-Base interactions energy: -3.509
where: short stacking energy: -3.509
Base-Backbone interact. energy: 0.317
local terms energy: -43.696437
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -7.021
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: 0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 26
Temperature: 2.383333
Total energy: -40.044427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.044427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.044427 (E_RNA)
where:
Base-Base interactions energy: -11.586
where: short stacking energy: -11.586
Base-Backbone interact. energy: 0.939
local terms energy: -29.396873
where:
bonds (distance) C4'-P energy: -3.149
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -9.932
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: 4, replica: 1
=====================================
Write number: 26
Temperature: 2.400000
Total energy: -38.307001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.307001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.307001 (E_RNA)
where:
Base-Base interactions energy: -8.336
where: short stacking energy: -7.051
Base-Backbone interact. energy: -1.085
local terms energy: -28.885807
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -7.770
flat angles P-C4'-P energy: 1.132
tors. eta vs tors. theta energy: 6.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 26
Temperature: 2.416667
Total energy: -40.768333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.768333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.768333 (E_RNA)
where:
Base-Base interactions energy: -12.133
where: short stacking energy: -9.331
Base-Backbone interact. energy: 3.410
local terms energy: -32.045410
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -7.139
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: 9.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 2.433333
Total energy: -41.370081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.370081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.370081 (E_RNA)
where:
Base-Base interactions energy: -3.501
where: short stacking energy: -2.612
Base-Backbone interact. energy: -0.373
local terms energy: -37.495601
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -8.236
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: 12.012
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: 10
=====================================
Write number: 26
Temperature: 2.450000
Total energy: -33.568399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.568399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.568399 (E_RNA)
where:
Base-Base interactions energy: -8.606
where: short stacking energy: -5.178
Base-Backbone interact. energy: 0.010
local terms energy: -24.972251
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: 7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 26
Temperature: 2.466667
Total energy: -37.404823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.404823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.404823 (E_RNA)
where:
Base-Base interactions energy: -4.471
where: short stacking energy: -2.059
Base-Backbone interact. energy: 2.081
local terms energy: -35.015176
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: 10.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 26
Temperature: 2.483333
Total energy: -36.012597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.012597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.012597 (E_RNA)
where:
Base-Base interactions energy: -13.530
where: short stacking energy: -9.627
Base-Backbone interact. energy: 1.461
local terms energy: -23.943395
where:
bonds (distance) C4'-P energy: -2.839
bonds (distance) P-C4' energy: -7.389
flat angles C4'-P-C4' energy: -7.208
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: 1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 2.500000
Total energy: -31.946695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.946695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.946695 (E_RNA)
where:
Base-Base interactions energy: -4.590
where: short stacking energy: -3.122
Base-Backbone interact. energy: -0.186
local terms energy: -27.170001
where:
bonds (distance) C4'-P energy: -6.151
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: 12.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 27
Temperature: 2.350000
Total energy: -39.725848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.725848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.725848 (E_RNA)
where:
Base-Base interactions energy: -8.287
where: short stacking energy: -8.287
Base-Backbone interact. energy: -0.595
local terms energy: -30.844126
where:
bonds (distance) C4'-P energy: -8.531
bonds (distance) P-C4' energy: -8.817
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: 7.321
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: 7
=====================================
Write number: 27
Temperature: 2.366667
Total energy: -42.561361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.561361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.561361 (E_RNA)
where:
Base-Base interactions energy: -7.378
where: short stacking energy: -6.847
Base-Backbone interact. energy: -0.311
local terms energy: -34.873021
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: 3.428
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: 3, replica: 3
=====================================
Write number: 27
Temperature: 2.383333
Total energy: -36.789618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.789618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.789618 (E_RNA)
where:
Base-Base interactions energy: -3.289
where: short stacking energy: -2.860
Base-Backbone interact. energy: -0.095
local terms energy: -33.405932
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: 8.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 27
Temperature: 2.400000
Total energy: -52.180425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.180425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.180425 (E_RNA)
where:
Base-Base interactions energy: -14.205
where: short stacking energy: -10.305
Base-Backbone interact. energy: -0.230
local terms energy: -37.744705
where:
bonds (distance) C4'-P energy: -4.545
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: 3.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 2.416667
Total energy: -43.781002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.781002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.781002 (E_RNA)
where:
Base-Base interactions energy: -7.742
where: short stacking energy: -6.942
Base-Backbone interact. energy: -0.237
local terms energy: -35.801607
where:
bonds (distance) C4'-P energy: -19.244
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -9.673
flat angles P-C4'-P energy: -2.952
tors. eta vs tors. theta energy: 8.181
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: 10
=====================================
Write number: 27
Temperature: 2.433333
Total energy: -36.217081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.217081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.217081 (E_RNA)
where:
Base-Base interactions energy: -8.591
where: short stacking energy: -8.091
Base-Backbone interact. energy: 1.346
local terms energy: -28.972535
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: 3.160
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: 4.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 27
Temperature: 2.450000
Total energy: -35.888557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.888557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.888557 (E_RNA)
where:
Base-Base interactions energy: -3.842
where: short stacking energy: -2.143
Base-Backbone interact. energy: 0.025
local terms energy: -32.071145
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -6.459
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: 11.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 27
Temperature: 2.466667
Total energy: -36.196812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.196812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.196812 (E_RNA)
where:
Base-Base interactions energy: -5.570
where: short stacking energy: -5.353
Base-Backbone interact. energy: 0.974
local terms energy: -31.601118
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -6.201
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -9.762
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: 9, replica: 4
=====================================
Write number: 27
Temperature: 2.483333
Total energy: -34.294193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.294193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.294193 (E_RNA)
where:
Base-Base interactions energy: -8.592
where: short stacking energy: -9.145
Base-Backbone interact. energy: 1.667
local terms energy: -27.368927
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -8.992
flat angles C4'-P-C4' energy: -6.983
flat angles P-C4'-P energy: -2.494
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: 10, replica: 6
=====================================
Write number: 27
Temperature: 2.500000
Total energy: -31.811378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.811378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.811378 (E_RNA)
where:
Base-Base interactions energy: -8.090
where: short stacking energy: -8.029
Base-Backbone interact. energy: 0.530
local terms energy: -24.251232
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -2.719
flat angles P-C4'-P energy: -3.557
tors. eta vs tors. theta energy: 8.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 28
Temperature: 2.350000
Total energy: -38.420762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.420762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.420762 (E_RNA)
where:
Base-Base interactions energy: -10.749
where: short stacking energy: -10.749
Base-Backbone interact. energy: -0.244
local terms energy: -27.427663
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -1.796
flat angles P-C4'-P energy: -3.826
tors. eta vs tors. theta energy: 3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 28
Temperature: 2.366667
Total energy: -38.749260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.749260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.749260 (E_RNA)
where:
Base-Base interactions energy: -7.693
where: short stacking energy: -5.296
Base-Backbone interact. energy: -0.210
local terms energy: -30.847068
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -2.456
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: 3, replica: 9
=====================================
Write number: 28
Temperature: 2.383333
Total energy: -36.093792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.093792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.093792 (E_RNA)
where:
Base-Base interactions energy: -1.660
where: short stacking energy: -0.872
Base-Backbone interact. energy: -0.554
local terms energy: -33.879829
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -2.625
flat angles P-C4'-P energy: -9.848
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: 4, replica: 3
=====================================
Write number: 28
Temperature: 2.400000
Total energy: -34.670104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.670104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.670104 (E_RNA)
where:
Base-Base interactions energy: -9.995
where: short stacking energy: -2.448
Base-Backbone interact. energy: -0.147
local terms energy: -24.528810
where:
bonds (distance) C4'-P energy: -8.746
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -8.715
flat angles P-C4'-P energy: -0.252
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: 5, replica: 10
=====================================
Write number: 28
Temperature: 2.416667
Total energy: -40.678902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.678902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.678902 (E_RNA)
where:
Base-Base interactions energy: -6.990
where: short stacking energy: -5.445
Base-Backbone interact. energy: -0.303
local terms energy: -33.386133
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -8.316
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: 6.816
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: 1
=====================================
Write number: 28
Temperature: 2.433333
Total energy: -37.356276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.356276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.356276 (E_RNA)
where:
Base-Base interactions energy: -7.131
where: short stacking energy: -7.131
Base-Backbone interact. energy: -0.165
local terms energy: -30.060461
where:
bonds (distance) C4'-P energy: -10.060
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -7.269
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: 7.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 2.450000
Total energy: -36.333596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.333596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.333596 (E_RNA)
where:
Base-Base interactions energy: -6.652
where: short stacking energy: -5.877
Base-Backbone interact. energy: 1.460
local terms energy: -31.141516
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -6.142
flat angles P-C4'-P energy: -3.049
tors. eta vs tors. theta energy: 3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 2.466667
Total energy: -37.408350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.408350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.408350 (E_RNA)
where:
Base-Base interactions energy: -18.068
where: short stacking energy: -16.444
Base-Backbone interact. energy: 0.142
local terms energy: -19.482314
where:
bonds (distance) C4'-P energy: -7.331
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -5.924
flat angles P-C4'-P energy: -0.581
tors. eta vs tors. theta energy: 8.256
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: 6
=====================================
Write number: 28
Temperature: 2.483333
Total energy: -40.638931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.638931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.638931 (E_RNA)
where:
Base-Base interactions energy: -14.282
where: short stacking energy: -14.282
Base-Backbone interact. energy: 4.904
local terms energy: -31.260960
where:
bonds (distance) C4'-P energy: -1.082
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: 5.125
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: 28
Temperature: 2.500000
Total energy: -37.372651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.372651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.372651 (E_RNA)
where:
Base-Base interactions energy: -0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.180
local terms energy: -37.192648
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -6.640
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: 8.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 29
Temperature: 2.350000
Total energy: -39.629934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.629934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.629934 (E_RNA)
where:
Base-Base interactions energy: -5.630
where: short stacking energy: -4.254
Base-Backbone interact. energy: -0.186
local terms energy: -33.814215
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -5.041
flat angles P-C4'-P energy: -0.419
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: 2, replica: 9
=====================================
Write number: 29
Temperature: 2.366667
Total energy: -38.166403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.166403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.166403 (E_RNA)
where:
Base-Base interactions energy: -12.803
where: short stacking energy: -10.688
Base-Backbone interact. energy: 2.991
local terms energy: -28.354515
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -2.819
tors. eta vs tors. theta energy: 8.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 29
Temperature: 2.383333
Total energy: -37.310607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.310607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.310607 (E_RNA)
where:
Base-Base interactions energy: -6.939
where: short stacking energy: -5.363
Base-Backbone interact. energy: -0.327
local terms energy: -30.045204
where:
bonds (distance) C4'-P energy: -7.355
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: 13.516
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: 10
=====================================
Write number: 29
Temperature: 2.400000
Total energy: -35.977508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.977508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.977508 (E_RNA)
where:
Base-Base interactions energy: -5.849
where: short stacking energy: -2.140
Base-Backbone interact. energy: 0.623
local terms energy: -30.751430
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: 11.694
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: 3
=====================================
Write number: 29
Temperature: 2.416667
Total energy: -36.691003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.691003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.691003 (E_RNA)
where:
Base-Base interactions energy: -6.954
where: short stacking energy: -7.534
Base-Backbone interact. energy: 0.126
local terms energy: -29.863503
where:
bonds (distance) C4'-P energy: -8.091
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -8.795
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: 7.058
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: 2
=====================================
Write number: 29
Temperature: 2.433333
Total energy: -38.706281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.706281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.706281 (E_RNA)
where:
Base-Base interactions energy: -6.606
where: short stacking energy: -5.736
Base-Backbone interact. energy: -1.201
local terms energy: -30.899119
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -4.264
flat angles P-C4'-P energy: -3.464
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: 7, replica: 1
=====================================
Write number: 29
Temperature: 2.450000
Total energy: -45.540913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.540913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.540913 (E_RNA)
where:
Base-Base interactions energy: -9.878
where: short stacking energy: 0.118
Base-Backbone interact. energy: -0.065
local terms energy: -35.598047
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: 0.762
tors. eta vs tors. theta energy: 8.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 29
Temperature: 2.466667
Total energy: -33.814836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.814836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.814836 (E_RNA)
where:
Base-Base interactions energy: -11.521
where: short stacking energy: -10.722
Base-Backbone interact. energy: 1.089
local terms energy: -23.383258
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -7.807
flat angles C4'-P-C4' energy: -7.829
flat angles P-C4'-P energy: -0.562
tors. eta vs tors. theta energy: 3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 2.483333
Total energy: -36.937050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.937050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.937050 (E_RNA)
where:
Base-Base interactions energy: -7.001
where: short stacking energy: -5.998
Base-Backbone interact. energy: -0.105
local terms energy: -29.830514
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -1.300
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: 11.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 29
Temperature: 2.500000
Total energy: -37.182845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.182845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.182845 (E_RNA)
where:
Base-Base interactions energy: -4.316
where: short stacking energy: -4.244
Base-Backbone interact. energy: -0.356
local terms energy: -32.510216
where:
bonds (distance) C4'-P energy: -7.736
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: 7.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 30
Temperature: 2.350000
Total energy: -38.210168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.210168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.210168 (E_RNA)
where:
Base-Base interactions energy: -6.461
where: short stacking energy: -3.428
Base-Backbone interact. energy: 2.455
local terms energy: -34.203852
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -7.044
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: 7
=====================================
Write number: 30
Temperature: 2.366667
Total energy: -43.828301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.828301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.828301 (E_RNA)
where:
Base-Base interactions energy: -13.049
where: short stacking energy: -5.774
Base-Backbone interact. energy: -0.236
local terms energy: -30.543392
where:
bonds (distance) C4'-P energy: -4.340
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -2.629
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: 1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 30
Temperature: 2.383333
Total energy: -36.022615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.022615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.022615 (E_RNA)
where:
Base-Base interactions energy: -9.032
where: short stacking energy: -3.723
Base-Backbone interact. energy: 4.622
local terms energy: -31.612889
where:
bonds (distance) C4'-P energy: -6.882
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -9.515
flat angles P-C4'-P energy: -1.619
tors. eta vs tors. theta energy: 2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 30
Temperature: 2.400000
Total energy: -34.465509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.465509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.465509 (E_RNA)
where:
Base-Base interactions energy: -8.842
where: short stacking energy: -6.801
Base-Backbone interact. energy: 0.084
local terms energy: -25.707817
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -3.655
flat angles P-C4'-P energy: -1.810
tors. eta vs tors. theta energy: 8.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 2.416667
Total energy: -41.613064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.613064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.613064 (E_RNA)
where:
Base-Base interactions energy: -9.722
where: short stacking energy: -8.566
Base-Backbone interact. energy: 0.005
local terms energy: -31.896002
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -7.585
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: 7.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 30
Temperature: 2.433333
Total energy: -37.025980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.025980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.025980 (E_RNA)
where:
Base-Base interactions energy: -13.342
where: short stacking energy: -10.723
Base-Backbone interact. energy: -0.316
local terms energy: -23.368808
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -4.648
flat angles P-C4'-P energy: -2.517
tors. eta vs tors. theta energy: 6.947
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: 6
=====================================
Write number: 30
Temperature: 2.450000
Total energy: -34.422741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.422741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.422741 (E_RNA)
where:
Base-Base interactions energy: -3.297
where: short stacking energy: -2.781
Base-Backbone interact. energy: -0.058
local terms energy: -31.067761
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -10.512
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: 8.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 2.466667
Total energy: -38.528328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.528328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.528328 (E_RNA)
where:
Base-Base interactions energy: -8.986
where: short stacking energy: -8.986
Base-Backbone interact. energy: 1.718
local terms energy: -31.260286
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -9.472
flat angles C4'-P-C4' energy: 1.551
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: 2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 30
Temperature: 2.483333
Total energy: -43.042782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.042782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.042782 (E_RNA)
where:
Base-Base interactions energy: -4.261
where: short stacking energy: -5.236
Base-Backbone interact. energy: -0.370
local terms energy: -38.412286
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: 7.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 2.500000
Total energy: -36.943829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.943829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.943829 (E_RNA)
where:
Base-Base interactions energy: -6.749
where: short stacking energy: -6.693
Base-Backbone interact. energy: -0.091
local terms energy: -30.103839
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -2.167
tors. eta vs tors. theta energy: 9.561
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: 9
=====================================
Write number: 31
Temperature: 2.350000
Total energy: -36.440803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.440803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.440803 (E_RNA)
where:
Base-Base interactions energy: -8.887
where: short stacking energy: -8.101
Base-Backbone interact. energy: 0.785
local terms energy: -28.338825
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -8.408
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -3.923
tors. eta vs tors. theta energy: 6.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 31
Temperature: 2.366667
Total energy: -37.632854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.632854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.632854 (E_RNA)
where:
Base-Base interactions energy: -11.685
where: short stacking energy: -8.362
Base-Backbone interact. energy: 1.561
local terms energy: -27.508491
where:
bonds (distance) C4'-P energy: -6.750
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -4.440
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: 5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 31
Temperature: 2.383333
Total energy: -37.903070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.903070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.903070 (E_RNA)
where:
Base-Base interactions energy: -6.021
where: short stacking energy: -6.021
Base-Backbone interact. energy: 3.336
local terms energy: -35.217535
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -6.257
flat angles P-C4'-P energy: -1.531
tors. eta vs tors. theta energy: 2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 2.400000
Total energy: -38.360860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.360860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.360860 (E_RNA)
where:
Base-Base interactions energy: -5.739
where: short stacking energy: -2.036
Base-Backbone interact. energy: -0.894
local terms energy: -31.727860
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -9.290
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: 10.610
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: 5
=====================================
Write number: 31
Temperature: 2.416667
Total energy: -42.245039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.245039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.245039 (E_RNA)
where:
Base-Base interactions energy: -12.897
where: short stacking energy: -10.800
Base-Backbone interact. energy: 1.002
local terms energy: -30.349756
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: 8.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 31
Temperature: 2.433333
Total energy: -41.877265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.877265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.877265 (E_RNA)
where:
Base-Base interactions energy: -11.106
where: short stacking energy: -8.277
Base-Backbone interact. energy: -0.100
local terms energy: -30.671212
where:
bonds (distance) C4'-P energy: -1.404
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -4.866
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: 3
=====================================
Write number: 31
Temperature: 2.450000
Total energy: -48.754508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.754508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.754508 (E_RNA)
where:
Base-Base interactions energy: -3.880
where: short stacking energy: -3.138
Base-Backbone interact. energy: -0.029
local terms energy: -44.844556
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -7.496
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: 8, replica: 4
=====================================
Write number: 31
Temperature: 2.466667
Total energy: -39.197749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.197749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.197749 (E_RNA)
where:
Base-Base interactions energy: -15.335
where: short stacking energy: -14.423
Base-Backbone interact. energy: 2.356
local terms energy: -26.218405
where:
bonds (distance) C4'-P energy: -3.244
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -3.775
flat angles P-C4'-P energy: -4.821
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: 9, replica: 1
=====================================
Write number: 31
Temperature: 2.483333
Total energy: -36.807263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.807263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.807263 (E_RNA)
where:
Base-Base interactions energy: -6.793
where: short stacking energy: -6.068
Base-Backbone interact. energy: -0.180
local terms energy: -29.834413
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -6.880
flat angles C4'-P-C4' energy: -4.217
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: 3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 2.500000
Total energy: -34.489449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.489449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.489449 (E_RNA)
where:
Base-Base interactions energy: -6.184
where: short stacking energy: -5.791
Base-Backbone interact. energy: -0.272
local terms energy: -28.033726
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -0.475
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: 7.298
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: 10
=====================================
Write number: 32
Temperature: 2.350000
Total energy: -45.123459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.123459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.123459 (E_RNA)
where:
Base-Base interactions energy: -5.648
where: short stacking energy: -3.340
Base-Backbone interact. energy: -0.213
local terms energy: -39.262606
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: 4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 32
Temperature: 2.366667
Total energy: -37.137335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.137335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.137335 (E_RNA)
where:
Base-Base interactions energy: -2.452
where: short stacking energy: -2.227
Base-Backbone interact. energy: 0.731
local terms energy: -35.416895
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -4.262
flat angles P-C4'-P energy: -3.036
tors. eta vs tors. theta energy: 5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 2.383333
Total energy: -38.788312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.788312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.788312 (E_RNA)
where:
Base-Base interactions energy: -2.297
where: short stacking energy: -2.993
Base-Backbone interact. energy: 0.726
local terms energy: -37.217386
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -8.072
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: 8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 32
Temperature: 2.400000
Total energy: -39.507783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.507783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.507783 (E_RNA)
where:
Base-Base interactions energy: -2.660
where: short stacking energy: -1.896
Base-Backbone interact. energy: -0.111
local terms energy: -36.737004
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -8.124
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: 5, replica: 6
=====================================
Write number: 32
Temperature: 2.416667
Total energy: -43.266998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.266998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.266998 (E_RNA)
where:
Base-Base interactions energy: -5.540
where: short stacking energy: -2.129
Base-Backbone interact. energy: -0.158
local terms energy: -37.568407
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: 9.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 32
Temperature: 2.433333
Total energy: -35.107898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.107898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.107898 (E_RNA)
where:
Base-Base interactions energy: -8.445
where: short stacking energy: -8.443
Base-Backbone interact. energy: -2.522
local terms energy: -24.140706
where:
bonds (distance) C4'-P energy: -6.074
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: 12.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 32
Temperature: 2.450000
Total energy: -41.201356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.201356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.201356 (E_RNA)
where:
Base-Base interactions energy: -5.875
where: short stacking energy: -6.308
Base-Backbone interact. energy: -1.045
local terms energy: -34.282226
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -4.311
tors. eta vs tors. theta energy: 8.766
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: 3
=====================================
Write number: 32
Temperature: 2.466667
Total energy: -37.215586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.215586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.215586 (E_RNA)
where:
Base-Base interactions energy: -1.316
where: short stacking energy: -0.733
Base-Backbone interact. energy: -0.290
local terms energy: -35.609511
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: 13.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 2.483333
Total energy: -30.953360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.953360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.953360 (E_RNA)
where:
Base-Base interactions energy: -5.702
where: short stacking energy: -5.702
Base-Backbone interact. energy: -0.287
local terms energy: -24.964264
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -7.560
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -4.721
tors. eta vs tors. theta energy: 12.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 32
Temperature: 2.500000
Total energy: -37.937280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.937280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.937280 (E_RNA)
where:
Base-Base interactions energy: -8.675
where: short stacking energy: -8.390
Base-Backbone interact. energy: -0.116
local terms energy: -29.146762
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -4.215
tors. eta vs tors. theta energy: 9.511
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: 10
=====================================
Write number: 33
Temperature: 2.350000
Total energy: -38.784765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.784765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.784765 (E_RNA)
where:
Base-Base interactions energy: -8.022
where: short stacking energy: -8.022
Base-Backbone interact. energy: 0.290
local terms energy: -31.052732
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -7.636
flat angles P-C4'-P energy: -5.102
tors. eta vs tors. theta energy: 8.649
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: 2, replica: 2
=====================================
Write number: 33
Temperature: 2.366667
Total energy: -40.007984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.007984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.007984 (E_RNA)
where:
Base-Base interactions energy: -4.596
where: short stacking energy: -3.444
Base-Backbone interact. energy: 2.239
local terms energy: -37.651468
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: 9.928
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: 3, replica: 9
=====================================
Write number: 33
Temperature: 2.383333
Total energy: -35.745209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.745209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.745209 (E_RNA)
where:
Base-Base interactions energy: -3.863
where: short stacking energy: -5.424
Base-Backbone interact. energy: 1.586
local terms energy: -33.468507
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -2.161
tors. eta vs tors. theta energy: 8.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 33
Temperature: 2.400000
Total energy: -44.739904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.739904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.739904 (E_RNA)
where:
Base-Base interactions energy: -12.843
where: short stacking energy: -9.139
Base-Backbone interact. energy: -0.437
local terms energy: -31.460043
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -7.988
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -6.967
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: 5, replica: 7
=====================================
Write number: 33
Temperature: 2.416667
Total energy: -37.875994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.875994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.875994 (E_RNA)
where:
Base-Base interactions energy: -11.976
where: short stacking energy: -10.043
Base-Backbone interact. energy: -0.273
local terms energy: -25.626956
where:
bonds (distance) C4'-P energy: -4.246
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -4.401
tors. eta vs tors. theta energy: 7.524
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: 4
=====================================
Write number: 33
Temperature: 2.433333
Total energy: -36.281519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.281519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.281519 (E_RNA)
where:
Base-Base interactions energy: -14.200
where: short stacking energy: -13.550
Base-Backbone interact. energy: -0.016
local terms energy: -22.065004
where:
bonds (distance) C4'-P energy: 1.039
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -6.679
flat angles P-C4'-P energy: 1.714
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: 7, replica: 5
=====================================
Write number: 33
Temperature: 2.450000
Total energy: -32.647354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.647354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.647354 (E_RNA)
where:
Base-Base interactions energy: -1.993
where: short stacking energy: -2.323
Base-Backbone interact. energy: 0.369
local terms energy: -31.024076
where:
bonds (distance) C4'-P energy: -9.625
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: 10.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 33
Temperature: 2.466667
Total energy: -37.546820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.546820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.546820 (E_RNA)
where:
Base-Base interactions energy: -2.187
where: short stacking energy: -1.096
Base-Backbone interact. energy: -0.296
local terms energy: -35.063371
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -8.726
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: 8.560
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: 3
=====================================
Write number: 33
Temperature: 2.483333
Total energy: -35.569389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.569389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.569389 (E_RNA)
where:
Base-Base interactions energy: -9.966
where: short stacking energy: -5.658
Base-Backbone interact. energy: -0.255
local terms energy: -25.347498
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -8.662
flat angles P-C4'-P energy: -1.659
tors. eta vs tors. theta energy: 10.439
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: 1
=====================================
Write number: 33
Temperature: 2.500000
Total energy: -37.926876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.926876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.926876 (E_RNA)
where:
Base-Base interactions energy: -4.458
where: short stacking energy: -4.097
Base-Backbone interact. energy: 1.659
local terms energy: -35.128186
where:
bonds (distance) C4'-P energy: -7.807
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -2.686
tors. eta vs tors. theta energy: 7.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 34
Temperature: 2.350000
Total energy: -39.920823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.920823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.920823 (E_RNA)
where:
Base-Base interactions energy: -5.323
where: short stacking energy: -5.323
Base-Backbone interact. energy: -0.199
local terms energy: -34.398017
where:
bonds (distance) C4'-P energy: -7.993
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: 9.041
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: 10
=====================================
Write number: 34
Temperature: 2.366667
Total energy: -36.524720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.524720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.524720 (E_RNA)
where:
Base-Base interactions energy: -8.519
where: short stacking energy: -8.719
Base-Backbone interact. energy: -0.366
local terms energy: -27.640245
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -4.046
flat angles P-C4'-P energy: 3.171
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: 3, replica: 6
=====================================
Write number: 34
Temperature: 2.383333
Total energy: -44.616007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.616007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.616007 (E_RNA)
where:
Base-Base interactions energy: -9.280
where: short stacking energy: -9.280
Base-Backbone interact. energy: -0.204
local terms energy: -35.131999
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -6.004
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: 2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 34
Temperature: 2.400000
Total energy: -36.413091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.413091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.413091 (E_RNA)
where:
Base-Base interactions energy: -5.167
where: short stacking energy: -5.167
Base-Backbone interact. energy: -0.458
local terms energy: -30.787996
where:
bonds (distance) C4'-P energy: -8.552
bonds (distance) P-C4' energy: -9.074
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: 8.902
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: 4
=====================================
Write number: 34
Temperature: 2.416667
Total energy: -38.894698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.894698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.894698 (E_RNA)
where:
Base-Base interactions energy: -2.410
where: short stacking energy: -1.580
Base-Backbone interact. energy: -0.211
local terms energy: -36.273335
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: 11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 34
Temperature: 2.433333
Total energy: -37.133699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.133699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.133699 (E_RNA)
where:
Base-Base interactions energy: -0.994
where: short stacking energy: -3.690
Base-Backbone interact. energy: -0.649
local terms energy: -35.490060
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -2.815
tors. eta vs tors. theta energy: 8.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 34
Temperature: 2.450000
Total energy: -37.731003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.731003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.731003 (E_RNA)
where:
Base-Base interactions energy: -8.668
where: short stacking energy: -8.178
Base-Backbone interact. energy: -0.073
local terms energy: -28.990285
where:
bonds (distance) C4'-P energy: -7.190
bonds (distance) P-C4' energy: -9.830
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: 4.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 34
Temperature: 2.466667
Total energy: -33.480883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.480883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.480883 (E_RNA)
where:
Base-Base interactions energy: -13.598
where: short stacking energy: -9.880
Base-Backbone interact. energy: -0.359
local terms energy: -19.524460
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -4.996
flat angles C4'-P-C4' energy: -9.949
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: 9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 34
Temperature: 2.483333
Total energy: -33.482456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.482456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.482456 (E_RNA)
where:
Base-Base interactions energy: -4.738
where: short stacking energy: -0.888
Base-Backbone interact. energy: 2.009
local terms energy: -30.753045
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -3.406
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: 6.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 34
Temperature: 2.500000
Total energy: -39.163799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.163799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.163799 (E_RNA)
where:
Base-Base interactions energy: -8.279
where: short stacking energy: -5.192
Base-Backbone interact. energy: 0.601
local terms energy: -31.486354
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -3.366
tors. eta vs tors. theta energy: 9.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 2.350000
Total energy: -37.324534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.324534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.324534 (E_RNA)
where:
Base-Base interactions energy: -7.872
where: short stacking energy: -6.503
Base-Backbone interact. energy: 0.179
local terms energy: -29.631580
where:
bonds (distance) C4'-P energy: -5.503
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -8.865
flat angles P-C4'-P energy: -7.119
tors. eta vs tors. theta energy: 7.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 35
Temperature: 2.366667
Total energy: -37.296724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.296724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.296724 (E_RNA)
where:
Base-Base interactions energy: -9.691
where: short stacking energy: -9.691
Base-Backbone interact. energy: 0.350
local terms energy: -27.955803
where:
bonds (distance) C4'-P energy: -0.896
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -2.473
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: 3, replica: 10
=====================================
Write number: 35
Temperature: 2.383333
Total energy: -34.434548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.434548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.434548 (E_RNA)
where:
Base-Base interactions energy: -7.875
where: short stacking energy: -6.804
Base-Backbone interact. energy: -0.355
local terms energy: -26.205049
where:
bonds (distance) C4'-P energy: -8.623
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -8.278
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: 11.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 2.400000
Total energy: -37.485308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.485308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.485308 (E_RNA)
where:
Base-Base interactions energy: -9.125
where: short stacking energy: -5.908
Base-Backbone interact. energy: 0.639
local terms energy: -28.999417
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -7.768
flat angles P-C4'-P energy: -4.752
tors. eta vs tors. theta energy: 6.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 35
Temperature: 2.416667
Total energy: -38.789401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.789401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.789401 (E_RNA)
where:
Base-Base interactions energy: -13.641
where: short stacking energy: -13.606
Base-Backbone interact. energy: -1.537
local terms energy: -23.611699
where:
bonds (distance) C4'-P energy: -7.020
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -3.669
flat angles P-C4'-P energy: -2.892
tors. eta vs tors. theta energy: 1.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 35
Temperature: 2.433333
Total energy: -36.168599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.168599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.168599 (E_RNA)
where:
Base-Base interactions energy: -15.493
where: short stacking energy: -15.421
Base-Backbone interact. energy: 2.147
local terms energy: -22.823373
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -7.545
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: 3.121
tors. eta vs tors. theta energy: 3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 35
Temperature: 2.450000
Total energy: -42.824297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.824297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.824297 (E_RNA)
where:
Base-Base interactions energy: -1.866
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.239
local terms energy: -40.719809
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -9.692
flat angles C4'-P-C4' energy: -7.795
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: -0.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 35
Temperature: 2.466667
Total energy: -34.939840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.939840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.939840 (E_RNA)
where:
Base-Base interactions energy: -9.857
where: short stacking energy: -10.257
Base-Backbone interact. energy: -0.183
local terms energy: -24.899998
where:
bonds (distance) C4'-P energy: -5.542
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -9.274
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: 6.595
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: 5
=====================================
Write number: 35
Temperature: 2.483333
Total energy: -51.860280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.860280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.860280 (E_RNA)
where:
Base-Base interactions energy: -12.088
where: short stacking energy: -12.088
Base-Backbone interact. energy: 2.291
local terms energy: -42.064136
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -3.346
tors. eta vs tors. theta energy: 1.144
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: 3
=====================================
Write number: 35
Temperature: 2.500000
Total energy: -40.022282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.022282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.022282 (E_RNA)
where:
Base-Base interactions energy: -10.749
where: short stacking energy: -10.212
Base-Backbone interact. energy: 0.114
local terms energy: -29.387159
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -4.984
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: 3.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 36
Temperature: 2.350000
Total energy: -45.847931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.847931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.847931 (E_RNA)
where:
Base-Base interactions energy: -4.599
where: short stacking energy: -4.329
Base-Backbone interact. energy: -0.047
local terms energy: -41.202511
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -5.835
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: 2, replica: 2
=====================================
Write number: 36
Temperature: 2.366667
Total energy: -42.692808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.692808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.692808 (E_RNA)
where:
Base-Base interactions energy: -5.822
where: short stacking energy: -6.522
Base-Backbone interact. energy: 1.009
local terms energy: -37.879841
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -4.099
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: 5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 36
Temperature: 2.383333
Total energy: -33.801775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.801775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.801775 (E_RNA)
where:
Base-Base interactions energy: -9.293
where: short stacking energy: -5.280
Base-Backbone interact. energy: -0.359
local terms energy: -24.149986
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -4.486
flat angles P-C4'-P energy: -3.524
tors. eta vs tors. theta energy: 11.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 36
Temperature: 2.400000
Total energy: -39.274743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.274743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.274743 (E_RNA)
where:
Base-Base interactions energy: -10.755
where: short stacking energy: -6.110
Base-Backbone interact. energy: -0.897
local terms energy: -27.622579
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -6.961
flat angles C4'-P-C4' energy: -8.091
flat angles P-C4'-P energy: 0.774
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: 5, replica: 8
=====================================
Write number: 36
Temperature: 2.416667
Total energy: -39.363896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.363896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.363896 (E_RNA)
where:
Base-Base interactions energy: -13.005
where: short stacking energy: -10.729
Base-Backbone interact. energy: -0.292
local terms energy: -26.066174
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -5.289
flat angles C4'-P-C4' energy: -8.745
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: 8.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 36
Temperature: 2.433333
Total energy: -41.229212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.229212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.229212 (E_RNA)
where:
Base-Base interactions energy: -9.368
where: short stacking energy: -8.080
Base-Backbone interact. energy: 2.074
local terms energy: -33.935640
where:
bonds (distance) C4'-P energy: -7.725
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -9.217
flat angles P-C4'-P energy: -7.431
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: 7, replica: 1
=====================================
Write number: 36
Temperature: 2.450000
Total energy: -40.961589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.961589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.961589 (E_RNA)
where:
Base-Base interactions energy: -5.313
where: short stacking energy: -4.735
Base-Backbone interact. energy: -0.277
local terms energy: -35.371496
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -4.774
tors. eta vs tors. theta energy: 7.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 36
Temperature: 2.466667
Total energy: -30.183181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.183181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.183181 (E_RNA)
where:
Base-Base interactions energy: -11.231
where: short stacking energy: -6.611
Base-Backbone interact. energy: -0.737
local terms energy: -18.214897
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -6.273
flat angles C4'-P-C4' energy: -6.542
flat angles P-C4'-P energy: 1.665
tors. eta vs tors. theta energy: 6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 36
Temperature: 2.483333
Total energy: -44.498915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.498915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.498915 (E_RNA)
where:
Base-Base interactions energy: -8.471
where: short stacking energy: -7.661
Base-Backbone interact. energy: -0.125
local terms energy: -35.902625
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -6.197
flat angles P-C4'-P energy: -5.341
tors. eta vs tors. theta energy: 2.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 36
Temperature: 2.500000
Total energy: -41.781673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.781673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.781673 (E_RNA)
where:
Base-Base interactions energy: -9.544
where: short stacking energy: -8.978
Base-Backbone interact. energy: -0.222
local terms energy: -32.015319
where:
bonds (distance) C4'-P energy: -3.562
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -7.663
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: 1.355
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: 1, replica: 6
=====================================
Write number: 37
Temperature: 2.350000
Total energy: -39.567571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.567571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.567571 (E_RNA)
where:
Base-Base interactions energy: -11.413
where: short stacking energy: -9.919
Base-Backbone interact. energy: -0.685
local terms energy: -27.470247
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -2.162
tors. eta vs tors. theta energy: 7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 37
Temperature: 2.366667
Total energy: -37.918900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.918900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.918900 (E_RNA)
where:
Base-Base interactions energy: -5.126
where: short stacking energy: -4.317
Base-Backbone interact. energy: -0.247
local terms energy: -32.545169
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: 0.375
tors. eta vs tors. theta energy: 11.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 37
Temperature: 2.383333
Total energy: -38.645582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.645582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.645582 (E_RNA)
where:
Base-Base interactions energy: -0.983
where: short stacking energy: -0.095
Base-Backbone interact. energy: -0.305
local terms energy: -37.358262
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -4.856
tors. eta vs tors. theta energy: 8.598
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: 8
=====================================
Write number: 37
Temperature: 2.400000
Total energy: -38.288332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.288332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.288332 (E_RNA)
where:
Base-Base interactions energy: -3.623
where: short stacking energy: -2.668
Base-Backbone interact. energy: 2.968
local terms energy: -37.633832
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -7.784
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: 7.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 37
Temperature: 2.416667
Total energy: -37.736652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.736652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.736652 (E_RNA)
where:
Base-Base interactions energy: -1.252
where: short stacking energy: -1.255
Base-Backbone interact. energy: -0.019
local terms energy: -36.466455
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: 7.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 37
Temperature: 2.433333
Total energy: -36.452205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.452205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.452205 (E_RNA)
where:
Base-Base interactions energy: -3.005
where: short stacking energy: -2.377
Base-Backbone interact. energy: -0.316
local terms energy: -33.130677
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -7.910
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: 9.576
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: 9
=====================================
Write number: 37
Temperature: 2.450000
Total energy: -32.743963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.743963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.743963 (E_RNA)
where:
Base-Base interactions energy: -6.145
where: short stacking energy: -5.507
Base-Backbone interact. energy: -0.298
local terms energy: -26.300619
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -0.519
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: 8.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 37
Temperature: 2.466667
Total energy: -40.594496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.594496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.594496 (E_RNA)
where:
Base-Base interactions energy: -8.676
where: short stacking energy: -6.408
Base-Backbone interact. energy: 4.325
local terms energy: -36.243648
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: 7.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 37
Temperature: 2.483333
Total energy: -36.588385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.588385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.588385 (E_RNA)
where:
Base-Base interactions energy: -7.128
where: short stacking energy: -6.604
Base-Backbone interact. energy: 0.294
local terms energy: -29.754641
where:
bonds (distance) C4'-P energy: -6.343
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: 8.186
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: 5
=====================================
Write number: 37
Temperature: 2.500000
Total energy: -33.126321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.126321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.126321 (E_RNA)
where:
Base-Base interactions energy: -10.585
where: short stacking energy: -7.567
Base-Backbone interact. energy: 0.696
local terms energy: -23.237241
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: 11.300
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: 2.870
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: 1, replica: 4
=====================================
Write number: 38
Temperature: 2.350000
Total energy: -48.299781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.299781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.299781 (E_RNA)
where:
Base-Base interactions energy: -7.020
where: short stacking energy: -2.241
Base-Backbone interact. energy: -0.558
local terms energy: -40.721520
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -9.089
flat angles P-C4'-P energy: -8.832
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: 2, replica: 6
=====================================
Write number: 38
Temperature: 2.366667
Total energy: -40.441950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.441950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.441950 (E_RNA)
where:
Base-Base interactions energy: -10.410
where: short stacking energy: -10.410
Base-Backbone interact. energy: 0.933
local terms energy: -30.965605
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -9.231
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -0.517
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: 3, replica: 8
=====================================
Write number: 38
Temperature: 2.383333
Total energy: -41.124265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.124265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.124265 (E_RNA)
where:
Base-Base interactions energy: -10.417
where: short stacking energy: -3.060
Base-Backbone interact. energy: -0.421
local terms energy: -30.286676
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -7.510
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: 8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 38
Temperature: 2.400000
Total energy: -42.074517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.074517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.074517 (E_RNA)
where:
Base-Base interactions energy: -7.701
where: short stacking energy: -5.476
Base-Backbone interact. energy: 0.105
local terms energy: -34.478356
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: 6.401
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: 5, replica: 1
=====================================
Write number: 38
Temperature: 2.416667
Total energy: -43.596041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.596041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.596041 (E_RNA)
where:
Base-Base interactions energy: -10.436
where: short stacking energy: -5.711
Base-Backbone interact. energy: -0.833
local terms energy: -32.327384
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -9.381
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: 6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 38
Temperature: 2.433333
Total energy: -34.835357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.835357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.835357 (E_RNA)
where:
Base-Base interactions energy: -7.507
where: short stacking energy: -5.500
Base-Backbone interact. energy: -0.808
local terms energy: -26.519613
where:
bonds (distance) C4'-P energy: -8.381
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -4.245
tors. eta vs tors. theta energy: 11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 2.450000
Total energy: -34.106493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.106493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.106493 (E_RNA)
where:
Base-Base interactions energy: -10.521
where: short stacking energy: -10.521
Base-Backbone interact. energy: -0.260
local terms energy: -23.325746
where:
bonds (distance) C4'-P energy: -8.731
bonds (distance) P-C4' energy: -4.191
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -1.704
tors. eta vs tors. theta energy: 5.263
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: 9
=====================================
Write number: 38
Temperature: 2.466667
Total energy: -30.209684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.209684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.209684 (E_RNA)
where:
Base-Base interactions energy: -5.322
where: short stacking energy: -5.322
Base-Backbone interact. energy: 0.339
local terms energy: -25.226418
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -8.698
flat angles C4'-P-C4' energy: -7.531
flat angles P-C4'-P energy: -2.716
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: 9, replica: 5
=====================================
Write number: 38
Temperature: 2.483333
Total energy: -34.038613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.038613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.038613 (E_RNA)
where:
Base-Base interactions energy: -2.500
where: short stacking energy: -2.478
Base-Backbone interact. energy: 0.241
local terms energy: -31.779789
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -10.021
flat angles C4'-P-C4' energy: -9.329
flat angles P-C4'-P energy: -5.375
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: 10, replica: 3
=====================================
Write number: 38
Temperature: 2.500000
Total energy: -38.584883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.584883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.584883 (E_RNA)
where:
Base-Base interactions energy: -9.234
where: short stacking energy: -9.234
Base-Backbone interact. energy: -0.123
local terms energy: -29.227898
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -7.966
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: 10.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 39
Temperature: 2.350000
Total energy: -35.140572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.140572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.140572 (E_RNA)
where:
Base-Base interactions energy: -4.424
where: short stacking energy: -3.694
Base-Backbone interact. energy: -0.533
local terms energy: -30.183065
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: 1.253
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: 8.346
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: 8
=====================================
Write number: 39
Temperature: 2.366667
Total energy: -36.780950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.780950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.780950 (E_RNA)
where:
Base-Base interactions energy: -3.529
where: short stacking energy: -3.145
Base-Backbone interact. energy: -0.726
local terms energy: -32.526216
where:
bonds (distance) C4'-P energy: -6.143
bonds (distance) P-C4' energy: -18.708
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -3.868
tors. eta vs tors. theta energy: 9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 39
Temperature: 2.383333
Total energy: -35.702927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.702927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.702927 (E_RNA)
where:
Base-Base interactions energy: -7.269
where: short stacking energy: -7.269
Base-Backbone interact. energy: 0.887
local terms energy: -29.320756
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -7.127
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: 10.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 2.400000
Total energy: -34.198657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.198657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.198657 (E_RNA)
where:
Base-Base interactions energy: -7.695
where: short stacking energy: -6.087
Base-Backbone interact. energy: 3.945
local terms energy: -30.449240
where:
bonds (distance) C4'-P energy: -3.830
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -4.721
tors. eta vs tors. theta energy: 7.557
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: 5, replica: 2
=====================================
Write number: 39
Temperature: 2.416667
Total energy: -37.648957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.648957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.648957 (E_RNA)
where:
Base-Base interactions energy: -11.992
where: short stacking energy: -10.078
Base-Backbone interact. energy: -0.472
local terms energy: -25.185174
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -9.477
flat angles C4'-P-C4' energy: -1.196
flat angles P-C4'-P energy: -4.172
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: 6, replica: 7
=====================================
Write number: 39
Temperature: 2.433333
Total energy: -32.386713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.386713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.386713 (E_RNA)
where:
Base-Base interactions energy: -5.875
where: short stacking energy: -5.875
Base-Backbone interact. energy: -0.555
local terms energy: -25.957114
where:
bonds (distance) C4'-P energy: -5.304
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -1.471
tors. eta vs tors. theta energy: 7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 39
Temperature: 2.450000
Total energy: -41.907428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.907428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.907428 (E_RNA)
where:
Base-Base interactions energy: -9.064
where: short stacking energy: -8.183
Base-Backbone interact. energy: 1.159
local terms energy: -34.001860
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: 0.318
flat angles P-C4'-P energy: -11.551
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: 8, replica: 5
=====================================
Write number: 39
Temperature: 2.466667
Total energy: -39.029314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.029314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.029314 (E_RNA)
where:
Base-Base interactions energy: -8.862
where: short stacking energy: -7.980
Base-Backbone interact. energy: -0.299
local terms energy: -29.868887
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -8.971
flat angles P-C4'-P energy: 3.440
tors. eta vs tors. theta energy: 5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 2.483333
Total energy: -36.621168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.621168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.621168 (E_RNA)
where:
Base-Base interactions energy: -5.193
where: short stacking energy: -4.790
Base-Backbone interact. energy: -0.587
local terms energy: -30.841015
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -6.015
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: 8.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 39
Temperature: 2.500000
Total energy: -36.921330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.921330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.921330 (E_RNA)
where:
Base-Base interactions energy: -12.049
where: short stacking energy: -11.143
Base-Backbone interact. energy: -0.122
local terms energy: -24.750753
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -6.821
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: 11.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 40
Temperature: 2.350000
Total energy: -43.078975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.078975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.078975 (E_RNA)
where:
Base-Base interactions energy: -14.220
where: short stacking energy: -8.869
Base-Backbone interact. energy: -0.352
local terms energy: -28.507458
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -10.224
flat angles C4'-P-C4' energy: -8.279
flat angles P-C4'-P energy: -1.368
tors. eta vs tors. theta energy: 1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 40
Temperature: 2.366667
Total energy: -40.531337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.531337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.531337 (E_RNA)
where:
Base-Base interactions energy: -12.259
where: short stacking energy: -9.488
Base-Backbone interact. energy: 1.407
local terms energy: -29.678633
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -1.843
tors. eta vs tors. theta energy: 8.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 40
Temperature: 2.383333
Total energy: -37.406260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.406260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.406260 (E_RNA)
where:
Base-Base interactions energy: -7.726
where: short stacking energy: -7.726
Base-Backbone interact. energy: -0.200
local terms energy: -29.480711
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -9.060
flat angles C4'-P-C4' energy: -9.112
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: 8.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 40
Temperature: 2.400000
Total energy: -36.373602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.373602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.373602 (E_RNA)
where:
Base-Base interactions energy: -10.059
where: short stacking energy: -7.049
Base-Backbone interact. energy: -0.253
local terms energy: -26.061947
where:
bonds (distance) C4'-P energy: -4.658
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -4.673
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: 5, replica: 7
=====================================
Write number: 40
Temperature: 2.416667
Total energy: -32.915551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.915551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.915551 (E_RNA)
where:
Base-Base interactions energy: -6.754
where: short stacking energy: -5.933
Base-Backbone interact. energy: -0.179
local terms energy: -25.983145
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -2.920
flat angles P-C4'-P energy: -0.204
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: 6, replica: 2
=====================================
Write number: 40
Temperature: 2.433333
Total energy: -40.854778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.854778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.854778 (E_RNA)
where:
Base-Base interactions energy: -4.571
where: short stacking energy: -4.571
Base-Backbone interact. energy: -0.127
local terms energy: -36.157541
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -6.404
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: 6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 40
Temperature: 2.450000
Total energy: -38.476317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.476317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.476317 (E_RNA)
where:
Base-Base interactions energy: -11.323
where: short stacking energy: -10.630
Base-Backbone interact. energy: -0.334
local terms energy: -26.819200
where:
bonds (distance) C4'-P energy: -8.663
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -9.394
flat angles P-C4'-P energy: -2.479
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: 8, replica: 10
=====================================
Write number: 40
Temperature: 2.466667
Total energy: -37.167786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.167786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.167786 (E_RNA)
where:
Base-Base interactions energy: -8.472
where: short stacking energy: -6.082
Base-Backbone interact. energy: -0.461
local terms energy: -28.235259
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -9.577
flat angles C4'-P-C4' energy: -4.105
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: 10.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 40
Temperature: 2.483333
Total energy: -35.201444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.201444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.201444 (E_RNA)
where:
Base-Base interactions energy: -5.731
where: short stacking energy: -7.731
Base-Backbone interact. energy: 1.772
local terms energy: -31.242425
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -9.790
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -1.936
tors. eta vs tors. theta energy: 6.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 2.500000
Total energy: -33.350917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.350917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.350917 (E_RNA)
where:
Base-Base interactions energy: -5.819
where: short stacking energy: -5.364
Base-Backbone interact. energy: 0.468
local terms energy: -27.999463
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -4.851
flat angles P-C4'-P energy: -3.757
tors. eta vs tors. theta energy: 4.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 41
Temperature: 2.350000
Total energy: -40.937529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.937529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.937529 (E_RNA)
where:
Base-Base interactions energy: -4.048
where: short stacking energy: -3.129
Base-Backbone interact. energy: -0.402
local terms energy: -36.487431
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -8.616
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -7.321
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: 2, replica: 1
=====================================
Write number: 41
Temperature: 2.366667
Total energy: -35.254355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.254355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.254355 (E_RNA)
where:
Base-Base interactions energy: -12.193
where: short stacking energy: -10.878
Base-Backbone interact. energy: -0.198
local terms energy: -22.863265
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -3.637
flat angles P-C4'-P energy: -5.111
tors. eta vs tors. theta energy: 8.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 41
Temperature: 2.383333
Total energy: -41.826678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.826678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.826678 (E_RNA)
where:
Base-Base interactions energy: -4.906
where: short stacking energy: -1.826
Base-Backbone interact. energy: -0.491
local terms energy: -36.429225
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: 9.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 41
Temperature: 2.400000
Total energy: -41.315928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.315928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.315928 (E_RNA)
where:
Base-Base interactions energy: -7.701
where: short stacking energy: -7.701
Base-Backbone interact. energy: -0.204
local terms energy: -33.410656
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -0.677
tors. eta vs tors. theta energy: 8.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 2.416667
Total energy: -39.022666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.022666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.022666 (E_RNA)
where:
Base-Base interactions energy: -11.309
where: short stacking energy: -11.309
Base-Backbone interact. energy: 0.004
local terms energy: -27.717078
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -3.896
tors. eta vs tors. theta energy: 8.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 41
Temperature: 2.433333
Total energy: -36.706181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.706181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.706181 (E_RNA)
where:
Base-Base interactions energy: -10.562
where: short stacking energy: -10.929
Base-Backbone interact. energy: -0.298
local terms energy: -25.846003
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -11.198
flat angles C4'-P-C4' energy: -2.858
flat angles P-C4'-P energy: -4.733
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: 7, replica: 2
=====================================
Write number: 41
Temperature: 2.450000
Total energy: -42.313576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.313576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.313576 (E_RNA)
where:
Base-Base interactions energy: -12.669
where: short stacking energy: -5.875
Base-Backbone interact. energy: -0.190
local terms energy: -29.454875
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -9.132
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: 9.916
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: 41
Temperature: 2.466667
Total energy: -41.452064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.452064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.452064 (E_RNA)
where:
Base-Base interactions energy: -11.667
where: short stacking energy: -8.349
Base-Backbone interact. energy: -0.285
local terms energy: -29.500457
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -2.344
tors. eta vs tors. theta energy: 1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 2.483333
Total energy: -35.590392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.590392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.590392 (E_RNA)
where:
Base-Base interactions energy: -6.285
where: short stacking energy: -6.285
Base-Backbone interact. energy: -0.193
local terms energy: -29.112643
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -4.369
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: 6.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 2.500000
Total energy: -37.496760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.496760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.496760 (E_RNA)
where:
Base-Base interactions energy: -7.060
where: short stacking energy: -7.060
Base-Backbone interact. energy: -0.101
local terms energy: -30.335406
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -1.974
tors. eta vs tors. theta energy: 6.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 2.350000
Total energy: -43.300809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.300809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.300809 (E_RNA)
where:
Base-Base interactions energy: -5.077
where: short stacking energy: -4.602
Base-Backbone interact. energy: -0.342
local terms energy: -37.881553
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: 13.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 42
Temperature: 2.366667
Total energy: -43.190628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.190628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.190628 (E_RNA)
where:
Base-Base interactions energy: -5.718
where: short stacking energy: -5.500
Base-Backbone interact. energy: -0.929
local terms energy: -36.543238
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -6.134
flat angles P-C4'-P energy: -11.257
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: 3, replica: 7
=====================================
Write number: 42
Temperature: 2.383333
Total energy: -39.448313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.448313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.448313 (E_RNA)
where:
Base-Base interactions energy: -2.342
where: short stacking energy: -3.942
Base-Backbone interact. energy: -0.193
local terms energy: -36.912879
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: 0.235
tors. eta vs tors. theta energy: 8.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 42
Temperature: 2.400000
Total energy: -42.951828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.951828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.951828 (E_RNA)
where:
Base-Base interactions energy: -6.601
where: short stacking energy: -6.601
Base-Backbone interact. energy: 3.139
local terms energy: -39.490627
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: 6.263
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: 5
=====================================
Write number: 42
Temperature: 2.416667
Total energy: -37.713156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.713156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.713156 (E_RNA)
where:
Base-Base interactions energy: -15.329
where: short stacking energy: -11.764
Base-Backbone interact. energy: 5.831
local terms energy: -28.215176
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -3.731
tors. eta vs tors. theta energy: 10.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 2.433333
Total energy: -36.395667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.395667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.395667 (E_RNA)
where:
Base-Base interactions energy: -5.645
where: short stacking energy: -5.645
Base-Backbone interact. energy: -0.213
local terms energy: -30.538222
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: 9.864
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: 7, replica: 3
=====================================
Write number: 42
Temperature: 2.450000
Total energy: -39.486044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.486044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.486044 (E_RNA)
where:
Base-Base interactions energy: -12.848
where: short stacking energy: -12.331
Base-Backbone interact. energy: 1.134
local terms energy: -27.772311
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -7.666
flat angles P-C4'-P energy: -5.104
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: 8, replica: 2
=====================================
Write number: 42
Temperature: 2.466667
Total energy: -36.010569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.010569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.010569 (E_RNA)
where:
Base-Base interactions energy: -10.151
where: short stacking energy: -6.176
Base-Backbone interact. energy: 1.116
local terms energy: -26.975798
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -7.068
flat angles P-C4'-P energy: -4.516
tors. eta vs tors. theta energy: 11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 2.483333
Total energy: -35.090942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.090942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.090942 (E_RNA)
where:
Base-Base interactions energy: -6.131
where: short stacking energy: -3.351
Base-Backbone interact. energy: -0.306
local terms energy: -28.653510
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -5.462
flat angles C4'-P-C4' energy: -6.008
flat angles P-C4'-P energy: -5.101
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 42
Temperature: 2.500000
Total energy: -39.016892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.016892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.016892 (E_RNA)
where:
Base-Base interactions energy: -5.879
where: short stacking energy: -4.707
Base-Backbone interact. energy: -0.210
local terms energy: -32.928051
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -9.165
flat angles P-C4'-P energy: -3.318
tors. eta vs tors. theta energy: 7.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 2.350000
Total energy: -41.009149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.009149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.009149 (E_RNA)
where:
Base-Base interactions energy: -7.491
where: short stacking energy: -7.491
Base-Backbone interact. energy: -0.277
local terms energy: -33.241653
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -9.095
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: 8.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 43
Temperature: 2.366667
Total energy: -45.668081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.668081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.668081 (E_RNA)
where:
Base-Base interactions energy: -16.205
where: short stacking energy: -6.755
Base-Backbone interact. energy: -1.483
local terms energy: -27.980052
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -5.755
flat angles P-C4'-P energy: -2.640
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: 3, replica: 8
=====================================
Write number: 43
Temperature: 2.383333
Total energy: -39.256230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.256230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.256230 (E_RNA)
where:
Base-Base interactions energy: -9.330
where: short stacking energy: -6.060
Base-Backbone interact. energy: 1.708
local terms energy: -31.634223
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: 0.187
tors. eta vs tors. theta energy: 6.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 2.400000
Total energy: -38.733163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.733163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.733163 (E_RNA)
where:
Base-Base interactions energy: -6.658
where: short stacking energy: -5.063
Base-Backbone interact. energy: -0.040
local terms energy: -32.035621
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -2.139
tors. eta vs tors. theta energy: 10.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 43
Temperature: 2.416667
Total energy: -38.025482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.025482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.025482 (E_RNA)
where:
Base-Base interactions energy: -3.512
where: short stacking energy: -3.848
Base-Backbone interact. energy: 0.147
local terms energy: -34.661191
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -4.506
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: 6, replica: 3
=====================================
Write number: 43
Temperature: 2.433333
Total energy: -42.639288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.639288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.639288 (E_RNA)
where:
Base-Base interactions energy: -9.343
where: short stacking energy: -7.971
Base-Backbone interact. energy: -0.022
local terms energy: -33.273724
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -6.223
flat angles C4'-P-C4' energy: -4.371
flat angles P-C4'-P energy: -6.994
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: 7, replica: 6
=====================================
Write number: 43
Temperature: 2.450000
Total energy: -38.303472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.303472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.303472 (E_RNA)
where:
Base-Base interactions energy: -9.737
where: short stacking energy: -5.150
Base-Backbone interact. energy: -1.589
local terms energy: -26.977846
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -7.424
flat angles P-C4'-P energy: 0.479
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: 8, replica: 9
=====================================
Write number: 43
Temperature: 2.466667
Total energy: -32.863303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.863303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.863303 (E_RNA)
where:
Base-Base interactions energy: -5.419
where: short stacking energy: -4.267
Base-Backbone interact. energy: -0.194
local terms energy: -27.249769
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -9.318
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: 11.373
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: 2
=====================================
Write number: 43
Temperature: 2.483333
Total energy: -35.115887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.115887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.115887 (E_RNA)
where:
Base-Base interactions energy: -7.294
where: short stacking energy: -4.860
Base-Backbone interact. energy: 1.177
local terms energy: -28.999185
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -5.245
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: 9.533
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: 10
=====================================
Write number: 43
Temperature: 2.500000
Total energy: -40.436566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.436566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.436566 (E_RNA)
where:
Base-Base interactions energy: -12.377
where: short stacking energy: -10.317
Base-Backbone interact. energy: 1.117
local terms energy: -29.176900
where:
bonds (distance) C4'-P energy: -3.074
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -8.157
flat angles P-C4'-P energy: -9.388
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: 7
=====================================
Write number: 44
Temperature: 2.350000
Total energy: -36.760622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.760622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.760622 (E_RNA)
where:
Base-Base interactions energy: -4.811
where: short stacking energy: -0.402
Base-Backbone interact. energy: 1.270
local terms energy: -33.219353
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -8.090
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: 11.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 2.366667
Total energy: -44.229251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.229251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.229251 (E_RNA)
where:
Base-Base interactions energy: -3.099
where: short stacking energy: -1.197
Base-Backbone interact. energy: 0.270
local terms energy: -41.399812
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: 8.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 44
Temperature: 2.383333
Total energy: -40.309418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.309418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.309418 (E_RNA)
where:
Base-Base interactions energy: -10.687
where: short stacking energy: -10.687
Base-Backbone interact. energy: 1.543
local terms energy: -31.165917
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -8.551
flat angles P-C4'-P energy: -0.972
tors. eta vs tors. theta energy: 4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 44
Temperature: 2.400000
Total energy: -34.975667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.975667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.975667 (E_RNA)
where:
Base-Base interactions energy: -5.503
where: short stacking energy: -4.008
Base-Backbone interact. energy: -1.064
local terms energy: -28.408793
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -5.710
flat angles P-C4'-P energy: -2.435
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: 5, replica: 3
=====================================
Write number: 44
Temperature: 2.416667
Total energy: -36.173482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.173482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.173482 (E_RNA)
where:
Base-Base interactions energy: -9.166
where: short stacking energy: -7.397
Base-Backbone interact. energy: 0.975
local terms energy: -27.982522
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -10.723
flat angles C4'-P-C4' energy: -8.469
flat angles P-C4'-P energy: -2.192
tors. eta vs tors. theta energy: 8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 44
Temperature: 2.433333
Total energy: -47.990499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.990499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.990499 (E_RNA)
where:
Base-Base interactions energy: -11.806
where: short stacking energy: -8.645
Base-Backbone interact. energy: -0.220
local terms energy: -35.965301
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: 3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 44
Temperature: 2.450000
Total energy: -39.078366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.078366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.078366 (E_RNA)
where:
Base-Base interactions energy: -11.068
where: short stacking energy: -10.103
Base-Backbone interact. energy: -0.393
local terms energy: -27.617451
where:
bonds (distance) C4'-P energy: -8.923
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: 8.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 44
Temperature: 2.466667
Total energy: -43.016042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.016042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.016042 (E_RNA)
where:
Base-Base interactions energy: -5.574
where: short stacking energy: -3.927
Base-Backbone interact. energy: 4.155
local terms energy: -41.596187
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -5.331
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: 6.436
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: 9, replica: 10
=====================================
Write number: 44
Temperature: 2.483333
Total energy: -35.638643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.638643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.638643 (E_RNA)
where:
Base-Base interactions energy: -11.760
where: short stacking energy: -11.760
Base-Backbone interact. energy: -0.167
local terms energy: -23.712180
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -9.376
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -2.786
tors. eta vs tors. theta energy: 8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 44
Temperature: 2.500000
Total energy: -36.734374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.734374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.734374 (E_RNA)
where:
Base-Base interactions energy: -11.546
where: short stacking energy: -11.546
Base-Backbone interact. energy: 0.538
local terms energy: -25.727151
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -8.161
flat angles P-C4'-P energy: -2.477
tors. eta vs tors. theta energy: 7.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 45
Temperature: 2.350000
Total energy: -40.811613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.811613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.811613 (E_RNA)
where:
Base-Base interactions energy: -4.444
where: short stacking energy: -1.966
Base-Backbone interact. energy: -0.051
local terms energy: -36.316733
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -3.620
tors. eta vs tors. theta energy: 9.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 2.366667
Total energy: -36.289784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.289784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.289784 (E_RNA)
where:
Base-Base interactions energy: -10.025
where: short stacking energy: -8.165
Base-Backbone interact. energy: -1.069
local terms energy: -25.195569
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -4.763
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -3.399
tors. eta vs tors. theta energy: 7.714
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: 1
=====================================
Write number: 45
Temperature: 2.383333
Total energy: -40.062952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.062952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.062952 (E_RNA)
where:
Base-Base interactions energy: -13.925
where: short stacking energy: -13.113
Base-Backbone interact. energy: -0.270
local terms energy: -25.867750
where:
bonds (distance) C4'-P energy: -4.833
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -6.331
flat angles P-C4'-P energy: -5.340
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: 4, replica: 3
=====================================
Write number: 45
Temperature: 2.400000
Total energy: -38.665621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.665621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.665621 (E_RNA)
where:
Base-Base interactions energy: -12.737
where: short stacking energy: -11.568
Base-Backbone interact. energy: -0.128
local terms energy: -25.800461
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -8.449
flat angles P-C4'-P energy: 6.865
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: 5, replica: 8
=====================================
Write number: 45
Temperature: 2.416667
Total energy: -48.993014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.993014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.993014 (E_RNA)
where:
Base-Base interactions energy: -16.976
where: short stacking energy: -16.976
Base-Backbone interact. energy: -0.182
local terms energy: -31.834889
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: 3.036
tors. eta vs tors. theta energy: 0.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 45
Temperature: 2.433333
Total energy: -36.841482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.841482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.841482 (E_RNA)
where:
Base-Base interactions energy: -11.167
where: short stacking energy: -11.167
Base-Backbone interact. energy: -0.128
local terms energy: -25.546700
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -8.334
flat angles P-C4'-P energy: -2.262
tors. eta vs tors. theta energy: 6.039
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: 4
=====================================
Write number: 45
Temperature: 2.450000
Total energy: -38.643147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.643147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.643147 (E_RNA)
where:
Base-Base interactions energy: -9.464
where: short stacking energy: -8.493
Base-Backbone interact. energy: 1.157
local terms energy: -30.335506
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -7.869
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: 4.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 2.466667
Total energy: -37.895243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.895243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.895243 (E_RNA)
where:
Base-Base interactions energy: -5.032
where: short stacking energy: -3.565
Base-Backbone interact. energy: -0.052
local terms energy: -32.811716
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -0.403
tors. eta vs tors. theta energy: 9.370
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: 6
=====================================
Write number: 45
Temperature: 2.483333
Total energy: -35.776061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.776061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.776061 (E_RNA)
where:
Base-Base interactions energy: -11.901
where: short stacking energy: -4.292
Base-Backbone interact. energy: -0.278
local terms energy: -23.596716
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -2.579
flat angles P-C4'-P energy: -2.492
tors. eta vs tors. theta energy: 4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 45
Temperature: 2.500000
Total energy: -32.520550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.520550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.520550 (E_RNA)
where:
Base-Base interactions energy: -5.040
where: short stacking energy: -5.040
Base-Backbone interact. energy: 1.667
local terms energy: -29.147866
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -9.706
flat angles C4'-P-C4' energy: -8.349
flat angles P-C4'-P energy: -4.786
tors. eta vs tors. theta energy: 7.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 2.350000
Total energy: -38.455876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.455876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.455876 (E_RNA)
where:
Base-Base interactions energy: -3.981
where: short stacking energy: -3.838
Base-Backbone interact. energy: -0.338
local terms energy: -34.137338
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -1.893
tors. eta vs tors. theta energy: 8.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 46
Temperature: 2.366667
Total energy: -37.421498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.421498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.421498 (E_RNA)
where:
Base-Base interactions energy: -0.348
where: short stacking energy: -0.348
Base-Backbone interact. energy: -0.163
local terms energy: -36.910651
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: 9.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 46
Temperature: 2.383333
Total energy: -33.220668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.220668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.220668 (E_RNA)
where:
Base-Base interactions energy: -4.940
where: short stacking energy: -2.125
Base-Backbone interact. energy: -0.195
local terms energy: -28.085610
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -6.406
flat angles P-C4'-P energy: -4.840
tors. eta vs tors. theta energy: 8.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 46
Temperature: 2.400000
Total energy: -35.005865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.005865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.005865 (E_RNA)
where:
Base-Base interactions energy: -5.580
where: short stacking energy: -4.492
Base-Backbone interact. energy: 1.532
local terms energy: -30.957636
where:
bonds (distance) C4'-P energy: -6.826
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -6.373
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: 3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 46
Temperature: 2.416667
Total energy: -33.564549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.564549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.564549 (E_RNA)
where:
Base-Base interactions energy: -3.459
where: short stacking energy: -1.475
Base-Backbone interact. energy: -1.084
local terms energy: -29.021644
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: 10.666
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: 8
=====================================
Write number: 46
Temperature: 2.433333
Total energy: -39.539761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.539761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.539761 (E_RNA)
where:
Base-Base interactions energy: -12.032
where: short stacking energy: -11.025
Base-Backbone interact. energy: 0.315
local terms energy: -27.822604
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -9.605
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -1.317
tors. eta vs tors. theta energy: 7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 2.450000
Total energy: -38.004023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.004023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.004023 (E_RNA)
where:
Base-Base interactions energy: -4.963
where: short stacking energy: -4.963
Base-Backbone interact. energy: -0.177
local terms energy: -32.864403
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -8.687
flat angles P-C4'-P energy: 0.776
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: 8, replica: 4
=====================================
Write number: 46
Temperature: 2.466667
Total energy: -40.528992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.528992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.528992 (E_RNA)
where:
Base-Base interactions energy: -10.479
where: short stacking energy: -9.251
Base-Backbone interact. energy: 0.913
local terms energy: -30.963396
where:
bonds (distance) C4'-P energy: -8.039
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -7.339
flat angles P-C4'-P energy: -4.888
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: 9, replica: 2
=====================================
Write number: 46
Temperature: 2.483333
Total energy: -29.790023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.790023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.790023 (E_RNA)
where:
Base-Base interactions energy: -9.803
where: short stacking energy: -8.427
Base-Backbone interact. energy: -0.497
local terms energy: -19.490723
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -3.618
flat angles C4'-P-C4' energy: -3.931
flat angles P-C4'-P energy: -4.828
tors. eta vs tors. theta energy: 8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 46
Temperature: 2.500000
Total energy: -32.350707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.350707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.350707 (E_RNA)
where:
Base-Base interactions energy: -1.959
where: short stacking energy: -1.959
Base-Backbone interact. energy: -0.246
local terms energy: -30.146563
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -4.694
tors. eta vs tors. theta energy: 12.264
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: 47
Temperature: 2.350000
Total energy: -41.007402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.007402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.007402 (E_RNA)
where:
Base-Base interactions energy: -4.884
where: short stacking energy: -2.727
Base-Backbone interact. energy: -0.117
local terms energy: -36.005729
where:
bonds (distance) C4'-P energy: -10.138
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -8.386
flat angles P-C4'-P energy: -9.870
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: 47
Temperature: 2.366667
Total energy: -38.361040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.361040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.361040 (E_RNA)
where:
Base-Base interactions energy: -4.496
where: short stacking energy: -3.784
Base-Backbone interact. energy: -0.150
local terms energy: -33.714845
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -4.121
flat angles P-C4'-P energy: -0.196
tors. eta vs tors. theta energy: 2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 47
Temperature: 2.383333
Total energy: -41.619474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.619474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.619474 (E_RNA)
where:
Base-Base interactions energy: -6.866
where: short stacking energy: -9.002
Base-Backbone interact. energy: -0.302
local terms energy: -34.451058
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -5.777
flat angles P-C4'-P energy: -7.093
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: 4, replica: 9
=====================================
Write number: 47
Temperature: 2.400000
Total energy: -39.856553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.856553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.856553 (E_RNA)
where:
Base-Base interactions energy: -4.943
where: short stacking energy: -2.628
Base-Backbone interact. energy: -0.083
local terms energy: -34.830288
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -6.636
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: 12.230
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: 5, replica: 1
=====================================
Write number: 47
Temperature: 2.416667
Total energy: -41.571363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.571363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.571363 (E_RNA)
where:
Base-Base interactions energy: -4.247
where: short stacking energy: -4.047
Base-Backbone interact. energy: -0.209
local terms energy: -37.115607
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -7.229
flat angles P-C4'-P energy: -4.012
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: 6, replica: 10
=====================================
Write number: 47
Temperature: 2.433333
Total energy: -42.959366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.959366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.959366 (E_RNA)
where:
Base-Base interactions energy: -9.712
where: short stacking energy: -9.712
Base-Backbone interact. energy: 0.056
local terms energy: -33.304034
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -4.662
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: 6.777
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: 8
=====================================
Write number: 47
Temperature: 2.450000
Total energy: -35.683295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.683295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.683295 (E_RNA)
where:
Base-Base interactions energy: -8.080
where: short stacking energy: -7.043
Base-Backbone interact. energy: 0.621
local terms energy: -28.223865
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -9.791
flat angles C4'-P-C4' energy: -6.865
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: 10.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 47
Temperature: 2.466667
Total energy: -39.229753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.229753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.229753 (E_RNA)
where:
Base-Base interactions energy: -8.136
where: short stacking energy: -4.870
Base-Backbone interact. energy: -0.420
local terms energy: -30.673357
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -1.124
tors. eta vs tors. theta energy: 7.610
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: 9, replica: 4
=====================================
Write number: 47
Temperature: 2.483333
Total energy: -34.554943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.554943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.554943 (E_RNA)
where:
Base-Base interactions energy: -8.991
where: short stacking energy: -4.472
Base-Backbone interact. energy: -0.264
local terms energy: -25.300024
where:
bonds (distance) C4'-P energy: -5.849
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -4.542
tors. eta vs tors. theta energy: 9.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 47
Temperature: 2.500000
Total energy: -38.807536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.807536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.807536 (E_RNA)
where:
Base-Base interactions energy: -6.683
where: short stacking energy: -6.297
Base-Backbone interact. energy: 0.077
local terms energy: -32.201993
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -7.801
flat angles C4'-P-C4' energy: -8.605
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: 5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 48
Temperature: 2.350000
Total energy: -43.216923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.216923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.216923 (E_RNA)
where:
Base-Base interactions energy: -9.255
where: short stacking energy: -9.046
Base-Backbone interact. energy: -0.409
local terms energy: -33.552188
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -8.478
flat angles P-C4'-P energy: -2.719
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: 2, replica: 5
=====================================
Write number: 48
Temperature: 2.366667
Total energy: -38.495056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.495056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.495056 (E_RNA)
where:
Base-Base interactions energy: -2.503
where: short stacking energy: -1.290
Base-Backbone interact. energy: -0.266
local terms energy: -35.725756
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -5.994
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: 11.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 2.383333
Total energy: -39.808529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.808529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.808529 (E_RNA)
where:
Base-Base interactions energy: -10.271
where: short stacking energy: -9.874
Base-Backbone interact. energy: -0.382
local terms energy: -29.155287
where:
bonds (distance) C4'-P energy: -8.876
bonds (distance) P-C4' energy: -10.741
flat angles C4'-P-C4' energy: -8.841
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: 8.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 48
Temperature: 2.400000
Total energy: -36.385404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.385404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.385404 (E_RNA)
where:
Base-Base interactions energy: -5.831
where: short stacking energy: -5.831
Base-Backbone interact. energy: -0.192
local terms energy: -30.362299
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -0.547
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: 5, replica: 10
=====================================
Write number: 48
Temperature: 2.416667
Total energy: -33.562191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.562191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.562191 (E_RNA)
where:
Base-Base interactions energy: -9.889
where: short stacking energy: -9.889
Base-Backbone interact. energy: -0.043
local terms energy: -23.629869
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -7.926
flat angles C4'-P-C4' energy: 2.358
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: 6.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 48
Temperature: 2.433333
Total energy: -34.413946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.413946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.413946 (E_RNA)
where:
Base-Base interactions energy: -9.989
where: short stacking energy: -8.479
Base-Backbone interact. energy: -0.171
local terms energy: -24.254324
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: 3.383
tors. eta vs tors. theta energy: 8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 48
Temperature: 2.450000
Total energy: -41.518315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.518315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.518315 (E_RNA)
where:
Base-Base interactions energy: -13.638
where: short stacking energy: -10.873
Base-Backbone interact. energy: -0.275
local terms energy: -27.605202
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -10.396
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -0.796
tors. eta vs tors. theta energy: 9.659
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: 8
=====================================
Write number: 48
Temperature: 2.466667
Total energy: -35.910865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.910865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.910865 (E_RNA)
where:
Base-Base interactions energy: -16.088
where: short stacking energy: -13.838
Base-Backbone interact. energy: -0.232
local terms energy: -19.591185
where:
bonds (distance) C4'-P energy: -5.174
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: 2.345
tors. eta vs tors. theta energy: 5.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 2.483333
Total energy: -35.797050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.797050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.797050 (E_RNA)
where:
Base-Base interactions energy: -7.112
where: short stacking energy: -6.278
Base-Backbone interact. energy: -1.534
local terms energy: -27.151100
where:
bonds (distance) C4'-P energy: -4.663
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: 8.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 48
Temperature: 2.500000
Total energy: -42.599501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.599501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.599501 (E_RNA)
where:
Base-Base interactions energy: -2.817
where: short stacking energy: -0.299
Base-Backbone interact. energy: -0.933
local terms energy: -38.849631
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -7.799
flat angles P-C4'-P energy: -6.836
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: 1, replica: 3
=====================================
Write number: 49
Temperature: 2.350000
Total energy: -38.420848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.420848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.420848 (E_RNA)
where:
Base-Base interactions energy: -7.770
where: short stacking energy: -7.275
Base-Backbone interact. energy: -0.156
local terms energy: -30.494620
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -7.785
flat angles P-C4'-P energy: -3.471
tors. eta vs tors. theta energy: 6.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 49
Temperature: 2.366667
Total energy: -38.073013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.073013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.073013 (E_RNA)
where:
Base-Base interactions energy: -5.394
where: short stacking energy: -1.397
Base-Backbone interact. energy: -1.394
local terms energy: -31.285893
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -2.427
tors. eta vs tors. theta energy: 10.402
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: 3, replica: 5
=====================================
Write number: 49
Temperature: 2.383333
Total energy: -35.076646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.076646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.076646 (E_RNA)
where:
Base-Base interactions energy: -4.226
where: short stacking energy: -0.716
Base-Backbone interact. energy: -1.136
local terms energy: -29.714580
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -7.254
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: 11.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 49
Temperature: 2.400000
Total energy: -41.628559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.628559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.628559 (E_RNA)
where:
Base-Base interactions energy: -9.200
where: short stacking energy: -8.517
Base-Backbone interact. energy: 3.679
local terms energy: -36.107032
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -4.311
tors. eta vs tors. theta energy: 8.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 49
Temperature: 2.416667
Total energy: -33.026959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.026959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.026959 (E_RNA)
where:
Base-Base interactions energy: -5.970
where: short stacking energy: -4.551
Base-Backbone interact. energy: -0.612
local terms energy: -26.444473
where:
bonds (distance) C4'-P energy: -9.877
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: 9.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 49
Temperature: 2.433333
Total energy: -42.944383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.944383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.944383 (E_RNA)
where:
Base-Base interactions energy: -11.816
where: short stacking energy: -3.936
Base-Backbone interact. energy: -0.107
local terms energy: -31.020958
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -9.075
flat angles C4'-P-C4' energy: -6.485
flat angles P-C4'-P energy: -8.264
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: 7, replica: 1
=====================================
Write number: 49
Temperature: 2.450000
Total energy: -33.917441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.917441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.917441 (E_RNA)
where:
Base-Base interactions energy: -1.998
where: short stacking energy: -1.998
Base-Backbone interact. energy: -0.334
local terms energy: -31.584564
where:
bonds (distance) C4'-P energy: -9.061
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: 9.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 49
Temperature: 2.466667
Total energy: -38.372234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.372234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.372234 (E_RNA)
where:
Base-Base interactions energy: -8.001
where: short stacking energy: -4.459
Base-Backbone interact. energy: -0.441
local terms energy: -29.930113
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -8.738
flat angles P-C4'-P energy: -2.637
tors. eta vs tors. theta energy: 7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 2.483333
Total energy: -35.674165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.674165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.674165 (E_RNA)
where:
Base-Base interactions energy: -4.921
where: short stacking energy: -2.756
Base-Backbone interact. energy: 0.165
local terms energy: -30.918265
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -6.336
flat angles P-C4'-P energy: -0.079
tors. eta vs tors. theta energy: 8.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 49
Temperature: 2.500000
Total energy: -35.662248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.662248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.662248 (E_RNA)
where:
Base-Base interactions energy: -10.628
where: short stacking energy: -6.721
Base-Backbone interact. energy: -0.163
local terms energy: -24.871518
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -8.483
flat angles C4'-P-C4' energy: -9.289
flat angles P-C4'-P energy: 1.194
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: 1, replica: 9
=====================================
Write number: 50
Temperature: 2.350000
Total energy: -39.347109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.347109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.347109 (E_RNA)
where:
Base-Base interactions energy: -3.600
where: short stacking energy: -2.466
Base-Backbone interact. energy: -0.116
local terms energy: -35.631262
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -3.910
tors. eta vs tors. theta energy: 10.742
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: 50
Temperature: 2.366667
Total energy: -35.610182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.610182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.610182 (E_RNA)
where:
Base-Base interactions energy: -7.575
where: short stacking energy: -4.008
Base-Backbone interact. energy: -0.335
local terms energy: -27.700803
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -9.311
flat angles P-C4'-P energy: 3.086
tors. eta vs tors. theta energy: 9.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 50
Temperature: 2.383333
Total energy: -36.014506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.014506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.014506 (E_RNA)
where:
Base-Base interactions energy: -8.049
where: short stacking energy: -8.049
Base-Backbone interact. energy: -0.088
local terms energy: -27.877581
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -4.554
flat angles P-C4'-P energy: -6.823
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: 4, replica: 5
=====================================
Write number: 50
Temperature: 2.400000
Total energy: -34.821445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.821445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.821445 (E_RNA)
where:
Base-Base interactions energy: -1.969
where: short stacking energy: -1.969
Base-Backbone interact. energy: -0.301
local terms energy: -32.551697
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: 6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 2.416667
Total energy: -37.078830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.078830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.078830 (E_RNA)
where:
Base-Base interactions energy: -6.883
where: short stacking energy: -6.201
Base-Backbone interact. energy: -0.842
local terms energy: -29.353729
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -9.687
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -1.670
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: 6, replica: 7
=====================================
Write number: 50
Temperature: 2.433333
Total energy: -35.518277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.518277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.518277 (E_RNA)
where:
Base-Base interactions energy: -8.754
where: short stacking energy: -8.244
Base-Backbone interact. energy: -0.205
local terms energy: -26.559299
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -9.394
flat angles C4'-P-C4' energy: -8.236
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: 8.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 2.450000
Total energy: -36.016327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.016327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.016327 (E_RNA)
where:
Base-Base interactions energy: -7.474
where: short stacking energy: -5.094
Base-Backbone interact. energy: 2.359
local terms energy: -30.901628
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -3.799
tors. eta vs tors. theta energy: 6.572
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: 1
=====================================
Write number: 50
Temperature: 2.466667
Total energy: -32.953838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.953838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.953838 (E_RNA)
where:
Base-Base interactions energy: -9.688
where: short stacking energy: -9.688
Base-Backbone interact. energy: 0.099
local terms energy: -23.364063
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -4.426
flat angles P-C4'-P energy: -0.726
tors. eta vs tors. theta energy: 8.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 50
Temperature: 2.483333
Total energy: -34.506223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.506223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.506223 (E_RNA)
where:
Base-Base interactions energy: -6.888
where: short stacking energy: -6.888
Base-Backbone interact. energy: -0.996
local terms energy: -26.622626
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -0.474
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: 8.865
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: 8
=====================================
Write number: 50
Temperature: 2.500000
Total energy: -37.868425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.868425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.868425 (E_RNA)
where:
Base-Base interactions energy: -1.622
where: short stacking energy: 0.194
Base-Backbone interact. energy: -0.376
local terms energy: -35.871274
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -7.929
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: 7.645
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: 51
Temperature: 2.350000
Total energy: -38.670566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.670566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.670566 (E_RNA)
where:
Base-Base interactions energy: -9.771
where: short stacking energy: -8.099
Base-Backbone interact. energy: -0.430
local terms energy: -28.469767
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: 12.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 51
Temperature: 2.366667
Total energy: -49.071889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.071889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.071889 (E_RNA)
where:
Base-Base interactions energy: -10.996
where: short stacking energy: -9.353
Base-Backbone interact. energy: 3.825
local terms energy: -41.900698
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: 5.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 2.383333
Total energy: -43.783503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.783503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.783503 (E_RNA)
where:
Base-Base interactions energy: -9.160
where: short stacking energy: -7.049
Base-Backbone interact. energy: -0.378
local terms energy: -34.245422
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -2.774
flat angles P-C4'-P energy: -8.103
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: 4, replica: 2
=====================================
Write number: 51
Temperature: 2.400000
Total energy: -41.774992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.774992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.774992 (E_RNA)
where:
Base-Base interactions energy: -4.603
where: short stacking energy: -3.273
Base-Backbone interact. energy: -0.120
local terms energy: -37.051709
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -8.588
flat angles P-C4'-P energy: -0.761
tors. eta vs tors. theta energy: 4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 51
Temperature: 2.416667
Total energy: -34.975483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.975483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.975483 (E_RNA)
where:
Base-Base interactions energy: -4.877
where: short stacking energy: -2.902
Base-Backbone interact. energy: -0.565
local terms energy: -29.532736
where:
bonds (distance) C4'-P energy: -5.851
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -7.139
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: 7.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 51
Temperature: 2.433333
Total energy: -34.331009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.331009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.331009 (E_RNA)
where:
Base-Base interactions energy: -7.919
where: short stacking energy: -7.821
Base-Backbone interact. energy: -0.295
local terms energy: -26.116745
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -8.344
flat angles C4'-P-C4' energy: -4.945
flat angles P-C4'-P energy: -5.659
tors. eta vs tors. theta energy: 8.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 2.450000
Total energy: -32.709699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.709699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.709699 (E_RNA)
where:
Base-Base interactions energy: -7.619
where: short stacking energy: -7.041
Base-Backbone interact. energy: -0.318
local terms energy: -24.771845
where:
bonds (distance) C4'-P energy: -6.241
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -3.875
tors. eta vs tors. theta energy: 8.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 2.466667
Total energy: -32.202047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.202047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.202047 (E_RNA)
where:
Base-Base interactions energy: -5.718
where: short stacking energy: -5.718
Base-Backbone interact. energy: -0.163
local terms energy: -26.321067
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -6.768
flat angles P-C4'-P energy: -3.470
tors. eta vs tors. theta energy: 8.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 51
Temperature: 2.483333
Total energy: -36.067207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.067207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.067207 (E_RNA)
where:
Base-Base interactions energy: -12.703
where: short stacking energy: -11.764
Base-Backbone interact. energy: 1.991
local terms energy: -25.355593
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -8.018
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -1.739
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: 10, replica: 8
=====================================
Write number: 51
Temperature: 2.500000
Total energy: -36.276980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.276980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.276980 (E_RNA)
where:
Base-Base interactions energy: -7.666
where: short stacking energy: -4.941
Base-Backbone interact. energy: 2.703
local terms energy: -31.313960
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -8.693
flat angles P-C4'-P energy: -8.462
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: 1, replica: 10
=====================================
Write number: 52
Temperature: 2.350000
Total energy: -39.913218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.913218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.913218 (E_RNA)
where:
Base-Base interactions energy: -5.096
where: short stacking energy: -5.096
Base-Backbone interact. energy: -0.269
local terms energy: -34.547934
where:
bonds (distance) C4'-P energy: -8.773
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -6.896
flat angles P-C4'-P energy: -9.531
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: 2, replica: 9
=====================================
Write number: 52
Temperature: 2.366667
Total energy: -37.229702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.229702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.229702 (E_RNA)
where:
Base-Base interactions energy: -10.108
where: short stacking energy: -10.108
Base-Backbone interact. energy: 2.158
local terms energy: -29.279406
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -9.670
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: 9.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 52
Temperature: 2.383333
Total energy: -37.246980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.246980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.246980 (E_RNA)
where:
Base-Base interactions energy: -2.249
where: short stacking energy: -1.430
Base-Backbone interact. energy: -0.232
local terms energy: -34.766509
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: 12.447
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: 3
=====================================
Write number: 52
Temperature: 2.400000
Total energy: -34.391287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.391287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.391287 (E_RNA)
where:
Base-Base interactions energy: -3.056
where: short stacking energy: -2.690
Base-Backbone interact. energy: -0.401
local terms energy: -30.933981
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -7.121
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: 11.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 2.416667
Total energy: -36.078593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.078593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.078593 (E_RNA)
where:
Base-Base interactions energy: -8.923
where: short stacking energy: -8.245
Base-Backbone interact. energy: -0.248
local terms energy: -26.907355
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -8.577
flat angles P-C4'-P energy: 2.340
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: 6, replica: 5
=====================================
Write number: 52
Temperature: 2.433333
Total energy: -35.238580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.238580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.238580 (E_RNA)
where:
Base-Base interactions energy: -2.270
where: short stacking energy: -2.270
Base-Backbone interact. energy: -0.555
local terms energy: -32.413700
where:
bonds (distance) C4'-P energy: -7.400
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -7.774
flat angles P-C4'-P energy: -6.377
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: 7, replica: 4
=====================================
Write number: 52
Temperature: 2.450000
Total energy: -33.848276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.848276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.848276 (E_RNA)
where:
Base-Base interactions energy: -10.064
where: short stacking energy: -10.534
Base-Backbone interact. energy: 0.791
local terms energy: -24.576069
where:
bonds (distance) C4'-P energy: -7.844
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -7.835
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: 9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 52
Temperature: 2.466667
Total energy: -31.310538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.310538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.310538 (E_RNA)
where:
Base-Base interactions energy: -6.354
where: short stacking energy: -6.354
Base-Backbone interact. energy: -0.162
local terms energy: -24.794388
where:
bonds (distance) C4'-P energy: -9.252
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -5.031
flat angles P-C4'-P energy: -3.489
tors. eta vs tors. theta energy: 6.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 52
Temperature: 2.483333
Total energy: -37.499622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.499622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.499622 (E_RNA)
where:
Base-Base interactions energy: -7.503
where: short stacking energy: -5.794
Base-Backbone interact. energy: -0.313
local terms energy: -29.684096
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -2.513
flat angles P-C4'-P energy: -4.937
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: 10, replica: 1
=====================================
Write number: 52
Temperature: 2.500000
Total energy: -34.671751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.671751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.671751 (E_RNA)
where:
Base-Base interactions energy: -8.065
where: short stacking energy: -7.565
Base-Backbone interact. energy: 0.204
local terms energy: -26.810867
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -7.766
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: 12.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 53
Temperature: 2.350000
Total energy: -39.390084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.390084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.390084 (E_RNA)
where:
Base-Base interactions energy: -1.750
where: short stacking energy: -1.595
Base-Backbone interact. energy: -0.237
local terms energy: -37.403434
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -6.084
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: 9.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 53
Temperature: 2.366667
Total energy: -34.432549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.432549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.432549 (E_RNA)
where:
Base-Base interactions energy: -5.027
where: short stacking energy: -5.922
Base-Backbone interact. energy: -0.204
local terms energy: -29.201562
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: 1.245
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: 3, replica: 9
=====================================
Write number: 53
Temperature: 2.383333
Total energy: -34.519228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.519228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.519228 (E_RNA)
where:
Base-Base interactions energy: -8.262
where: short stacking energy: -6.609
Base-Backbone interact. energy: 1.260
local terms energy: -27.518011
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: 4.794
tors. eta vs tors. theta energy: 8.796
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: 6
=====================================
Write number: 53
Temperature: 2.400000
Total energy: -41.798993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.798993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.798993 (E_RNA)
where:
Base-Base interactions energy: -8.117
where: short stacking energy: -8.117
Base-Backbone interact. energy: -0.263
local terms energy: -33.419166
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -8.580
flat angles C4'-P-C4' energy: -10.183
flat angles P-C4'-P energy: -2.294
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: 5, replica: 3
=====================================
Write number: 53
Temperature: 2.416667
Total energy: -38.548311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.548311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.548311 (E_RNA)
where:
Base-Base interactions energy: -7.119
where: short stacking energy: -7.919
Base-Backbone interact. energy: 0.331
local terms energy: -31.760279
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -2.736
flat angles P-C4'-P energy: -7.317
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: 4
=====================================
Write number: 53
Temperature: 2.433333
Total energy: -38.319674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.319674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.319674 (E_RNA)
where:
Base-Base interactions energy: -8.026
where: short stacking energy: -7.916
Base-Backbone interact. energy: -0.306
local terms energy: -29.988232
where:
bonds (distance) C4'-P energy: -7.709
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -1.014
tors. eta vs tors. theta energy: 7.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 53
Temperature: 2.450000
Total energy: -36.512226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.512226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.512226 (E_RNA)
where:
Base-Base interactions energy: -4.481
where: short stacking energy: -0.173
Base-Backbone interact. energy: -0.596
local terms energy: -31.435450
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -5.788
flat angles P-C4'-P energy: -4.048
tors. eta vs tors. theta energy: 9.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 53
Temperature: 2.466667
Total energy: -36.469357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.469357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.469357 (E_RNA)
where:
Base-Base interactions energy: -6.456
where: short stacking energy: -4.794
Base-Backbone interact. energy: -0.198
local terms energy: -29.814954
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -9.331
flat angles C4'-P-C4' energy: -9.410
flat angles P-C4'-P energy: -4.057
tors. eta vs tors. theta energy: 6.543
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: 8
=====================================
Write number: 53
Temperature: 2.483333
Total energy: -38.358780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.358780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.358780 (E_RNA)
where:
Base-Base interactions energy: -8.101
where: short stacking energy: -7.047
Base-Backbone interact. energy: -0.137
local terms energy: -30.120742
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -11.226
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -1.569
tors. eta vs tors. theta energy: 8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 53
Temperature: 2.500000
Total energy: -40.733531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.733531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.733531 (E_RNA)
where:
Base-Base interactions energy: -8.470
where: short stacking energy: -2.935
Base-Backbone interact. energy: -0.252
local terms energy: -32.011520
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -9.357
flat angles C4'-P-C4' energy: -5.846
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: 8.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 2.350000
Total energy: -36.380270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.380270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.380270 (E_RNA)
where:
Base-Base interactions energy: -7.037
where: short stacking energy: -7.342
Base-Backbone interact. energy: 0.637
local terms energy: -29.980135
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -3.184
flat angles P-C4'-P energy: -6.872
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: 2, replica: 10
=====================================
Write number: 54
Temperature: 2.366667
Total energy: -43.071980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.071980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.071980 (E_RNA)
where:
Base-Base interactions energy: -8.320
where: short stacking energy: -8.320
Base-Backbone interact. energy: -0.743
local terms energy: -34.008968
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -9.080
flat angles C4'-P-C4' energy: -4.963
flat angles P-C4'-P energy: -10.887
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: 54
Temperature: 2.383333
Total energy: -37.190810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.190810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.190810 (E_RNA)
where:
Base-Base interactions energy: -7.340
where: short stacking energy: -4.705
Base-Backbone interact. energy: -0.738
local terms energy: -29.112582
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -7.166
flat angles P-C4'-P energy: -1.334
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: 4, replica: 9
=====================================
Write number: 54
Temperature: 2.400000
Total energy: -44.932085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.932085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.932085 (E_RNA)
where:
Base-Base interactions energy: -2.985
where: short stacking energy: -2.985
Base-Backbone interact. energy: 1.922
local terms energy: -43.869042
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -9.063
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -11.317
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: 5, replica: 4
=====================================
Write number: 54
Temperature: 2.416667
Total energy: -36.968117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.968117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.968117 (E_RNA)
where:
Base-Base interactions energy: -6.675
where: short stacking energy: -8.764
Base-Backbone interact. energy: 0.132
local terms energy: -30.424880
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: 0.753
tors. eta vs tors. theta energy: 11.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 54
Temperature: 2.433333
Total energy: -38.607790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.607790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.607790 (E_RNA)
where:
Base-Base interactions energy: -3.663
where: short stacking energy: -2.245
Base-Backbone interact. energy: -0.313
local terms energy: -34.631369
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: 5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 2.450000
Total energy: -31.150720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.150720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.150720 (E_RNA)
where:
Base-Base interactions energy: -5.054
where: short stacking energy: -5.054
Base-Backbone interact. energy: -0.765
local terms energy: -25.332166
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -10.177
flat angles C4'-P-C4' energy: -6.666
flat angles P-C4'-P energy: -0.563
tors. eta vs tors. theta energy: 7.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 54
Temperature: 2.466667
Total energy: -43.909106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.909106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.909106 (E_RNA)
where:
Base-Base interactions energy: -6.045
where: short stacking energy: -5.532
Base-Backbone interact. energy: 0.618
local terms energy: -38.481938
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -9.498
flat angles P-C4'-P energy: -2.007
tors. eta vs tors. theta energy: -1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 54
Temperature: 2.483333
Total energy: -33.693383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.693383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.693383 (E_RNA)
where:
Base-Base interactions energy: -0.957
where: short stacking energy: 0.137
Base-Backbone interact. energy: -0.282
local terms energy: -32.454173
where:
bonds (distance) C4'-P energy: -8.514
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: 11.747
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: 8
=====================================
Write number: 54
Temperature: 2.500000
Total energy: -38.429346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.429346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.429346 (E_RNA)
where:
Base-Base interactions energy: -11.249
where: short stacking energy: -10.108
Base-Backbone interact. energy: -0.181
local terms energy: -26.998415
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -10.194
flat angles C4'-P-C4' energy: -6.768
flat angles P-C4'-P energy: -1.477
tors. eta vs tors. theta energy: 5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 2.350000
Total energy: -48.432308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.432308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.432308 (E_RNA)
where:
Base-Base interactions energy: -12.744
where: short stacking energy: -10.755
Base-Backbone interact. energy: -0.328
local terms energy: -35.359842
where:
bonds (distance) C4'-P energy: -7.479
bonds (distance) P-C4' energy: -7.311
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: 1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 2.366667
Total energy: -38.164334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.164334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.164334 (E_RNA)
where:
Base-Base interactions energy: -4.355
where: short stacking energy: -2.006
Base-Backbone interact. energy: 2.381
local terms energy: -36.190459
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -7.828
flat angles P-C4'-P energy: -2.114
tors. eta vs tors. theta energy: 6.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 55
Temperature: 2.383333
Total energy: -37.113128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.113128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.113128 (E_RNA)
where:
Base-Base interactions energy: -2.749
where: short stacking energy: -2.432
Base-Backbone interact. energy: -0.079
local terms energy: -34.284648
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -3.707
tors. eta vs tors. theta energy: 7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 55
Temperature: 2.400000
Total energy: -38.856772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.856772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.856772 (E_RNA)
where:
Base-Base interactions energy: -7.293
where: short stacking energy: -7.293
Base-Backbone interact. energy: -0.915
local terms energy: -30.648459
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -2.996
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: 7.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 55
Temperature: 2.416667
Total energy: -41.185035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.185035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.185035 (E_RNA)
where:
Base-Base interactions energy: -9.910
where: short stacking energy: -8.946
Base-Backbone interact. energy: -0.065
local terms energy: -31.209695
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -2.869
tors. eta vs tors. theta energy: 6.436
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: 7
=====================================
Write number: 55
Temperature: 2.433333
Total energy: -37.937563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.937563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.937563 (E_RNA)
where:
Base-Base interactions energy: -8.614
where: short stacking energy: -7.935
Base-Backbone interact. energy: -0.258
local terms energy: -29.066013
where:
bonds (distance) C4'-P energy: -5.768
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -4.228
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: 6.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 55
Temperature: 2.450000
Total energy: -38.118665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.118665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.118665 (E_RNA)
where:
Base-Base interactions energy: -13.135
where: short stacking energy: -10.373
Base-Backbone interact. energy: 0.074
local terms energy: -25.057564
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -9.677
flat angles C4'-P-C4' energy: -5.746
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: 7.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 55
Temperature: 2.466667
Total energy: -42.747948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.747948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.747948 (E_RNA)
where:
Base-Base interactions energy: -6.019
where: short stacking energy: -5.188
Base-Backbone interact. energy: -0.286
local terms energy: -36.442574
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: 4.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 55
Temperature: 2.483333
Total energy: -43.185170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.185170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.185170 (E_RNA)
where:
Base-Base interactions energy: -6.324
where: short stacking energy: -5.100
Base-Backbone interact. energy: 1.575
local terms energy: -38.435967
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -10.315
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: 5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 55
Temperature: 2.500000
Total energy: -33.368179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.368179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.368179 (E_RNA)
where:
Base-Base interactions energy: -8.808
where: short stacking energy: -6.988
Base-Backbone interact. energy: -0.843
local terms energy: -23.716929
where:
bonds (distance) C4'-P energy: -8.483
bonds (distance) P-C4' energy: -9.252
flat angles C4'-P-C4' energy: -6.432
flat angles P-C4'-P energy: -6.004
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: 1, replica: 6
=====================================
Write number: 56
Temperature: 2.350000
Total energy: -40.524199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.524199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.524199 (E_RNA)
where:
Base-Base interactions energy: -9.447
where: short stacking energy: -7.955
Base-Backbone interact. energy: -0.193
local terms energy: -30.883270
where:
bonds (distance) C4'-P energy: -5.977
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -4.740
tors. eta vs tors. theta energy: 6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 56
Temperature: 2.366667
Total energy: -35.620605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.620605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.620605 (E_RNA)
where:
Base-Base interactions energy: -6.884
where: short stacking energy: -3.670
Base-Backbone interact. energy: -0.449
local terms energy: -28.287317
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -8.930
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -3.314
tors. eta vs tors. theta energy: 8.465
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: 4
=====================================
Write number: 56
Temperature: 2.383333
Total energy: -37.503435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.503435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.503435 (E_RNA)
where:
Base-Base interactions energy: -8.432
where: short stacking energy: -6.662
Base-Backbone interact. energy: -0.365
local terms energy: -28.706615
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -4.870
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: 9.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 56
Temperature: 2.400000
Total energy: -37.869496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.869496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.869496 (E_RNA)
where:
Base-Base interactions energy: -3.699
where: short stacking energy: -2.731
Base-Backbone interact. energy: 0.906
local terms energy: -35.076307
where:
bonds (distance) C4'-P energy: -9.140
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: 8.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 56
Temperature: 2.416667
Total energy: -34.718437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.718437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.718437 (E_RNA)
where:
Base-Base interactions energy: -3.654
where: short stacking energy: -0.936
Base-Backbone interact. energy: -0.519
local terms energy: -30.545571
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -8.046
flat angles P-C4'-P energy: -1.281
tors. eta vs tors. theta energy: 7.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 56
Temperature: 2.433333
Total energy: -35.781930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.781930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.781930 (E_RNA)
where:
Base-Base interactions energy: -11.436
where: short stacking energy: -5.840
Base-Backbone interact. energy: -0.416
local terms energy: -23.930342
where:
bonds (distance) C4'-P energy: -6.362
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -6.499
flat angles P-C4'-P energy: 0.207
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: 7, replica: 1
=====================================
Write number: 56
Temperature: 2.450000
Total energy: -38.407881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.407881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.407881 (E_RNA)
where:
Base-Base interactions energy: -5.886
where: short stacking energy: -3.008
Base-Backbone interact. energy: -1.001
local terms energy: -31.520439
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -8.482
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: 11.377
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: 3
=====================================
Write number: 56
Temperature: 2.466667
Total energy: -39.918688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.918688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.918688 (E_RNA)
where:
Base-Base interactions energy: -6.441
where: short stacking energy: -6.441
Base-Backbone interact. energy: -0.073
local terms energy: -33.404889
where:
bonds (distance) C4'-P energy: -6.771
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -0.519
tors. eta vs tors. theta energy: 4.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 56
Temperature: 2.483333
Total energy: -35.230597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.230597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.230597 (E_RNA)
where:
Base-Base interactions energy: -6.153
where: short stacking energy: -6.253
Base-Backbone interact. energy: 0.188
local terms energy: -29.266288
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -10.658
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -1.440
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: 10, replica: 5
=====================================
Write number: 56
Temperature: 2.500000
Total energy: -35.559964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.559964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.559964 (E_RNA)
where:
Base-Base interactions energy: -10.722
where: short stacking energy: -8.635
Base-Backbone interact. energy: 1.104
local terms energy: -25.941777
where:
bonds (distance) C4'-P energy: -5.467
bonds (distance) P-C4' energy: -7.988
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: 7.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 57
Temperature: 2.350000
Total energy: -41.224214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.224214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.224214 (E_RNA)
where:
Base-Base interactions energy: -5.175
where: short stacking energy: -3.895
Base-Backbone interact. energy: 2.540
local terms energy: -38.588696
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: 10.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 2.366667
Total energy: -32.910323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.910323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.910323 (E_RNA)
where:
Base-Base interactions energy: -11.011
where: short stacking energy: -9.908
Base-Backbone interact. energy: -0.144
local terms energy: -21.755057
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: 0.672
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: 11.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 2.383333
Total energy: -44.003632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.003632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.003632 (E_RNA)
where:
Base-Base interactions energy: -6.270
where: short stacking energy: -5.716
Base-Backbone interact. energy: -1.243
local terms energy: -36.490977
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -8.286
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: 10.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 57
Temperature: 2.400000
Total energy: -39.279722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.279722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.279722 (E_RNA)
where:
Base-Base interactions energy: -3.742
where: short stacking energy: -3.742
Base-Backbone interact. energy: 2.738
local terms energy: -38.275269
where:
bonds (distance) C4'-P energy: -4.442
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: 4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 57
Temperature: 2.416667
Total energy: -34.066245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.066245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.066245 (E_RNA)
where:
Base-Base interactions energy: -8.388
where: short stacking energy: -8.388
Base-Backbone interact. energy: -0.372
local terms energy: -25.306304
where:
bonds (distance) C4'-P energy: -7.570
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: 0.421
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: 6, replica: 1
=====================================
Write number: 57
Temperature: 2.433333
Total energy: -36.252664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.252664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.252664 (E_RNA)
where:
Base-Base interactions energy: -2.715
where: short stacking energy: -2.715
Base-Backbone interact. energy: -0.099
local terms energy: -33.438721
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -7.619
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -4.662
tors. eta vs tors. theta energy: 7.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 57
Temperature: 2.450000
Total energy: -42.677018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.677018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.677018 (E_RNA)
where:
Base-Base interactions energy: -9.502
where: short stacking energy: -4.295
Base-Backbone interact. energy: -0.658
local terms energy: -32.517397
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -3.076
tors. eta vs tors. theta energy: 11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 2.466667
Total energy: -38.314683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.314683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.314683 (E_RNA)
where:
Base-Base interactions energy: -4.783
where: short stacking energy: -4.240
Base-Backbone interact. energy: -0.225
local terms energy: -33.306848
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -4.374
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: 8.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 57
Temperature: 2.483333
Total energy: -34.922606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.922606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.922606 (E_RNA)
where:
Base-Base interactions energy: -6.370
where: short stacking energy: -0.483
Base-Backbone interact. energy: -0.752
local terms energy: -27.800632
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -8.365
flat angles P-C4'-P energy: -3.963
tors. eta vs tors. theta energy: 13.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 57
Temperature: 2.500000
Total energy: -38.371327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.371327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.371327 (E_RNA)
where:
Base-Base interactions energy: -13.863
where: short stacking energy: -12.517
Base-Backbone interact. energy: -0.218
local terms energy: -24.290408
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -6.692
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: 10.614
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: 1, replica: 4
=====================================
Write number: 58
Temperature: 2.350000
Total energy: -39.872552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.872552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.872552 (E_RNA)
where:
Base-Base interactions energy: -5.866
where: short stacking energy: -3.683
Base-Backbone interact. energy: -1.055
local terms energy: -32.951684
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -7.954
flat angles P-C4'-P energy: -4.955
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: 2, replica: 6
=====================================
Write number: 58
Temperature: 2.366667
Total energy: -39.318867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.318867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.318867 (E_RNA)
where:
Base-Base interactions energy: -4.305
where: short stacking energy: -4.305
Base-Backbone interact. energy: 2.741
local terms energy: -37.754842
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: 10.477
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: 58
Temperature: 2.383333
Total energy: -42.102461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.102461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.102461 (E_RNA)
where:
Base-Base interactions energy: -4.001
where: short stacking energy: -2.629
Base-Backbone interact. energy: -0.186
local terms energy: -37.915139
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -7.582
flat angles P-C4'-P energy: -4.281
tors. eta vs tors. theta energy: 5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 58
Temperature: 2.400000
Total energy: -36.221627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.221627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.221627 (E_RNA)
where:
Base-Base interactions energy: -7.711
where: short stacking energy: -6.100
Base-Backbone interact. energy: -1.133
local terms energy: -27.377435
where:
bonds (distance) C4'-P energy: -8.980
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -5.183
tors. eta vs tors. theta energy: 10.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 58
Temperature: 2.416667
Total energy: -39.359831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.359831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.359831 (E_RNA)
where:
Base-Base interactions energy: -20.161
where: short stacking energy: -14.188
Base-Backbone interact. energy: -0.544
local terms energy: -18.654406
where:
bonds (distance) C4'-P energy: 1.250
bonds (distance) P-C4' energy: -4.322
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -4.076
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: 6, replica: 10
=====================================
Write number: 58
Temperature: 2.433333
Total energy: -34.099623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.099623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.099623 (E_RNA)
where:
Base-Base interactions energy: -4.715
where: short stacking energy: -2.102
Base-Backbone interact. energy: 0.784
local terms energy: -30.168491
where:
bonds (distance) C4'-P energy: -8.378
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -6.869
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: 12.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 58
Temperature: 2.450000
Total energy: -32.615711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.615711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.615711 (E_RNA)
where:
Base-Base interactions energy: -1.209
where: short stacking energy: 2.783
Base-Backbone interact. energy: -0.518
local terms energy: -30.889156
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -7.155
flat angles P-C4'-P energy: -1.363
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: 8, replica: 9
=====================================
Write number: 58
Temperature: 2.466667
Total energy: -42.645536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.645536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.645536 (E_RNA)
where:
Base-Base interactions energy: -10.466
where: short stacking energy: -11.885
Base-Backbone interact. energy: 5.027
local terms energy: -37.206872
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -8.566
flat angles P-C4'-P energy: -2.510
tors. eta vs tors. theta energy: 3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 58
Temperature: 2.483333
Total energy: -33.070840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.070840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.070840 (E_RNA)
where:
Base-Base interactions energy: -3.658
where: short stacking energy: -3.658
Base-Backbone interact. energy: -0.255
local terms energy: -29.158076
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -9.821
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -0.037
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: 10, replica: 3
=====================================
Write number: 58
Temperature: 2.500000
Total energy: -39.598303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.598303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.598303 (E_RNA)
where:
Base-Base interactions energy: -5.782
where: short stacking energy: -3.799
Base-Backbone interact. energy: -0.349
local terms energy: -33.467950
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -4.344
tors. eta vs tors. theta energy: 9.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 2.350000
Total energy: -38.943508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.943508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.943508 (E_RNA)
where:
Base-Base interactions energy: -7.808
where: short stacking energy: -7.808
Base-Backbone interact. energy: -0.125
local terms energy: -31.009968
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -7.263
flat angles P-C4'-P energy: -7.138
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: 7
=====================================
Write number: 59
Temperature: 2.366667
Total energy: -39.605120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.605120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.605120 (E_RNA)
where:
Base-Base interactions energy: -13.051
where: short stacking energy: -11.313
Base-Backbone interact. energy: 0.518
local terms energy: -27.072476
where:
bonds (distance) C4'-P energy: -5.768
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -8.923
flat angles P-C4'-P energy: -7.549
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: 3, replica: 6
=====================================
Write number: 59
Temperature: 2.383333
Total energy: -36.952629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.952629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.952629 (E_RNA)
where:
Base-Base interactions energy: -3.121
where: short stacking energy: -2.020
Base-Backbone interact. energy: -0.293
local terms energy: -33.538636
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -4.232
tors. eta vs tors. theta energy: 10.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 2.400000
Total energy: -38.400702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.400702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.400702 (E_RNA)
where:
Base-Base interactions energy: -8.455
where: short stacking energy: -8.046
Base-Backbone interact. energy: 0.892
local terms energy: -30.837863
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -2.877
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: 7.358
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: 59
Temperature: 2.416667
Total energy: -35.654643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.654643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.654643 (E_RNA)
where:
Base-Base interactions energy: -4.390
where: short stacking energy: -2.139
Base-Backbone interact. energy: -0.272
local terms energy: -30.993244
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -9.275
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: 6.199
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: 8
=====================================
Write number: 59
Temperature: 2.433333
Total energy: -43.156206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.156206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.156206 (E_RNA)
where:
Base-Base interactions energy: -3.387
where: short stacking energy: -2.760
Base-Backbone interact. energy: 0.613
local terms energy: -40.381901
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -16.493
flat angles C4'-P-C4' energy: -3.812
flat angles P-C4'-P energy: -0.610
tors. eta vs tors. theta energy: 1.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 59
Temperature: 2.450000
Total energy: -44.140586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.140586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.140586 (E_RNA)
where:
Base-Base interactions energy: -4.256
where: short stacking energy: -4.154
Base-Backbone interact. energy: -0.490
local terms energy: -39.394586
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -9.497
flat angles P-C4'-P energy: -8.167
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: 8, replica: 5
=====================================
Write number: 59
Temperature: 2.466667
Total energy: -37.204137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.204137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.204137 (E_RNA)
where:
Base-Base interactions energy: -11.904
where: short stacking energy: -10.730
Base-Backbone interact. energy: 1.100
local terms energy: -26.399945
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -6.557
flat angles C4'-P-C4' energy: -1.155
flat angles P-C4'-P energy: -6.647
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: 9
=====================================
Write number: 59
Temperature: 2.483333
Total energy: -40.117927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.117927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.117927 (E_RNA)
where:
Base-Base interactions energy: -13.079
where: short stacking energy: -10.216
Base-Backbone interact. energy: -0.935
local terms energy: -26.103941
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -8.111
flat angles C4'-P-C4' energy: -6.240
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: 5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 59
Temperature: 2.500000
Total energy: -36.299902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.299902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.299902 (E_RNA)
where:
Base-Base interactions energy: -1.844
where: short stacking energy: -2.035
Base-Backbone interact. energy: 1.251
local terms energy: -35.706470
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -6.052
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: 8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 60
Temperature: 2.350000
Total energy: -36.926147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.926147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.926147 (E_RNA)
where:
Base-Base interactions energy: -0.667
where: short stacking energy: -0.667
Base-Backbone interact. energy: 0.433
local terms energy: -36.691608
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -3.934
tors. eta vs tors. theta energy: 5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 60
Temperature: 2.366667
Total energy: -42.631903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.631903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.631903 (E_RNA)
where:
Base-Base interactions energy: -2.974
where: short stacking energy: -2.974
Base-Backbone interact. energy: -0.444
local terms energy: -39.213927
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -7.587
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: 3, replica: 1
=====================================
Write number: 60
Temperature: 2.383333
Total energy: -40.667929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.667929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.667929 (E_RNA)
where:
Base-Base interactions energy: -9.600
where: short stacking energy: -6.509
Base-Backbone interact. energy: 2.196
local terms energy: -33.263352
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -6.004
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: 8.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 60
Temperature: 2.400000
Total energy: -38.857536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.857536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.857536 (E_RNA)
where:
Base-Base interactions energy: -3.907
where: short stacking energy: -2.398
Base-Backbone interact. energy: -0.774
local terms energy: -34.176656
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -8.109
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -9.628
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: 5, replica: 8
=====================================
Write number: 60
Temperature: 2.416667
Total energy: -36.292054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.292054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.292054 (E_RNA)
where:
Base-Base interactions energy: -6.941
where: short stacking energy: -5.477
Base-Backbone interact. energy: -0.954
local terms energy: -28.397042
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -8.470
flat angles C4'-P-C4' energy: -9.268
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: 4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 60
Temperature: 2.433333
Total energy: -36.422552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.422552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.422552 (E_RNA)
where:
Base-Base interactions energy: -4.480
where: short stacking energy: -0.554
Base-Backbone interact. energy: -0.618
local terms energy: -31.325093
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -5.841
flat angles P-C4'-P energy: -0.859
tors. eta vs tors. theta energy: 4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 60
Temperature: 2.450000
Total energy: -40.857110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.857110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.857110 (E_RNA)
where:
Base-Base interactions energy: -7.566
where: short stacking energy: -5.912
Base-Backbone interact. energy: -0.605
local terms energy: -32.686361
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -3.528
flat angles P-C4'-P energy: -2.469
tors. eta vs tors. theta energy: 4.595
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: 8, replica: 10
=====================================
Write number: 60
Temperature: 2.466667
Total energy: -38.700110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.700110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.700110 (E_RNA)
where:
Base-Base interactions energy: -12.685
where: short stacking energy: -12.685
Base-Backbone interact. energy: 0.150
local terms energy: -26.164830
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -6.403
flat angles P-C4'-P energy: -3.392
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: 9, replica: 3
=====================================
Write number: 60
Temperature: 2.483333
Total energy: -35.519104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.519104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.519104 (E_RNA)
where:
Base-Base interactions energy: -5.986
where: short stacking energy: -5.432
Base-Backbone interact. energy: -0.067
local terms energy: -29.466679
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -5.948
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: 6.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 2.500000
Total energy: -33.487362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.487362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.487362 (E_RNA)
where:
Base-Base interactions energy: -7.831
where: short stacking energy: -6.243
Base-Backbone interact. energy: -0.153
local terms energy: -25.502704
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -4.352
flat angles P-C4'-P energy: -5.365
tors. eta vs tors. theta energy: 8.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 61
Temperature: 2.350000
Total energy: -37.505612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.505612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.505612 (E_RNA)
where:
Base-Base interactions energy: -8.584
where: short stacking energy: -4.248
Base-Backbone interact. energy: -0.912
local terms energy: -28.009922
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -2.724
flat angles C4'-P-C4' energy: -8.708
flat angles P-C4'-P energy: -8.770
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: 2, replica: 1
=====================================
Write number: 61
Temperature: 2.366667
Total energy: -42.620696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.620696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.620696 (E_RNA)
where:
Base-Base interactions energy: -12.658
where: short stacking energy: -8.796
Base-Backbone interact. energy: -0.142
local terms energy: -29.820832
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -4.218
flat angles P-C4'-P energy: -5.108
tors. eta vs tors. theta energy: 0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 2.383333
Total energy: -40.241442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.241442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.241442 (E_RNA)
where:
Base-Base interactions energy: -9.747
where: short stacking energy: -8.814
Base-Backbone interact. energy: -0.285
local terms energy: -30.209421
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -4.480
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: 11.641
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: 4, replica: 8
=====================================
Write number: 61
Temperature: 2.400000
Total energy: -37.838498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.838498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.838498 (E_RNA)
where:
Base-Base interactions energy: -9.285
where: short stacking energy: -9.217
Base-Backbone interact. energy: -0.003
local terms energy: -28.550351
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -7.941
flat angles C4'-P-C4' energy: -2.031
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: 0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 2.416667
Total energy: -39.730456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.730456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.730456 (E_RNA)
where:
Base-Base interactions energy: -11.724
where: short stacking energy: -11.240
Base-Backbone interact. energy: 1.458
local terms energy: -29.464353
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -7.948
flat angles P-C4'-P energy: -4.359
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: 5
=====================================
Write number: 61
Temperature: 2.433333
Total energy: -36.118812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.118812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.118812 (E_RNA)
where:
Base-Base interactions energy: -3.694
where: short stacking energy: -3.694
Base-Backbone interact. energy: -0.222
local terms energy: -32.203380
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -5.020
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: 2
=====================================
Write number: 61
Temperature: 2.450000
Total energy: -38.913565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.913565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.913565 (E_RNA)
where:
Base-Base interactions energy: -6.528
where: short stacking energy: -6.820
Base-Backbone interact. energy: -0.203
local terms energy: -32.182218
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -6.964
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: 8, replica: 3
=====================================
Write number: 61
Temperature: 2.466667
Total energy: -33.433154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.433154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.433154 (E_RNA)
where:
Base-Base interactions energy: -11.978
where: short stacking energy: -8.455
Base-Backbone interact. energy: -0.474
local terms energy: -20.981436
where:
bonds (distance) C4'-P energy: -7.425
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -4.376
flat angles P-C4'-P energy: -3.626
tors. eta vs tors. theta energy: 5.643
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: 10
=====================================
Write number: 61
Temperature: 2.483333
Total energy: -36.816668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.816668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.816668 (E_RNA)
where:
Base-Base interactions energy: -4.957
where: short stacking energy: -4.686
Base-Backbone interact. energy: 0.564
local terms energy: -32.423458
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -3.351
tors. eta vs tors. theta energy: 8.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 2.500000
Total energy: -36.279851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.279851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.279851 (E_RNA)
where:
Base-Base interactions energy: -9.569
where: short stacking energy: -9.569
Base-Backbone interact. energy: 2.285
local terms energy: -28.995238
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -2.943
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: 6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 2.350000
Total energy: -41.814481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.814481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.814481 (E_RNA)
where:
Base-Base interactions energy: -7.105
where: short stacking energy: -7.105
Base-Backbone interact. energy: -0.114
local terms energy: -34.594875
where:
bonds (distance) C4'-P energy: -8.021
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -9.033
flat angles P-C4'-P energy: -6.588
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: 2, replica: 7
=====================================
Write number: 62
Temperature: 2.366667
Total energy: -45.529626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.529626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.529626 (E_RNA)
where:
Base-Base interactions energy: -10.587
where: short stacking energy: -11.805
Base-Backbone interact. energy: -0.084
local terms energy: -34.858364
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -10.998
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: 6.435
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: 3, replica: 8
=====================================
Write number: 62
Temperature: 2.383333
Total energy: -36.846163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.846163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.846163 (E_RNA)
where:
Base-Base interactions energy: -10.072
where: short stacking energy: -7.259
Base-Backbone interact. energy: -0.300
local terms energy: -26.473518
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -4.712
flat angles P-C4'-P energy: -5.455
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: 4, replica: 4
=====================================
Write number: 62
Temperature: 2.400000
Total energy: -41.434368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.434368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.434368 (E_RNA)
where:
Base-Base interactions energy: -1.410
where: short stacking energy: -1.301
Base-Backbone interact. energy: 0.912
local terms energy: -40.936250
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -5.681
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: 12.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 62
Temperature: 2.416667
Total energy: -35.897096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.897096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.897096 (E_RNA)
where:
Base-Base interactions energy: -3.074
where: short stacking energy: -2.011
Base-Backbone interact. energy: -0.583
local terms energy: -32.239735
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -0.900
tors. eta vs tors. theta energy: 8.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 2.433333
Total energy: -45.050837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.050837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.050837 (E_RNA)
where:
Base-Base interactions energy: -7.915
where: short stacking energy: -6.194
Base-Backbone interact. energy: -0.288
local terms energy: -36.847067
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: 9.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 62
Temperature: 2.450000
Total energy: -33.250501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.250501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.250501 (E_RNA)
where:
Base-Base interactions energy: -5.934
where: short stacking energy: -1.928
Base-Backbone interact. energy: -0.107
local terms energy: -27.209699
where:
bonds (distance) C4'-P energy: -4.865
bonds (distance) P-C4' energy: -10.956
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: 10.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 62
Temperature: 2.466667
Total energy: -39.128784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.128784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.128784 (E_RNA)
where:
Base-Base interactions energy: -10.057
where: short stacking energy: -6.225
Base-Backbone interact. energy: 0.726
local terms energy: -29.797787
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -8.569
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: 10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 62
Temperature: 2.483333
Total energy: -39.638253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.638253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.638253 (E_RNA)
where:
Base-Base interactions energy: -13.459
where: short stacking energy: -13.087
Base-Backbone interact. energy: -0.173
local terms energy: -26.005672
where:
bonds (distance) C4'-P energy: -6.598
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -4.081
flat angles P-C4'-P energy: -1.763
tors. eta vs tors. theta energy: 1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 62
Temperature: 2.500000
Total energy: -37.216877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.216877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.216877 (E_RNA)
where:
Base-Base interactions energy: -8.577
where: short stacking energy: -8.577
Base-Backbone interact. energy: 2.040
local terms energy: -30.679582
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -9.701
flat angles C4'-P-C4' energy: -3.901
flat angles P-C4'-P energy: -8.023
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: 1
=====================================
Write number: 63
Temperature: 2.350000
Total energy: -38.003694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.003694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.003694 (E_RNA)
where:
Base-Base interactions energy: -4.195
where: short stacking energy: -1.960
Base-Backbone interact. energy: -0.061
local terms energy: -33.747768
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -5.867
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: 9.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 63
Temperature: 2.366667
Total energy: -38.707875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.707875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.707875 (E_RNA)
where:
Base-Base interactions energy: -8.512
where: short stacking energy: -7.891
Base-Backbone interact. energy: 2.971
local terms energy: -33.167098
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: 0.826
tors. eta vs tors. theta energy: 6.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 63
Temperature: 2.383333
Total energy: -38.331949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.331949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.331949 (E_RNA)
where:
Base-Base interactions energy: -11.575
where: short stacking energy: -11.575
Base-Backbone interact. energy: 0.191
local terms energy: -26.948599
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -7.475
flat angles C4'-P-C4' energy: -0.763
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: 5.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 2.400000
Total energy: -38.751434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.751434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.751434 (E_RNA)
where:
Base-Base interactions energy: -13.491
where: short stacking energy: -12.543
Base-Backbone interact. energy: -0.533
local terms energy: -24.726666
where:
bonds (distance) C4'-P energy: -5.800
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -1.224
tors. eta vs tors. theta energy: 5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 63
Temperature: 2.416667
Total energy: -36.109555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.109555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.109555 (E_RNA)
where:
Base-Base interactions energy: -3.617
where: short stacking energy: -3.413
Base-Backbone interact. energy: -0.801
local terms energy: -31.690914
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -8.142
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: 7.951
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: 3
=====================================
Write number: 63
Temperature: 2.433333
Total energy: -34.219427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.219427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.219427 (E_RNA)
where:
Base-Base interactions energy: -5.198
where: short stacking energy: -3.739
Base-Backbone interact. energy: -0.322
local terms energy: -28.699821
where:
bonds (distance) C4'-P energy: -10.398
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -7.047
flat angles P-C4'-P energy: -1.481
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: 7, replica: 6
=====================================
Write number: 63
Temperature: 2.450000
Total energy: -38.056642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.056642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.056642 (E_RNA)
where:
Base-Base interactions energy: -9.966
where: short stacking energy: -8.178
Base-Backbone interact. energy: 0.090
local terms energy: -28.180064
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -2.569
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: 4.998
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: 63
Temperature: 2.466667
Total energy: -42.758094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.758094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.758094 (E_RNA)
where:
Base-Base interactions energy: -7.077
where: short stacking energy: -3.531
Base-Backbone interact. energy: -0.234
local terms energy: -35.447063
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: 11.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 63
Temperature: 2.483333
Total energy: -40.620767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.620767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.620767 (E_RNA)
where:
Base-Base interactions energy: -11.851
where: short stacking energy: -11.742
Base-Backbone interact. energy: 3.509
local terms energy: -32.278969
where:
bonds (distance) C4'-P energy: -7.117
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -7.243
flat angles P-C4'-P energy: -3.712
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: 10, replica: 10
=====================================
Write number: 63
Temperature: 2.500000
Total energy: -37.214189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.214189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.214189 (E_RNA)
where:
Base-Base interactions energy: -7.148
where: short stacking energy: -2.506
Base-Backbone interact. energy: -0.144
local terms energy: -29.922859
where:
bonds (distance) C4'-P energy: -7.918
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -0.953
tors. eta vs tors. theta energy: 3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 64
Temperature: 2.350000
Total energy: -33.213201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.213201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.213201 (E_RNA)
where:
Base-Base interactions energy: -3.370
where: short stacking energy: -3.370
Base-Backbone interact. energy: 0.455
local terms energy: -30.298001
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -10.769
flat angles P-C4'-P energy: 2.457
tors. eta vs tors. theta energy: 11.726
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: 2, replica: 1
=====================================
Write number: 64
Temperature: 2.366667
Total energy: -37.345899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.345899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.345899 (E_RNA)
where:
Base-Base interactions energy: -1.962
where: short stacking energy: -1.962
Base-Backbone interact. energy: -0.966
local terms energy: -34.417958
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -4.443
tors. eta vs tors. theta energy: 10.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 64
Temperature: 2.383333
Total energy: -35.476512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.476512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.476512 (E_RNA)
where:
Base-Base interactions energy: -6.544
where: short stacking energy: -6.157
Base-Backbone interact. energy: -0.437
local terms energy: -28.496215
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -5.236
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: 10.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 64
Temperature: 2.400000
Total energy: -34.229510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.229510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.229510 (E_RNA)
where:
Base-Base interactions energy: -6.287
where: short stacking energy: -0.956
Base-Backbone interact. energy: 1.440
local terms energy: -29.382726
where:
bonds (distance) C4'-P energy: -7.673
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: -2.078
tors. eta vs tors. theta energy: 5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 64
Temperature: 2.416667
Total energy: -36.787756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.787756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.787756 (E_RNA)
where:
Base-Base interactions energy: -16.890
where: short stacking energy: -15.458
Base-Backbone interact. energy: -0.213
local terms energy: -19.684513
where:
bonds (distance) C4'-P energy: -3.262
bonds (distance) P-C4' energy: -9.405
flat angles C4'-P-C4' energy: -7.837
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: 6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 64
Temperature: 2.433333
Total energy: -42.553938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.553938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.553938 (E_RNA)
where:
Base-Base interactions energy: -3.150
where: short stacking energy: -3.570
Base-Backbone interact. energy: 1.415
local terms energy: -40.819720
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -8.362
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: 5.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 64
Temperature: 2.450000
Total energy: -35.253868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.253868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.253868 (E_RNA)
where:
Base-Base interactions energy: -6.524
where: short stacking energy: -6.018
Base-Backbone interact. energy: -0.725
local terms energy: -28.005355
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: 0.651
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: 8, replica: 6
=====================================
Write number: 64
Temperature: 2.466667
Total energy: -32.043142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.043142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.043142 (E_RNA)
where:
Base-Base interactions energy: -3.823
where: short stacking energy: -3.823
Base-Backbone interact. energy: -0.491
local terms energy: -27.728605
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -9.183
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: 9.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 64
Temperature: 2.483333
Total energy: -36.921416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.921416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.921416 (E_RNA)
where:
Base-Base interactions energy: -1.240
where: short stacking energy: -0.952
Base-Backbone interact. energy: -0.521
local terms energy: -35.159662
where:
bonds (distance) C4'-P energy: -8.336
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: 5.658
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: 2
=====================================
Write number: 64
Temperature: 2.500000
Total energy: -38.067169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.067169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.067169 (E_RNA)
where:
Base-Base interactions energy: -5.061
where: short stacking energy: -4.686
Base-Backbone interact. energy: 0.940
local terms energy: -33.946900
where:
bonds (distance) C4'-P energy: -4.188
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -6.568
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: 1, replica: 8
=====================================
Write number: 65
Temperature: 2.350000
Total energy: -40.162412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.162412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.162412 (E_RNA)
where:
Base-Base interactions energy: -6.370
where: short stacking energy: -6.424
Base-Backbone interact. energy: 0.160
local terms energy: -33.952545
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -7.554
flat angles P-C4'-P energy: -2.018
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: 2, replica: 5
=====================================
Write number: 65
Temperature: 2.366667
Total energy: -38.360349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.360349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.360349 (E_RNA)
where:
Base-Base interactions energy: -3.781
where: short stacking energy: -3.781
Base-Backbone interact. energy: -0.302
local terms energy: -34.277304
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -3.060
tors. eta vs tors. theta energy: 8.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 2.383333
Total energy: -38.893588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.893588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.893588 (E_RNA)
where:
Base-Base interactions energy: -1.879
where: short stacking energy: -1.103
Base-Backbone interact. energy: 0.117
local terms energy: -37.130951
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: 6.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 65
Temperature: 2.400000
Total energy: -38.161586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.161586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.161586 (E_RNA)
where:
Base-Base interactions energy: -7.521
where: short stacking energy: -9.221
Base-Backbone interact. energy: 1.521
local terms energy: -32.160989
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -7.285
flat angles P-C4'-P energy: -2.116
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: 5, replica: 7
=====================================
Write number: 65
Temperature: 2.416667
Total energy: -37.848605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.848605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.848605 (E_RNA)
where:
Base-Base interactions energy: -7.065
where: short stacking energy: -7.917
Base-Backbone interact. energy: 0.173
local terms energy: -30.956213
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -10.709
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: 9.471
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: 9
=====================================
Write number: 65
Temperature: 2.433333
Total energy: -35.597142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.597142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.597142 (E_RNA)
where:
Base-Base interactions energy: -4.043
where: short stacking energy: -3.292
Base-Backbone interact. energy: -0.425
local terms energy: -31.128862
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -8.540
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: 10.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 65
Temperature: 2.450000
Total energy: -42.616046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.616046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.616046 (E_RNA)
where:
Base-Base interactions energy: -9.199
where: short stacking energy: -7.312
Base-Backbone interact. energy: -0.565
local terms energy: -32.852502
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -4.523
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: 7.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 65
Temperature: 2.466667
Total energy: -34.019235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.019235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.019235 (E_RNA)
where:
Base-Base interactions energy: -4.342
where: short stacking energy: -6.448
Base-Backbone interact. energy: -1.998
local terms energy: -27.679617
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -8.549
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -1.716
tors. eta vs tors. theta energy: 7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 2.483333
Total energy: -35.414124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.414124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.414124 (E_RNA)
where:
Base-Base interactions energy: -6.368
where: short stacking energy: -6.971
Base-Backbone interact. energy: 0.196
local terms energy: -29.241840
where:
bonds (distance) C4'-P energy: -8.511
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -0.808
tors. eta vs tors. theta energy: 7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 65
Temperature: 2.500000
Total energy: -37.131199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.131199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.131199 (E_RNA)
where:
Base-Base interactions energy: -6.799
where: short stacking energy: -3.199
Base-Backbone interact. energy: -0.161
local terms energy: -30.171251
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -3.104
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: 8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 66
Temperature: 2.350000
Total energy: -43.117546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.117546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.117546 (E_RNA)
where:
Base-Base interactions energy: -5.307
where: short stacking energy: -3.762
Base-Backbone interact. energy: -0.329
local terms energy: -37.481417
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -4.847
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: 6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 66
Temperature: 2.366667
Total energy: -39.190938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.190938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.190938 (E_RNA)
where:
Base-Base interactions energy: -7.529
where: short stacking energy: -7.629
Base-Backbone interact. energy: 2.963
local terms energy: -34.624615
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -9.432
flat angles C4'-P-C4' energy: -6.671
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: 6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 66
Temperature: 2.383333
Total energy: -40.577614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.577614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.577614 (E_RNA)
where:
Base-Base interactions energy: -7.390
where: short stacking energy: -5.499
Base-Backbone interact. energy: -0.069
local terms energy: -33.118716
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -1.496
tors. eta vs tors. theta energy: 6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 66
Temperature: 2.400000
Total energy: -35.266435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.266435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.266435 (E_RNA)
where:
Base-Base interactions energy: -5.861
where: short stacking energy: -5.861
Base-Backbone interact. energy: -0.264
local terms energy: -29.142093
where:
bonds (distance) C4'-P energy: -5.643
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -3.080
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: 4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 66
Temperature: 2.416667
Total energy: -33.019847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.019847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.019847 (E_RNA)
where:
Base-Base interactions energy: -3.709
where: short stacking energy: -2.366
Base-Backbone interact. energy: -0.877
local terms energy: -28.434096
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -16.493
flat angles C4'-P-C4' energy: -7.285
flat angles P-C4'-P energy: -3.811
tors. eta vs tors. theta energy: 9.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 66
Temperature: 2.433333
Total energy: -35.978407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.978407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.978407 (E_RNA)
where:
Base-Base interactions energy: -3.254
where: short stacking energy: -0.368
Base-Backbone interact. energy: 1.073
local terms energy: -33.797814
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: 9.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 2.450000
Total energy: -42.577535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.577535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.577535 (E_RNA)
where:
Base-Base interactions energy: -10.861
where: short stacking energy: -10.861
Base-Backbone interact. energy: -0.207
local terms energy: -31.509488
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -8.799
flat angles C4'-P-C4' energy: -1.091
flat angles P-C4'-P energy: -9.319
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: 8, replica: 4
=====================================
Write number: 66
Temperature: 2.466667
Total energy: -34.800555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.800555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.800555 (E_RNA)
where:
Base-Base interactions energy: -6.181
where: short stacking energy: -4.692
Base-Backbone interact. energy: -0.104
local terms energy: -28.514726
where:
bonds (distance) C4'-P energy: -4.816
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -4.115
tors. eta vs tors. theta energy: 6.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 66
Temperature: 2.483333
Total energy: -36.913620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.913620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.913620 (E_RNA)
where:
Base-Base interactions energy: -9.460
where: short stacking energy: -5.208
Base-Backbone interact. energy: -0.392
local terms energy: -27.062406
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -0.217
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: 11.055
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: 10, replica: 6
=====================================
Write number: 66
Temperature: 2.500000
Total energy: -39.768263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.768263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.768263 (E_RNA)
where:
Base-Base interactions energy: -11.589
where: short stacking energy: -10.096
Base-Backbone interact. energy: -0.416
local terms energy: -27.762787
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -7.244
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -2.716
tors. eta vs tors. theta energy: 9.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 67
Temperature: 2.350000
Total energy: -38.974329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.974329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.974329 (E_RNA)
where:
Base-Base interactions energy: -5.705
where: short stacking energy: -4.176
Base-Backbone interact. energy: 0.009
local terms energy: -33.277793
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -7.165
flat angles C4'-P-C4' energy: -7.504
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: 7.153
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: 2, replica: 3
=====================================
Write number: 67
Temperature: 2.366667
Total energy: -38.808896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.808896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.808896 (E_RNA)
where:
Base-Base interactions energy: -8.458
where: short stacking energy: -8.305
Base-Backbone interact. energy: -0.447
local terms energy: -29.903383
where:
bonds (distance) C4'-P energy: -8.489
bonds (distance) P-C4' energy: -9.943
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: 8.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 67
Temperature: 2.383333
Total energy: -38.430365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.430365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.430365 (E_RNA)
where:
Base-Base interactions energy: -15.798
where: short stacking energy: -13.296
Base-Backbone interact. energy: -0.415
local terms energy: -22.216645
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: 0.961
tors. eta vs tors. theta energy: 7.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 67
Temperature: 2.400000
Total energy: -36.125069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.125069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.125069 (E_RNA)
where:
Base-Base interactions energy: -7.796
where: short stacking energy: -6.787
Base-Backbone interact. energy: -0.308
local terms energy: -28.021044
where:
bonds (distance) C4'-P energy: -7.963
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: 11.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 67
Temperature: 2.416667
Total energy: -38.340896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.340896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.340896 (E_RNA)
where:
Base-Base interactions energy: -2.011
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.097
local terms energy: -36.233134
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -8.372
flat angles P-C4'-P energy: -4.695
tors. eta vs tors. theta energy: 11.794
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: 67
Temperature: 2.433333
Total energy: -42.533945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.533945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.533945 (E_RNA)
where:
Base-Base interactions energy: -1.177
where: short stacking energy: -1.177
Base-Backbone interact. energy: -0.095
local terms energy: -41.261527
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -7.686
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: 1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 67
Temperature: 2.450000
Total energy: -39.143438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.143438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.143438 (E_RNA)
where:
Base-Base interactions energy: -11.180
where: short stacking energy: -6.798
Base-Backbone interact. energy: -0.349
local terms energy: -27.614070
where:
bonds (distance) C4'-P energy: -8.043
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -3.858
flat angles P-C4'-P energy: -4.066
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: 8, replica: 2
=====================================
Write number: 67
Temperature: 2.466667
Total energy: -29.447361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.447361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.447361 (E_RNA)
where:
Base-Base interactions energy: -0.445
where: short stacking energy: -0.445
Base-Backbone interact. energy: 5.099
local terms energy: -34.101423
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -9.191
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: 9.180
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: 4
=====================================
Write number: 67
Temperature: 2.483333
Total energy: -35.106137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.106137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.106137 (E_RNA)
where:
Base-Base interactions energy: -11.901
where: short stacking energy: -9.243
Base-Backbone interact. energy: -0.224
local terms energy: -22.981148
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -2.352
flat angles P-C4'-P energy: 2.179
tors. eta vs tors. theta energy: 1.904
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: 10, replica: 6
=====================================
Write number: 67
Temperature: 2.500000
Total energy: -34.899648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.899648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.899648 (E_RNA)
where:
Base-Base interactions energy: -7.247
where: short stacking energy: -6.695
Base-Backbone interact. energy: -0.381
local terms energy: -27.271561
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -7.542
flat angles C4'-P-C4' energy: -7.842
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: 7.613
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: 3
=====================================
Write number: 68
Temperature: 2.350000
Total energy: -39.402708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.402708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.402708 (E_RNA)
where:
Base-Base interactions energy: -6.144
where: short stacking energy: -6.959
Base-Backbone interact. energy: 0.269
local terms energy: -33.528526
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -5.503
tors. eta vs tors. theta energy: 9.327
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: 5
=====================================
Write number: 68
Temperature: 2.366667
Total energy: -33.806616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.806616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.806616 (E_RNA)
where:
Base-Base interactions energy: -15.316
where: short stacking energy: -12.618
Base-Backbone interact. energy: -0.388
local terms energy: -18.103271
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -4.949
flat angles P-C4'-P energy: 1.553
tors. eta vs tors. theta energy: 10.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 68
Temperature: 2.383333
Total energy: -40.000554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.000554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.000554 (E_RNA)
where:
Base-Base interactions energy: -4.631
where: short stacking energy: -1.079
Base-Backbone interact. energy: -0.107
local terms energy: -35.262144
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -8.373
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: 5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 68
Temperature: 2.400000
Total energy: -36.002771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.002771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.002771 (E_RNA)
where:
Base-Base interactions energy: -10.159
where: short stacking energy: -8.116
Base-Backbone interact. energy: -0.218
local terms energy: -25.625301
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -3.648
flat angles C4'-P-C4' energy: -9.591
flat angles P-C4'-P energy: -6.335
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: 10
=====================================
Write number: 68
Temperature: 2.416667
Total energy: -36.567865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.567865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.567865 (E_RNA)
where:
Base-Base interactions energy: -15.571
where: short stacking energy: -15.441
Base-Backbone interact. energy: 0.313
local terms energy: -21.310060
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -8.926
flat angles C4'-P-C4' energy: -0.581
flat angles P-C4'-P energy: -3.166
tors. eta vs tors. theta energy: 1.477
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: 6, replica: 1
=====================================
Write number: 68
Temperature: 2.433333
Total energy: -35.570484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.570484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.570484 (E_RNA)
where:
Base-Base interactions energy: -4.722
where: short stacking energy: -1.718
Base-Backbone interact. energy: -0.067
local terms energy: -30.781645
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: 4.491
tors. eta vs tors. theta energy: 7.955
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: 68
Temperature: 2.450000
Total energy: -38.548561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.548561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.548561 (E_RNA)
where:
Base-Base interactions energy: -6.032
where: short stacking energy: -8.648
Base-Backbone interact. energy: -0.650
local terms energy: -31.865735
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -7.087
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: 9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 68
Temperature: 2.466667
Total energy: -40.128544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.128544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.128544 (E_RNA)
where:
Base-Base interactions energy: -5.853
where: short stacking energy: -3.604
Base-Backbone interact. energy: 0.240
local terms energy: -34.514995
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: 1.292
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: 9, replica: 6
=====================================
Write number: 68
Temperature: 2.483333
Total energy: -44.778754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.778754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.778754 (E_RNA)
where:
Base-Base interactions energy: -9.051
where: short stacking energy: -10.736
Base-Backbone interact. energy: -0.304
local terms energy: -35.424313
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -3.592
flat angles P-C4'-P energy: -5.362
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: 10, replica: 4
=====================================
Write number: 68
Temperature: 2.500000
Total energy: -28.699386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.699386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.699386 (E_RNA)
where:
Base-Base interactions energy: -2.552
where: short stacking energy: -3.046
Base-Backbone interact. energy: -0.868
local terms energy: -25.279276
where:
bonds (distance) C4'-P energy: -5.031
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -5.772
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: 1, replica: 3
=====================================
Write number: 69
Temperature: 2.350000
Total energy: -42.760766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.760766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.760766 (E_RNA)
where:
Base-Base interactions energy: -7.863
where: short stacking energy: -7.714
Base-Backbone interact. energy: -0.524
local terms energy: -34.373804
where:
bonds (distance) C4'-P energy: -18.510
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -3.504
flat angles P-C4'-P energy: -1.529
tors. eta vs tors. theta energy: 3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 69
Temperature: 2.366667
Total energy: -39.565695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.565695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.565695 (E_RNA)
where:
Base-Base interactions energy: -5.065
where: short stacking energy: -5.301
Base-Backbone interact. energy: -0.303
local terms energy: -34.197576
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: 6.835
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: 5
=====================================
Write number: 69
Temperature: 2.383333
Total energy: -34.233793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.233793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.233793 (E_RNA)
where:
Base-Base interactions energy: -2.413
where: short stacking energy: -2.413
Base-Backbone interact. energy: 2.625
local terms energy: -34.446068
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -8.159
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -4.115
tors. eta vs tors. theta energy: 5.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 69
Temperature: 2.400000
Total energy: -33.096350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.096350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.096350 (E_RNA)
where:
Base-Base interactions energy: -2.169
where: short stacking energy: -2.130
Base-Backbone interact. energy: 0.813
local terms energy: -31.740805
where:
bonds (distance) C4'-P energy: -7.966
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: 2.224
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: 5, replica: 8
=====================================
Write number: 69
Temperature: 2.416667
Total energy: -37.693508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.693508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.693508 (E_RNA)
where:
Base-Base interactions energy: -7.520
where: short stacking energy: -4.723
Base-Backbone interact. energy: -0.201
local terms energy: -29.971764
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -8.739
flat angles C4'-P-C4' energy: -8.379
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: 10.495
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: 2
=====================================
Write number: 69
Temperature: 2.433333
Total energy: -44.649291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.649291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.649291 (E_RNA)
where:
Base-Base interactions energy: -11.859
where: short stacking energy: -11.859
Base-Backbone interact. energy: 0.013
local terms energy: -32.803828
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -10.504
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -0.991
tors. eta vs tors. theta energy: 9.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 69
Temperature: 2.450000
Total energy: -40.728242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.728242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.728242 (E_RNA)
where:
Base-Base interactions energy: -7.728
where: short stacking energy: -4.909
Base-Backbone interact. energy: 0.344
local terms energy: -33.344566
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -7.317
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: 9.870
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: 69
Temperature: 2.466667
Total energy: -36.717671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.717671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.717671 (E_RNA)
where:
Base-Base interactions energy: 3.200
where: short stacking energy: -1.490
Base-Backbone interact. energy: -0.924
local terms energy: -38.993557
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -0.857
tors. eta vs tors. theta energy: 5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 69
Temperature: 2.483333
Total energy: -42.107946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.107946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.107946 (E_RNA)
where:
Base-Base interactions energy: -9.841
where: short stacking energy: -7.044
Base-Backbone interact. energy: -0.540
local terms energy: -31.727147
where:
bonds (distance) C4'-P energy: -3.648
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: 9.673
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: 4
=====================================
Write number: 69
Temperature: 2.500000
Total energy: -39.121650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.121650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.121650 (E_RNA)
where:
Base-Base interactions energy: -4.654
where: short stacking energy: -4.560
Base-Backbone interact. energy: -1.569
local terms energy: -32.898239
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -7.781
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: 10.227
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: 9
=====================================
Write number: 70
Temperature: 2.350000
Total energy: -36.579690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.579690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.579690 (E_RNA)
where:
Base-Base interactions energy: -10.160
where: short stacking energy: -6.656
Base-Backbone interact. energy: -0.441
local terms energy: -25.978197
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -7.917
flat angles C4'-P-C4' energy: -3.239
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: 9.781
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: 3
=====================================
Write number: 70
Temperature: 2.366667
Total energy: -36.631665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.631665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.631665 (E_RNA)
where:
Base-Base interactions energy: -7.366
where: short stacking energy: -4.159
Base-Backbone interact. energy: -0.427
local terms energy: -28.838533
where:
bonds (distance) C4'-P energy: -8.846
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -0.333
tors. eta vs tors. theta energy: 9.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 70
Temperature: 2.383333
Total energy: -39.273586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.273586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.273586 (E_RNA)
where:
Base-Base interactions energy: -3.306
where: short stacking energy: -2.796
Base-Backbone interact. energy: 0.494
local terms energy: -36.461375
where:
bonds (distance) C4'-P energy: -7.649
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -9.009
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: 3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 70
Temperature: 2.400000
Total energy: -44.800139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.800139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.800139 (E_RNA)
where:
Base-Base interactions energy: -7.965
where: short stacking energy: -7.620
Base-Backbone interact. energy: -0.120
local terms energy: -36.714780
where:
bonds (distance) C4'-P energy: -9.293
bonds (distance) P-C4' energy: -9.407
flat angles C4'-P-C4' energy: -8.587
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: 1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 70
Temperature: 2.416667
Total energy: -36.338711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.338711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.338711 (E_RNA)
where:
Base-Base interactions energy: -5.730
where: short stacking energy: -3.408
Base-Backbone interact. energy: -0.204
local terms energy: -30.404925
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -7.761
flat angles P-C4'-P energy: -1.607
tors. eta vs tors. theta energy: 7.031
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: 8
=====================================
Write number: 70
Temperature: 2.433333
Total energy: -32.845777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.845777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.845777 (E_RNA)
where:
Base-Base interactions energy: -4.920
where: short stacking energy: 0.000
Base-Backbone interact. energy: 0.718
local terms energy: -28.643886
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -7.620
flat angles P-C4'-P energy: -1.810
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: 7, replica: 6
=====================================
Write number: 70
Temperature: 2.450000
Total energy: -31.065999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.065999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.065999 (E_RNA)
where:
Base-Base interactions energy: -10.724
where: short stacking energy: -6.674
Base-Backbone interact. energy: -0.287
local terms energy: -20.055564
where:
bonds (distance) C4'-P energy: -8.465
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -5.054
flat angles P-C4'-P energy: 4.514
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: 8, replica: 1
=====================================
Write number: 70
Temperature: 2.466667
Total energy: -45.766647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.766647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.766647 (E_RNA)
where:
Base-Base interactions energy: -13.715
where: short stacking energy: -12.235
Base-Backbone interact. energy: 0.330
local terms energy: -32.381663
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -3.493
flat angles P-C4'-P energy: -4.108
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: 9, replica: 4
=====================================
Write number: 70
Temperature: 2.483333
Total energy: -41.272567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.272567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.272567 (E_RNA)
where:
Base-Base interactions energy: -15.323
where: short stacking energy: -12.454
Base-Backbone interact. energy: -0.335
local terms energy: -25.613979
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: 3.114
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: 1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 70
Temperature: 2.500000
Total energy: -34.424254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.424254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.424254 (E_RNA)
where:
Base-Base interactions energy: -1.634
where: short stacking energy: -1.510
Base-Backbone interact. energy: -0.350
local terms energy: -32.439377
where:
bonds (distance) C4'-P energy: -8.327
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -7.731
flat angles P-C4'-P energy: -3.398
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: 1, replica: 9
=====================================
Write number: 71
Temperature: 2.350000
Total energy: -41.448355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.448355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.448355 (E_RNA)
where:
Base-Base interactions energy: -5.055
where: short stacking energy: -5.055
Base-Backbone interact. energy: -0.124
local terms energy: -36.269569
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -7.390
flat angles P-C4'-P energy: -6.357
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: 2, replica: 10
=====================================
Write number: 71
Temperature: 2.366667
Total energy: -39.761453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.761453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.761453 (E_RNA)
where:
Base-Base interactions energy: -2.940
where: short stacking energy: -2.937
Base-Backbone interact. energy: -0.581
local terms energy: -36.240276
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -4.068
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: 8.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 71
Temperature: 2.383333
Total energy: -43.206306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.206306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.206306 (E_RNA)
where:
Base-Base interactions energy: -11.731
where: short stacking energy: -8.080
Base-Backbone interact. energy: 0.349
local terms energy: -31.823472
where:
bonds (distance) C4'-P energy: -7.134
bonds (distance) P-C4' energy: -7.026
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -8.874
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: 4, replica: 2
=====================================
Write number: 71
Temperature: 2.400000
Total energy: -35.159039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.159039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.159039 (E_RNA)
where:
Base-Base interactions energy: -9.924
where: short stacking energy: -4.266
Base-Backbone interact. energy: -0.132
local terms energy: -25.103225
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -6.109
flat angles P-C4'-P energy: 4.088
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: 5, replica: 5
=====================================
Write number: 71
Temperature: 2.416667
Total energy: -33.122751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.122751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.122751 (E_RNA)
where:
Base-Base interactions energy: -2.688
where: short stacking energy: -1.453
Base-Backbone interact. energy: 1.448
local terms energy: -31.883264
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -8.732
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: 6.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 71
Temperature: 2.433333
Total energy: -35.374217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.374217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.374217 (E_RNA)
where:
Base-Base interactions energy: -5.669
where: short stacking energy: -4.498
Base-Backbone interact. energy: 1.196
local terms energy: -30.901161
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: 3.095
flat angles P-C4'-P energy: -4.747
tors. eta vs tors. theta energy: 3.450
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: 8
=====================================
Write number: 71
Temperature: 2.450000
Total energy: -37.994889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.994889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.994889 (E_RNA)
where:
Base-Base interactions energy: -1.991
where: short stacking energy: -2.747
Base-Backbone interact. energy: -0.286
local terms energy: -35.717376
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -0.021
tors. eta vs tors. theta energy: 8.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 71
Temperature: 2.466667
Total energy: -42.932314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.932314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.932314 (E_RNA)
where:
Base-Base interactions energy: -6.259
where: short stacking energy: -5.683
Base-Backbone interact. energy: -0.353
local terms energy: -36.319917
where:
bonds (distance) C4'-P energy: -7.296
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -7.655
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: 9, replica: 1
=====================================
Write number: 71
Temperature: 2.483333
Total energy: -37.864663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.864663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.864663 (E_RNA)
where:
Base-Base interactions energy: -7.719
where: short stacking energy: -7.240
Base-Backbone interact. energy: -0.158
local terms energy: -29.987275
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -4.240
flat angles P-C4'-P energy: -2.421
tors. eta vs tors. theta energy: 8.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 71
Temperature: 2.500000
Total energy: -37.125605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.125605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.125605 (E_RNA)
where:
Base-Base interactions energy: -8.461
where: short stacking energy: -3.476
Base-Backbone interact. energy: 0.498
local terms energy: -29.162671
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -5.696
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -2.708
tors. eta vs tors. theta energy: 5.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 72
Temperature: 2.350000
Total energy: -47.029351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.029351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.029351 (E_RNA)
where:
Base-Base interactions energy: -15.368
where: short stacking energy: -12.061
Base-Backbone interact. energy: 1.101
local terms energy: -32.762578
where:
bonds (distance) C4'-P energy: -8.959
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: 8.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 72
Temperature: 2.366667
Total energy: -38.585576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.585576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.585576 (E_RNA)
where:
Base-Base interactions energy: -4.454
where: short stacking energy: -2.731
Base-Backbone interact. energy: -0.372
local terms energy: -33.759130
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -1.829
tors. eta vs tors. theta energy: 9.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 72
Temperature: 2.383333
Total energy: -39.038102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.038102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.038102 (E_RNA)
where:
Base-Base interactions energy: -3.727
where: short stacking energy: -2.891
Base-Backbone interact. energy: 0.164
local terms energy: -35.475047
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -9.278
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: 12.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 2.400000
Total energy: -36.599849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.599849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.599849 (E_RNA)
where:
Base-Base interactions energy: -10.045
where: short stacking energy: -8.341
Base-Backbone interact. energy: -0.451
local terms energy: -26.103883
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -10.871
flat angles C4'-P-C4' energy: -4.455
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: 8.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 72
Temperature: 2.416667
Total energy: -40.220219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.220219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.220219 (E_RNA)
where:
Base-Base interactions energy: -9.768
where: short stacking energy: -9.768
Base-Backbone interact. energy: -0.164
local terms energy: -30.288728
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -9.200
flat angles P-C4'-P energy: -1.600
tors. eta vs tors. theta energy: 2.646
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: 6, replica: 5
=====================================
Write number: 72
Temperature: 2.433333
Total energy: -38.867432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.867432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.867432 (E_RNA)
where:
Base-Base interactions energy: -6.092
where: short stacking energy: -5.094
Base-Backbone interact. energy: -0.365
local terms energy: -32.410459
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -1.468
flat angles P-C4'-P energy: -4.898
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: 7, replica: 4
=====================================
Write number: 72
Temperature: 2.450000
Total energy: -37.545763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.545763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.545763 (E_RNA)
where:
Base-Base interactions energy: -5.706
where: short stacking energy: -5.933
Base-Backbone interact. energy: -0.441
local terms energy: -31.399459
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -9.380
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: 9.479
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: 72
Temperature: 2.466667
Total energy: -33.905842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.905842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.905842 (E_RNA)
where:
Base-Base interactions energy: -7.851
where: short stacking energy: -6.143
Base-Backbone interact. energy: -0.255
local terms energy: -25.800288
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: 0.691
tors. eta vs tors. theta energy: 5.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 72
Temperature: 2.483333
Total energy: -33.999568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.999568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.999568 (E_RNA)
where:
Base-Base interactions energy: -2.263
where: short stacking energy: -1.242
Base-Backbone interact. energy: -0.455
local terms energy: -31.281396
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -0.606
tors. eta vs tors. theta energy: 5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 72
Temperature: 2.500000
Total energy: -33.902688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.902688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.902688 (E_RNA)
where:
Base-Base interactions energy: -9.940
where: short stacking energy: -4.738
Base-Backbone interact. energy: 0.888
local terms energy: -24.850607
where:
bonds (distance) C4'-P energy: -10.362
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -3.283
flat angles P-C4'-P energy: -1.050
tors. eta vs tors. theta energy: 6.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 73
Temperature: 2.350000
Total energy: -38.585674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.585674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.585674 (E_RNA)
where:
Base-Base interactions energy: -15.176
where: short stacking energy: -15.176
Base-Backbone interact. energy: -0.565
local terms energy: -22.845284
where:
bonds (distance) C4'-P energy: -5.986
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -1.756
flat angles P-C4'-P energy: -6.886
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: 2, replica: 2
=====================================
Write number: 73
Temperature: 2.366667
Total energy: -36.753558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.753558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.753558 (E_RNA)
where:
Base-Base interactions energy: -7.535
where: short stacking energy: -7.535
Base-Backbone interact. energy: -0.283
local terms energy: -28.935131
where:
bonds (distance) C4'-P energy: -6.313
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -3.595
flat angles P-C4'-P energy: -7.407
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: 9
=====================================
Write number: 73
Temperature: 2.383333
Total energy: -45.100221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.100221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.100221 (E_RNA)
where:
Base-Base interactions energy: -6.131
where: short stacking energy: -6.189
Base-Backbone interact. energy: -0.234
local terms energy: -38.734355
where:
bonds (distance) C4'-P energy: -8.751
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: 1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 73
Temperature: 2.400000
Total energy: -42.156023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.156023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.156023 (E_RNA)
where:
Base-Base interactions energy: -8.721
where: short stacking energy: -7.572
Base-Backbone interact. energy: 0.292
local terms energy: -33.726245
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -2.993
tors. eta vs tors. theta energy: 5.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 73
Temperature: 2.416667
Total energy: -47.827559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.827559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.827559 (E_RNA)
where:
Base-Base interactions energy: -11.079
where: short stacking energy: -10.672
Base-Backbone interact. energy: -0.117
local terms energy: -36.630995
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -9.497
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -4.362
tors. eta vs tors. theta energy: 7.678
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: 6, replica: 4
=====================================
Write number: 73
Temperature: 2.433333
Total energy: -33.969607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.969607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.969607 (E_RNA)
where:
Base-Base interactions energy: -4.925
where: short stacking energy: -1.431
Base-Backbone interact. energy: 0.432
local terms energy: -29.477211
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -5.199
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -0.808
tors. eta vs tors. theta energy: 3.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 73
Temperature: 2.450000
Total energy: -35.657081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.657081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.657081 (E_RNA)
where:
Base-Base interactions energy: -7.099
where: short stacking energy: -6.310
Base-Backbone interact. energy: 0.830
local terms energy: -29.387798
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -4.598
flat angles P-C4'-P energy: -3.916
tors. eta vs tors. theta energy: 8.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 73
Temperature: 2.466667
Total energy: -39.192767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.192767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.192767 (E_RNA)
where:
Base-Base interactions energy: -1.998
where: short stacking energy: -1.998
Base-Backbone interact. energy: -0.330
local terms energy: -36.865093
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -1.700
flat angles P-C4'-P energy: -11.088
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: 9, replica: 8
=====================================
Write number: 73
Temperature: 2.483333
Total energy: -37.005316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.005316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.005316 (E_RNA)
where:
Base-Base interactions energy: -7.881
where: short stacking energy: -7.416
Base-Backbone interact. energy: -0.164
local terms energy: -28.961152
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -8.974
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: 9.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 73
Temperature: 2.500000
Total energy: -37.753699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.753699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.753699 (E_RNA)
where:
Base-Base interactions energy: -0.692
where: short stacking energy: -0.508
Base-Backbone interact. energy: -0.663
local terms energy: -36.399311
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -6.736
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: 8.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 74
Temperature: 2.350000
Total energy: -37.405053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.405053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.405053 (E_RNA)
where:
Base-Base interactions energy: -1.222
where: short stacking energy: -0.536
Base-Backbone interact. energy: -1.290
local terms energy: -34.892619
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -9.529
flat angles P-C4'-P energy: -4.242
tors. eta vs tors. theta energy: 3.291
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: 2, replica: 10
=====================================
Write number: 74
Temperature: 2.366667
Total energy: -39.460769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.460769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.460769 (E_RNA)
where:
Base-Base interactions energy: -14.961
where: short stacking energy: -13.331
Base-Backbone interact. energy: 0.830
local terms energy: -25.329550
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -7.585
flat angles P-C4'-P energy: -2.305
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: 3, replica: 6
=====================================
Write number: 74
Temperature: 2.383333
Total energy: -44.854438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.854438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.854438 (E_RNA)
where:
Base-Base interactions energy: -14.421
where: short stacking energy: -12.180
Base-Backbone interact. energy: -0.084
local terms energy: -30.349052
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -10.121
flat angles C4'-P-C4' energy: -8.341
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: 5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 74
Temperature: 2.400000
Total energy: -36.876070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.876070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.876070 (E_RNA)
where:
Base-Base interactions energy: 0.545
where: short stacking energy: -0.355
Base-Backbone interact. energy: 0.928
local terms energy: -38.348776
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: 10.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 74
Temperature: 2.416667
Total energy: -37.291453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.291453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.291453 (E_RNA)
where:
Base-Base interactions energy: -2.575
where: short stacking energy: -0.884
Base-Backbone interact. energy: 0.680
local terms energy: -35.396826
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -5.910
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: 8.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 74
Temperature: 2.433333
Total energy: -37.746874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.746874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.746874 (E_RNA)
where:
Base-Base interactions energy: -4.461
where: short stacking energy: -4.115
Base-Backbone interact. energy: -0.287
local terms energy: -32.998415
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -2.769
tors. eta vs tors. theta energy: 7.867
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: 7
=====================================
Write number: 74
Temperature: 2.450000
Total energy: -43.982174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.982174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.982174 (E_RNA)
where:
Base-Base interactions energy: -5.139
where: short stacking energy: -3.721
Base-Backbone interact. energy: -0.414
local terms energy: -38.429666
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: 8.439
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: 5
=====================================
Write number: 74
Temperature: 2.466667
Total energy: -39.876662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.876662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.876662 (E_RNA)
where:
Base-Base interactions energy: -6.499
where: short stacking energy: -5.533
Base-Backbone interact. energy: -0.375
local terms energy: -33.003109
where:
bonds (distance) C4'-P energy: -3.550
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -7.924
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: 8.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 74
Temperature: 2.483333
Total energy: -37.367032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.367032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.367032 (E_RNA)
where:
Base-Base interactions energy: -9.697
where: short stacking energy: -6.235
Base-Backbone interact. energy: -0.459
local terms energy: -27.211183
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -3.408
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: 11.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 74
Temperature: 2.500000
Total energy: -42.974350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.974350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.974350 (E_RNA)
where:
Base-Base interactions energy: -12.646
where: short stacking energy: -5.449
Base-Backbone interact. energy: -0.731
local terms energy: -29.597429
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -9.519
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: 10.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 75
Temperature: 2.350000
Total energy: -36.834071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.834071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.834071 (E_RNA)
where:
Base-Base interactions energy: -8.083
where: short stacking energy: -3.394
Base-Backbone interact. energy: -0.272
local terms energy: -28.478926
where:
bonds (distance) C4'-P energy: -8.591
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -0.789
tors. eta vs tors. theta energy: 8.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 75
Temperature: 2.366667
Total energy: -38.026824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.026824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.026824 (E_RNA)
where:
Base-Base interactions energy: -12.653
where: short stacking energy: -12.653
Base-Backbone interact. energy: -0.015
local terms energy: -25.359523
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -3.395
flat angles P-C4'-P energy: -2.064
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: 3, replica: 10
=====================================
Write number: 75
Temperature: 2.383333
Total energy: -36.590610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.590610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.590610 (E_RNA)
where:
Base-Base interactions energy: -11.290
where: short stacking energy: -11.192
Base-Backbone interact. energy: 0.346
local terms energy: -25.646425
where:
bonds (distance) C4'-P energy: -7.476
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -7.776
flat angles P-C4'-P energy: -0.976
tors. eta vs tors. theta energy: 9.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 75
Temperature: 2.400000
Total energy: -34.435574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.435574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.435574 (E_RNA)
where:
Base-Base interactions energy: -4.471
where: short stacking energy: -2.813
Base-Backbone interact. energy: 0.527
local terms energy: -30.491226
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -0.320
tors. eta vs tors. theta energy: 10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 75
Temperature: 2.416667
Total energy: -41.116867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.116867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.116867 (E_RNA)
where:
Base-Base interactions energy: -14.331
where: short stacking energy: -12.930
Base-Backbone interact. energy: 0.690
local terms energy: -27.476306
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -7.941
flat angles C4'-P-C4' energy: -1.857
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: 4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 75
Temperature: 2.433333
Total energy: -37.485992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.485992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.485992 (E_RNA)
where:
Base-Base interactions energy: -12.857
where: short stacking energy: -9.371
Base-Backbone interact. energy: -0.470
local terms energy: -24.158099
where:
bonds (distance) C4'-P energy: -5.695
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -9.465
flat angles P-C4'-P energy: -6.222
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: 7, replica: 3
=====================================
Write number: 75
Temperature: 2.450000
Total energy: -34.579840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.579840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.579840 (E_RNA)
where:
Base-Base interactions energy: -9.249
where: short stacking energy: -8.381
Base-Backbone interact. energy: 0.627
local terms energy: -25.957405
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -8.161
flat angles C4'-P-C4' energy: -6.153
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: 5.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 75
Temperature: 2.466667
Total energy: -33.622659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.622659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.622659 (E_RNA)
where:
Base-Base interactions energy: -3.098
where: short stacking energy: -3.098
Base-Backbone interact. energy: 0.357
local terms energy: -30.880900
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: 9.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 75
Temperature: 2.483333
Total energy: -39.759380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.759380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.759380 (E_RNA)
where:
Base-Base interactions energy: -4.487
where: short stacking energy: -4.487
Base-Backbone interact. energy: -0.473
local terms energy: -34.799201
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -10.350
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -3.611
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: 10, replica: 8
=====================================
Write number: 75
Temperature: 2.500000
Total energy: -36.466359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.466359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.466359 (E_RNA)
where:
Base-Base interactions energy: -19.709
where: short stacking energy: -15.299
Base-Backbone interact. energy: -0.445
local terms energy: -16.312287
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -5.484
flat angles C4'-P-C4' energy: -4.897
flat angles P-C4'-P energy: -2.217
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: 6
=====================================
Write number: 76
Temperature: 2.350000
Total energy: -42.785361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.785361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.785361 (E_RNA)
where:
Base-Base interactions energy: -13.921
where: short stacking energy: -13.921
Base-Backbone interact. energy: -0.012
local terms energy: -28.851756
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: 0.265
tors. eta vs tors. theta energy: 5.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 76
Temperature: 2.366667
Total energy: -35.524966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.524966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.524966 (E_RNA)
where:
Base-Base interactions energy: -12.344
where: short stacking energy: -5.472
Base-Backbone interact. energy: 3.211
local terms energy: -26.392246
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -8.187
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: 11.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 76
Temperature: 2.383333
Total energy: -41.294559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.294559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.294559 (E_RNA)
where:
Base-Base interactions energy: -6.874
where: short stacking energy: -6.874
Base-Backbone interact. energy: 1.057
local terms energy: -35.477237
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -8.757
flat angles P-C4'-P energy: -5.488
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: 4, replica: 10
=====================================
Write number: 76
Temperature: 2.400000
Total energy: -43.462483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.462483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.462483 (E_RNA)
where:
Base-Base interactions energy: -10.015
where: short stacking energy: -10.115
Base-Backbone interact. energy: -0.142
local terms energy: -33.305793
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -4.717
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: 6.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 76
Temperature: 2.416667
Total energy: -35.229652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.229652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.229652 (E_RNA)
where:
Base-Base interactions energy: -9.403
where: short stacking energy: -6.463
Base-Backbone interact. energy: -0.193
local terms energy: -25.634297
where:
bonds (distance) C4'-P energy: -0.784
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: 8.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 76
Temperature: 2.433333
Total energy: -41.336140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.336140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.336140 (E_RNA)
where:
Base-Base interactions energy: -5.700
where: short stacking energy: -5.691
Base-Backbone interact. energy: -1.318
local terms energy: -34.318658
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -1.515
tors. eta vs tors. theta energy: 9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 76
Temperature: 2.450000
Total energy: -35.647826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.647826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.647826 (E_RNA)
where:
Base-Base interactions energy: -7.029
where: short stacking energy: -5.269
Base-Backbone interact. energy: -0.534
local terms energy: -28.085285
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -6.967
flat angles P-C4'-P energy: -1.731
tors. eta vs tors. theta energy: 9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 76
Temperature: 2.466667
Total energy: -34.366115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.366115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.366115 (E_RNA)
where:
Base-Base interactions energy: -11.461
where: short stacking energy: -8.880
Base-Backbone interact. energy: 1.682
local terms energy: -24.586829
where:
bonds (distance) C4'-P energy: -7.774
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -4.324
flat angles P-C4'-P energy: -6.448
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: 9, replica: 8
=====================================
Write number: 76
Temperature: 2.483333
Total energy: -35.635309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.635309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.635309 (E_RNA)
where:
Base-Base interactions energy: -8.703
where: short stacking energy: -7.003
Base-Backbone interact. energy: -0.309
local terms energy: -26.623631
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -5.583
flat angles C4'-P-C4' energy: -9.238
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: 10.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 76
Temperature: 2.500000
Total energy: -34.958005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.958005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.958005 (E_RNA)
where:
Base-Base interactions energy: -7.841
where: short stacking energy: -6.541
Base-Backbone interact. energy: 2.412
local terms energy: -29.528909
where:
bonds (distance) C4'-P energy: -10.453
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -0.404
tors. eta vs tors. theta energy: 6.242
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: 6
=====================================
Write number: 77
Temperature: 2.350000
Total energy: -35.976425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.976425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.976425 (E_RNA)
where:
Base-Base interactions energy: -7.275
where: short stacking energy: -5.216
Base-Backbone interact. energy: -1.346
local terms energy: -27.355221
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -6.778
flat angles C4'-P-C4' energy: -8.359
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: 8.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 77
Temperature: 2.366667
Total energy: -48.863428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.863428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.863428 (E_RNA)
where:
Base-Base interactions energy: -7.082
where: short stacking energy: -7.030
Base-Backbone interact. energy: -0.297
local terms energy: -41.484413
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -6.116
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: 2.382
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: 2
=====================================
Write number: 77
Temperature: 2.383333
Total energy: -39.702347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.702347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.702347 (E_RNA)
where:
Base-Base interactions energy: -9.809
where: short stacking energy: -10.433
Base-Backbone interact. energy: -0.431
local terms energy: -29.462408
where:
bonds (distance) C4'-P energy: -7.041
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: 7.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 77
Temperature: 2.400000
Total energy: -40.607212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.607212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.607212 (E_RNA)
where:
Base-Base interactions energy: -8.708
where: short stacking energy: -7.948
Base-Backbone interact. energy: 0.468
local terms energy: -32.368004
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -3.628
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: 10.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 77
Temperature: 2.416667
Total energy: -35.278447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.278447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.278447 (E_RNA)
where:
Base-Base interactions energy: -7.644
where: short stacking energy: -6.993
Base-Backbone interact. energy: 1.627
local terms energy: -29.260629
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -5.821
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: 5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 77
Temperature: 2.433333
Total energy: -36.683995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.683995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.683995 (E_RNA)
where:
Base-Base interactions energy: -8.163
where: short stacking energy: -8.163
Base-Backbone interact. energy: 1.348
local terms energy: -29.868422
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -3.420
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: 9
=====================================
Write number: 77
Temperature: 2.450000
Total energy: -36.129782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.129782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.129782 (E_RNA)
where:
Base-Base interactions energy: -16.118
where: short stacking energy: -12.986
Base-Backbone interact. energy: 2.058
local terms energy: -22.069863
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -6.766
flat angles C4'-P-C4' energy: -7.304
flat angles P-C4'-P energy: -0.885
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: 8, replica: 8
=====================================
Write number: 77
Temperature: 2.466667
Total energy: -40.145273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.145273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.145273 (E_RNA)
where:
Base-Base interactions energy: -7.213
where: short stacking energy: -6.411
Base-Backbone interact. energy: -0.038
local terms energy: -32.894185
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -4.885
flat angles P-C4'-P energy: -4.166
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: 9, replica: 3
=====================================
Write number: 77
Temperature: 2.483333
Total energy: -36.316167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.316167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.316167 (E_RNA)
where:
Base-Base interactions energy: -0.437
where: short stacking energy: -2.971
Base-Backbone interact. energy: -0.062
local terms energy: -35.816884
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -9.074
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: 8.973
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: 5
=====================================
Write number: 77
Temperature: 2.500000
Total energy: -33.054741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.054741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.054741 (E_RNA)
where:
Base-Base interactions energy: -7.398
where: short stacking energy: -7.398
Base-Backbone interact. energy: 2.645
local terms energy: -28.302392
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -2.506
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: 8.729
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: 4
=====================================
Write number: 78
Temperature: 2.350000
Total energy: -44.021975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.021975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.021975 (E_RNA)
where:
Base-Base interactions energy: -4.934
where: short stacking energy: -4.934
Base-Backbone interact. energy: -0.229
local terms energy: -38.858541
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -4.410
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: 3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 78
Temperature: 2.366667
Total energy: -39.716098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.716098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.716098 (E_RNA)
where:
Base-Base interactions energy: -1.061
where: short stacking energy: 0.975
Base-Backbone interact. energy: -0.548
local terms energy: -38.107249
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -7.445
flat angles P-C4'-P energy: -14.114
tors. eta vs tors. theta energy: 8.035
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: 7
=====================================
Write number: 78
Temperature: 2.383333
Total energy: -38.070036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.070036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.070036 (E_RNA)
where:
Base-Base interactions energy: -13.095
where: short stacking energy: -8.853
Base-Backbone interact. energy: -0.252
local terms energy: -24.723113
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -7.833
flat angles C4'-P-C4' energy: -9.330
flat angles P-C4'-P energy: -3.952
tors. eta vs tors. theta energy: 5.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 78
Temperature: 2.400000
Total energy: -39.250840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.250840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.250840 (E_RNA)
where:
Base-Base interactions energy: -8.950
where: short stacking energy: -8.950
Base-Backbone interact. energy: 0.848
local terms energy: -31.149245
where:
bonds (distance) C4'-P energy: -5.877
bonds (distance) P-C4' energy: -7.482
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: 0.805
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: 78
Temperature: 2.416667
Total energy: -33.461945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.461945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.461945 (E_RNA)
where:
Base-Base interactions energy: -2.230
where: short stacking energy: -1.225
Base-Backbone interact. energy: -0.121
local terms energy: -31.111315
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -4.335
tors. eta vs tors. theta energy: 7.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 78
Temperature: 2.433333
Total energy: -34.336381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.336381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.336381 (E_RNA)
where:
Base-Base interactions energy: -4.411
where: short stacking energy: -4.411
Base-Backbone interact. energy: 0.505
local terms energy: -30.430220
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -3.698
tors. eta vs tors. theta energy: 8.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 78
Temperature: 2.450000
Total energy: -43.030955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.030955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.030955 (E_RNA)
where:
Base-Base interactions energy: -9.058
where: short stacking energy: -8.678
Base-Backbone interact. energy: 1.426
local terms energy: -35.399059
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: 5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 78
Temperature: 2.466667
Total energy: -31.029339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.029339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.029339 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -0.775
Base-Backbone interact. energy: -0.225
local terms energy: -29.727381
where:
bonds (distance) C4'-P energy: -10.097
bonds (distance) P-C4' energy: -8.205
flat angles C4'-P-C4' energy: -8.605
flat angles P-C4'-P energy: -7.666
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: 9, replica: 5
=====================================
Write number: 78
Temperature: 2.483333
Total energy: -38.714656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.714656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.714656 (E_RNA)
where:
Base-Base interactions energy: -4.485
where: short stacking energy: -3.546
Base-Backbone interact. energy: -0.415
local terms energy: -33.815149
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -2.754
tors. eta vs tors. theta energy: 7.785
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: 78
Temperature: 2.500000
Total energy: -29.910208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.910208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.910208 (E_RNA)
where:
Base-Base interactions energy: -11.237
where: short stacking energy: -9.212
Base-Backbone interact. energy: -0.170
local terms energy: -18.503745
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -7.278
flat angles C4'-P-C4' energy: -8.082
flat angles P-C4'-P energy: -0.142
tors. eta vs tors. theta energy: 8.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 79
Temperature: 2.350000
Total energy: -46.566155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.566155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.566155 (E_RNA)
where:
Base-Base interactions energy: -12.035
where: short stacking energy: -11.469
Base-Backbone interact. energy: 4.061
local terms energy: -38.592843
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -5.195
flat angles P-C4'-P energy: -7.337
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: 7
=====================================
Write number: 79
Temperature: 2.366667
Total energy: -45.330068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.330068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.330068 (E_RNA)
where:
Base-Base interactions energy: -7.550
where: short stacking energy: -2.018
Base-Backbone interact. energy: -0.047
local terms energy: -37.733209
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -0.582
flat angles P-C4'-P energy: -7.380
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: 3, replica: 6
=====================================
Write number: 79
Temperature: 2.383333
Total energy: -42.406187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.406187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.406187 (E_RNA)
where:
Base-Base interactions energy: -11.765
where: short stacking energy: -8.247
Base-Backbone interact. energy: 0.469
local terms energy: -31.110545
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -3.971
flat angles P-C4'-P energy: -0.795
tors. eta vs tors. theta energy: 6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 79
Temperature: 2.400000
Total energy: -39.033806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.033806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.033806 (E_RNA)
where:
Base-Base interactions energy: -7.781
where: short stacking energy: -5.387
Base-Backbone interact. energy: 0.441
local terms energy: -31.693905
where:
bonds (distance) C4'-P energy: -8.826
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -8.739
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: 8.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 79
Temperature: 2.416667
Total energy: -33.277644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.277644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.277644 (E_RNA)
where:
Base-Base interactions energy: -7.365
where: short stacking energy: -4.875
Base-Backbone interact. energy: -0.295
local terms energy: -25.617544
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -10.530
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: 10.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 79
Temperature: 2.433333
Total energy: -41.333898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.333898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.333898 (E_RNA)
where:
Base-Base interactions energy: -9.066
where: short stacking energy: -6.695
Base-Backbone interact. energy: 1.070
local terms energy: -33.338040
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -2.210
flat angles P-C4'-P energy: -5.060
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: 7, replica: 10
=====================================
Write number: 79
Temperature: 2.450000
Total energy: -31.707290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.707290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.707290 (E_RNA)
where:
Base-Base interactions energy: -6.219
where: short stacking energy: -0.597
Base-Backbone interact. energy: -0.206
local terms energy: -25.281923
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: 0.234
flat angles P-C4'-P energy: 0.504
tors. eta vs tors. theta energy: 4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 79
Temperature: 2.466667
Total energy: -39.247713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.247713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.247713 (E_RNA)
where:
Base-Base interactions energy: -7.702
where: short stacking energy: -5.310
Base-Backbone interact. energy: -0.997
local terms energy: -30.548990
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: 7.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 2.483333
Total energy: -41.234342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.234342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.234342 (E_RNA)
where:
Base-Base interactions energy: -8.312
where: short stacking energy: -7.078
Base-Backbone interact. energy: 0.224
local terms energy: -33.146018
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: 11.409
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: 10, replica: 3
=====================================
Write number: 79
Temperature: 2.500000
Total energy: -38.789009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.789009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.789009 (E_RNA)
where:
Base-Base interactions energy: -10.885
where: short stacking energy: -10.885
Base-Backbone interact. energy: -0.464
local terms energy: -27.440491
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: 2.636
tors. eta vs tors. theta energy: 6.630
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: 7
=====================================
Write number: 80
Temperature: 2.350000
Total energy: -34.618808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.618808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.618808 (E_RNA)
where:
Base-Base interactions energy: -14.622
where: short stacking energy: -14.622
Base-Backbone interact. energy: -1.392
local terms energy: -18.605662
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -4.192
flat angles P-C4'-P energy: 7.036
tors. eta vs tors. theta energy: 6.377
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: 4
=====================================
Write number: 80
Temperature: 2.366667
Total energy: -35.203914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.203914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.203914 (E_RNA)
where:
Base-Base interactions energy: -14.351
where: short stacking energy: -11.228
Base-Backbone interact. energy: -0.236
local terms energy: -20.616936
where:
bonds (distance) C4'-P energy: -7.264
bonds (distance) P-C4' energy: -10.938
flat angles C4'-P-C4' energy: -6.163
flat angles P-C4'-P energy: -1.285
tors. eta vs tors. theta energy: 5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 80
Temperature: 2.383333
Total energy: -38.707128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.707128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.707128 (E_RNA)
where:
Base-Base interactions energy: -9.501
where: short stacking energy: -3.964
Base-Backbone interact. energy: -0.118
local terms energy: -29.088238
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -4.638
flat angles P-C4'-P energy: -1.512
tors. eta vs tors. theta energy: 5.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 80
Temperature: 2.400000
Total energy: -40.195886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.195886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.195886 (E_RNA)
where:
Base-Base interactions energy: -10.627
where: short stacking energy: -8.592
Base-Backbone interact. energy: -0.324
local terms energy: -29.245523
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -8.295
flat angles C4'-P-C4' energy: -7.477
flat angles P-C4'-P energy: -1.260
tors. eta vs tors. theta energy: 4.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 80
Temperature: 2.416667
Total energy: -35.748436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.748436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.748436 (E_RNA)
where:
Base-Base interactions energy: -6.379
where: short stacking energy: -6.784
Base-Backbone interact. energy: -0.662
local terms energy: -28.707301
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -7.842
flat angles P-C4'-P energy: -0.517
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: 6, replica: 2
=====================================
Write number: 80
Temperature: 2.433333
Total energy: -37.789466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.789466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.789466 (E_RNA)
where:
Base-Base interactions energy: -11.164
where: short stacking energy: -9.141
Base-Backbone interact. energy: 1.519
local terms energy: -28.144911
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -5.731
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: 12.156
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: 5
=====================================
Write number: 80
Temperature: 2.450000
Total energy: -34.782114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.782114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.782114 (E_RNA)
where:
Base-Base interactions energy: -5.347
where: short stacking energy: -5.347
Base-Backbone interact. energy: -0.995
local terms energy: -28.440498
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -8.831
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: 11.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 80
Temperature: 2.466667
Total energy: -41.553090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.553090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.553090 (E_RNA)
where:
Base-Base interactions energy: -10.180
where: short stacking energy: -10.180
Base-Backbone interact. energy: -0.527
local terms energy: -30.846011
where:
bonds (distance) C4'-P energy: -4.929
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: 4.854
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: 3
=====================================
Write number: 80
Temperature: 2.483333
Total energy: -36.152122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.152122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.152122 (E_RNA)
where:
Base-Base interactions energy: -5.239
where: short stacking energy: -4.858
Base-Backbone interact. energy: -0.218
local terms energy: -30.694746
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -2.978
flat angles P-C4'-P energy: -7.419
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: 10, replica: 9
=====================================
Write number: 80
Temperature: 2.500000
Total energy: -36.493198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.493198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.493198 (E_RNA)
where:
Base-Base interactions energy: -2.080
where: short stacking energy: -1.243
Base-Backbone interact. energy: 0.806
local terms energy: -35.218945
where:
bonds (distance) C4'-P energy: -9.331
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -6.855
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: 1, replica: 7
=====================================
Write number: 81
Temperature: 2.350000
Total energy: -41.782472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.782472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.782472 (E_RNA)
where:
Base-Base interactions energy: -8.825
where: short stacking energy: -8.723
Base-Backbone interact. energy: -0.285
local terms energy: -32.673132
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -2.008
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -9.772
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: 2, replica: 1
=====================================
Write number: 81
Temperature: 2.366667
Total energy: -39.434290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.434290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.434290 (E_RNA)
where:
Base-Base interactions energy: -14.544
where: short stacking energy: -14.544
Base-Backbone interact. energy: 1.270
local terms energy: -26.161064
where:
bonds (distance) C4'-P energy: -3.848
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -3.751
tors. eta vs tors. theta energy: 7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 81
Temperature: 2.383333
Total energy: -41.763019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.763019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.763019 (E_RNA)
where:
Base-Base interactions energy: -18.634
where: short stacking energy: -17.878
Base-Backbone interact. energy: 1.046
local terms energy: -24.174339
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -4.724
flat angles C4'-P-C4' energy: -5.039
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: 6.535
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: 4, replica: 8
=====================================
Write number: 81
Temperature: 2.400000
Total energy: -37.300677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.300677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.300677 (E_RNA)
where:
Base-Base interactions energy: -6.145
where: short stacking energy: -6.145
Base-Backbone interact. energy: -0.098
local terms energy: -31.057853
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: 1.327
flat angles P-C4'-P energy: -5.912
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: 5, replica: 6
=====================================
Write number: 81
Temperature: 2.416667
Total energy: -40.583424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.583424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.583424 (E_RNA)
where:
Base-Base interactions energy: -6.498
where: short stacking energy: -6.498
Base-Backbone interact. energy: 2.141
local terms energy: -36.226214
where:
bonds (distance) C4'-P energy: -6.936
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: 2.325
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: 5
=====================================
Write number: 81
Temperature: 2.433333
Total energy: -45.748613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.748613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.748613 (E_RNA)
where:
Base-Base interactions energy: -8.575
where: short stacking energy: -7.805
Base-Backbone interact. energy: -0.119
local terms energy: -37.055091
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -1.937
flat angles P-C4'-P energy: -5.336
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: 7, replica: 2
=====================================
Write number: 81
Temperature: 2.450000
Total energy: -35.305644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.305644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.305644 (E_RNA)
where:
Base-Base interactions energy: -1.978
where: short stacking energy: -0.653
Base-Backbone interact. energy: -0.268
local terms energy: -33.059911
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -5.224
flat angles P-C4'-P energy: -3.647
tors. eta vs tors. theta energy: 3.713
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: 3
=====================================
Write number: 81
Temperature: 2.466667
Total energy: -41.174312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.174312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.174312 (E_RNA)
where:
Base-Base interactions energy: -10.070
where: short stacking energy: -6.311
Base-Backbone interact. energy: -0.431
local terms energy: -30.673987
where:
bonds (distance) C4'-P energy: -8.808
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -6.752
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: 8.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 81
Temperature: 2.483333
Total energy: -35.690372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.690372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.690372 (E_RNA)
where:
Base-Base interactions energy: -8.598
where: short stacking energy: -7.614
Base-Backbone interact. energy: 0.971
local terms energy: -28.063462
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -8.975
flat angles P-C4'-P energy: -1.719
tors. eta vs tors. theta energy: 9.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 2.500000
Total energy: -36.203274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.203274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.203274 (E_RNA)
where:
Base-Base interactions energy: -13.297
where: short stacking energy: -12.649
Base-Backbone interact. energy: -0.215
local terms energy: -22.690885
where:
bonds (distance) C4'-P energy: -2.408
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -8.565
flat angles P-C4'-P energy: 2.813
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: 1, replica: 1
=====================================
Write number: 82
Temperature: 2.350000
Total energy: -38.003719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.003719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.003719 (E_RNA)
where:
Base-Base interactions energy: -15.093
where: short stacking energy: -15.093
Base-Backbone interact. energy: 2.342
local terms energy: -25.253473
where:
bonds (distance) C4'-P energy: -6.254
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -4.285
flat angles P-C4'-P energy: -3.975
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: 2, replica: 7
=====================================
Write number: 82
Temperature: 2.366667
Total energy: -43.130039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.130039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.130039 (E_RNA)
where:
Base-Base interactions energy: -9.198
where: short stacking energy: -7.303
Base-Backbone interact. energy: -0.511
local terms energy: -33.421897
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: 8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 82
Temperature: 2.383333
Total energy: -39.165117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.165117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.165117 (E_RNA)
where:
Base-Base interactions energy: -9.524
where: short stacking energy: -8.511
Base-Backbone interact. energy: 0.426
local terms energy: -30.066710
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -3.086
tors. eta vs tors. theta energy: 7.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 82
Temperature: 2.400000
Total energy: -40.556252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.556252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.556252 (E_RNA)
where:
Base-Base interactions energy: -7.080
where: short stacking energy: -7.450
Base-Backbone interact. energy: -0.105
local terms energy: -33.371449
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: 4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 82
Temperature: 2.416667
Total energy: -45.520386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.520386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.520386 (E_RNA)
where:
Base-Base interactions energy: -5.974
where: short stacking energy: -6.301
Base-Backbone interact. energy: -0.295
local terms energy: -39.251262
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: 7.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 82
Temperature: 2.433333
Total energy: -42.116689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.116689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.116689 (E_RNA)
where:
Base-Base interactions energy: -6.606
where: short stacking energy: -6.956
Base-Backbone interact. energy: 0.806
local terms energy: -36.316784
where:
bonds (distance) C4'-P energy: -9.214
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: 7.389
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: 3
=====================================
Write number: 82
Temperature: 2.450000
Total energy: -38.990290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.990290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.990290 (E_RNA)
where:
Base-Base interactions energy: -4.952
where: short stacking energy: -0.251
Base-Backbone interact. energy: 7.559
local terms energy: -41.596650
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: 9.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 82
Temperature: 2.466667
Total energy: -39.237920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.237920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.237920 (E_RNA)
where:
Base-Base interactions energy: -8.808
where: short stacking energy: -8.240
Base-Backbone interact. energy: 2.346
local terms energy: -32.775837
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -4.849
flat angles P-C4'-P energy: -4.591
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: 9
=====================================
Write number: 82
Temperature: 2.483333
Total energy: -32.829093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.829093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.829093 (E_RNA)
where:
Base-Base interactions energy: -8.421
where: short stacking energy: -4.954
Base-Backbone interact. energy: -0.159
local terms energy: -24.249158
where:
bonds (distance) C4'-P energy: -8.010
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -5.265
flat angles P-C4'-P energy: -0.756
tors. eta vs tors. theta energy: 8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 82
Temperature: 2.500000
Total energy: -39.097399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.097399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.097399 (E_RNA)
where:
Base-Base interactions energy: -3.028
where: short stacking energy: -3.028
Base-Backbone interact. energy: 0.873
local terms energy: -36.942822
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -9.880
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: 8.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 2.350000
Total energy: -39.194033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.194033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.194033 (E_RNA)
where:
Base-Base interactions energy: -9.491
where: short stacking energy: -4.809
Base-Backbone interact. energy: 0.291
local terms energy: -29.993724
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -7.320
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: 7.786
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: 2, replica: 8
=====================================
Write number: 83
Temperature: 2.366667
Total energy: -40.759485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.759485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.759485 (E_RNA)
where:
Base-Base interactions energy: -11.927
where: short stacking energy: -11.281
Base-Backbone interact. energy: 3.496
local terms energy: -32.328747
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -8.835
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: 4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 83
Temperature: 2.383333
Total energy: -42.630934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.630934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.630934 (E_RNA)
where:
Base-Base interactions energy: -11.765
where: short stacking energy: -10.160
Base-Backbone interact. energy: -0.070
local terms energy: -30.795757
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -10.016
flat angles C4'-P-C4' energy: -6.872
flat angles P-C4'-P energy: -7.233
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: 4, replica: 5
=====================================
Write number: 83
Temperature: 2.400000
Total energy: -40.244594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.244594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.244594 (E_RNA)
where:
Base-Base interactions energy: -11.271
where: short stacking energy: -9.907
Base-Backbone interact. energy: 1.023
local terms energy: -29.996665
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -7.782
flat angles C4'-P-C4' energy: -5.213
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: 7.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 83
Temperature: 2.416667
Total energy: -44.384101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.384101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.384101 (E_RNA)
where:
Base-Base interactions energy: -11.745
where: short stacking energy: -11.637
Base-Backbone interact. energy: -0.731
local terms energy: -31.908277
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -8.375
flat angles C4'-P-C4' energy: -5.281
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: 3.688
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: 3
=====================================
Write number: 83
Temperature: 2.433333
Total energy: -34.788325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.788325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.788325 (E_RNA)
where:
Base-Base interactions energy: -7.164
where: short stacking energy: -1.271
Base-Backbone interact. energy: -1.514
local terms energy: -26.111144
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -7.782
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: 9.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 2.450000
Total energy: -37.418227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.418227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.418227 (E_RNA)
where:
Base-Base interactions energy: -9.957
where: short stacking energy: -9.584
Base-Backbone interact. energy: 5.596
local terms energy: -33.057416
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -3.090
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: 5.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 83
Temperature: 2.466667
Total energy: -33.568631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.568631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.568631 (E_RNA)
where:
Base-Base interactions energy: -12.377
where: short stacking energy: -7.556
Base-Backbone interact. energy: -1.204
local terms energy: -19.987542
where:
bonds (distance) C4'-P energy: -4.486
bonds (distance) P-C4' energy: -8.009
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -1.498
tors. eta vs tors. theta energy: 4.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 83
Temperature: 2.483333
Total energy: -32.635003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.635003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.635003 (E_RNA)
where:
Base-Base interactions energy: -2.581
where: short stacking energy: -2.681
Base-Backbone interact. energy: 0.610
local terms energy: -30.664913
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -7.944
flat angles P-C4'-P energy: -3.262
tors. eta vs tors. theta energy: 11.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 2.500000
Total energy: -39.810497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.810497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.810497 (E_RNA)
where:
Base-Base interactions energy: -7.628
where: short stacking energy: -3.414
Base-Backbone interact. energy: 2.416
local terms energy: -34.598063
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: 9.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 84
Temperature: 2.350000
Total energy: -38.727890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.727890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.727890 (E_RNA)
where:
Base-Base interactions energy: -7.404
where: short stacking energy: -6.692
Base-Backbone interact. energy: -1.117
local terms energy: -30.207240
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -5.228
flat angles P-C4'-P energy: -3.703
tors. eta vs tors. theta energy: 8.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 84
Temperature: 2.366667
Total energy: -38.264340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.264340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.264340 (E_RNA)
where:
Base-Base interactions energy: -6.964
where: short stacking energy: -4.437
Base-Backbone interact. energy: -0.279
local terms energy: -31.020731
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: 9.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 84
Temperature: 2.383333
Total energy: -39.479329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.479329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.479329 (E_RNA)
where:
Base-Base interactions energy: -11.058
where: short stacking energy: -9.777
Base-Backbone interact. energy: -0.241
local terms energy: -28.179845
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -3.363
flat angles C4'-P-C4' energy: -7.314
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: 3.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 84
Temperature: 2.400000
Total energy: -36.009046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.009046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.009046 (E_RNA)
where:
Base-Base interactions energy: -0.248
where: short stacking energy: -0.248
Base-Backbone interact. energy: -0.646
local terms energy: -35.115302
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -4.617
tors. eta vs tors. theta energy: 5.529
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: 5, replica: 3
=====================================
Write number: 84
Temperature: 2.416667
Total energy: -41.310715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.310715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.310715 (E_RNA)
where:
Base-Base interactions energy: -2.589
where: short stacking energy: -0.144
Base-Backbone interact. energy: -0.657
local terms energy: -38.064569
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -9.886
flat angles P-C4'-P energy: -5.100
tors. eta vs tors. theta energy: 8.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 2.433333
Total energy: -30.542505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.542505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.542505 (E_RNA)
where:
Base-Base interactions energy: -10.139
where: short stacking energy: -4.910
Base-Backbone interact. energy: 1.277
local terms energy: -21.680732
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -6.078
flat angles P-C4'-P energy: 2.467
tors. eta vs tors. theta energy: 8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 2.450000
Total energy: -42.740442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.740442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.740442 (E_RNA)
where:
Base-Base interactions energy: -10.996
where: short stacking energy: -10.996
Base-Backbone interact. energy: -0.116
local terms energy: -31.627901
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -1.914
flat angles P-C4'-P energy: -5.558
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: 6
=====================================
Write number: 84
Temperature: 2.466667
Total energy: -29.796362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.796362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.796362 (E_RNA)
where:
Base-Base interactions energy: -4.337
where: short stacking energy: -4.337
Base-Backbone interact. energy: 3.454
local terms energy: -28.913197
where:
bonds (distance) C4'-P energy: -7.354
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: 8.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 2.483333
Total energy: -33.875573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.875573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.875573 (E_RNA)
where:
Base-Base interactions energy: -4.321
where: short stacking energy: -3.205
Base-Backbone interact. energy: -1.259
local terms energy: -28.295578
where:
bonds (distance) C4'-P energy: -8.150
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -8.197
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: 8.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 84
Temperature: 2.500000
Total energy: -38.273169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.273169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.273169 (E_RNA)
where:
Base-Base interactions energy: -6.980
where: short stacking energy: -2.698
Base-Backbone interact. energy: -0.392
local terms energy: -30.900299
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -5.408
flat angles P-C4'-P energy: 2.602
tors. eta vs tors. theta energy: 0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 85
Temperature: 2.350000
Total energy: -41.512913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.512913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.512913 (E_RNA)
where:
Base-Base interactions energy: -10.267
where: short stacking energy: -10.214
Base-Backbone interact. energy: -0.786
local terms energy: -30.459997
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -1.073
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: 4.307
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: 5
=====================================
Write number: 85
Temperature: 2.366667
Total energy: -42.996914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.996914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.996914 (E_RNA)
where:
Base-Base interactions energy: -3.381
where: short stacking energy: -1.368
Base-Backbone interact. energy: -0.156
local terms energy: -39.460005
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -8.960
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: 10.064
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: 3, replica: 1
=====================================
Write number: 85
Temperature: 2.383333
Total energy: -38.568733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.568733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.568733 (E_RNA)
where:
Base-Base interactions energy: -2.436
where: short stacking energy: -2.436
Base-Backbone interact. energy: -0.225
local terms energy: -35.907672
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -8.623
flat angles P-C4'-P energy: -7.722
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: 4, replica: 3
=====================================
Write number: 85
Temperature: 2.400000
Total energy: -43.714705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.714705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.714705 (E_RNA)
where:
Base-Base interactions energy: -2.190
where: short stacking energy: -2.190
Base-Backbone interact. energy: -0.201
local terms energy: -41.324070
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -4.776
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: 2.982
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: 7
=====================================
Write number: 85
Temperature: 2.416667
Total energy: -37.867517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.867517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.867517 (E_RNA)
where:
Base-Base interactions energy: -12.806
where: short stacking energy: -12.183
Base-Backbone interact. energy: -0.173
local terms energy: -24.888625
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -6.960
flat angles P-C4'-P energy: 0.686
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: 6, replica: 9
=====================================
Write number: 85
Temperature: 2.433333
Total energy: -35.967171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.967171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.967171 (E_RNA)
where:
Base-Base interactions energy: -9.315
where: short stacking energy: -8.230
Base-Backbone interact. energy: -0.241
local terms energy: -26.411556
where:
bonds (distance) C4'-P energy: -6.040
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -4.136
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: 7, replica: 4
=====================================
Write number: 85
Temperature: 2.450000
Total energy: -34.843364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.843364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.843364 (E_RNA)
where:
Base-Base interactions energy: -10.585
where: short stacking energy: -9.536
Base-Backbone interact. energy: -1.007
local terms energy: -23.250916
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -1.040
tors. eta vs tors. theta energy: 13.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 2.466667
Total energy: -37.047495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.047495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.047495 (E_RNA)
where:
Base-Base interactions energy: -7.277
where: short stacking energy: -7.277
Base-Backbone interact. energy: -0.186
local terms energy: -29.585091
where:
bonds (distance) C4'-P energy: -6.071
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -9.763
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: 7.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 2.483333
Total energy: -40.105024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.105024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.105024 (E_RNA)
where:
Base-Base interactions energy: -9.842
where: short stacking energy: -8.177
Base-Backbone interact. energy: -0.305
local terms energy: -29.958330
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -6.721
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: 10.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 85
Temperature: 2.500000
Total energy: -37.527715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.527715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.527715 (E_RNA)
where:
Base-Base interactions energy: -5.378
where: short stacking energy: -5.378
Base-Backbone interact. energy: -0.286
local terms energy: -31.863891
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -6.257
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: 7.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 86
Temperature: 2.350000
Total energy: -39.398746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.398746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.398746 (E_RNA)
where:
Base-Base interactions energy: -13.264
where: short stacking energy: -12.417
Base-Backbone interact. energy: 0.791
local terms energy: -26.925576
where:
bonds (distance) C4'-P energy: -6.524
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -5.145
flat angles P-C4'-P energy: -1.829
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: 2, replica: 8
=====================================
Write number: 86
Temperature: 2.366667
Total energy: -36.655260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.655260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.655260 (E_RNA)
where:
Base-Base interactions energy: -8.218
where: short stacking energy: -7.619
Base-Backbone interact. energy: -0.288
local terms energy: -28.148918
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -6.755
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: 7.678
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: 3
=====================================
Write number: 86
Temperature: 2.383333
Total energy: -53.582649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.582649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.582649 (E_RNA)
where:
Base-Base interactions energy: -11.269
where: short stacking energy: -11.269
Base-Backbone interact. energy: -0.074
local terms energy: -42.239951
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -6.582
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: 1
=====================================
Write number: 86
Temperature: 2.400000
Total energy: -49.168217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.168217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.168217 (E_RNA)
where:
Base-Base interactions energy: -11.458
where: short stacking energy: -11.458
Base-Backbone interact. energy: -0.147
local terms energy: -37.563002
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: 4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 86
Temperature: 2.416667
Total energy: -40.219639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.219639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.219639 (E_RNA)
where:
Base-Base interactions energy: -8.892
where: short stacking energy: -5.882
Base-Backbone interact. energy: -0.300
local terms energy: -31.026903
where:
bonds (distance) C4'-P energy: -1.353
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: 8.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 86
Temperature: 2.433333
Total energy: -37.223619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.223619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.223619 (E_RNA)
where:
Base-Base interactions energy: -5.431
where: short stacking energy: -4.426
Base-Backbone interact. energy: -0.871
local terms energy: -30.920812
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: 10.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 2.450000
Total energy: -39.924349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.924349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.924349 (E_RNA)
where:
Base-Base interactions energy: -1.854
where: short stacking energy: -1.854
Base-Backbone interact. energy: -0.066
local terms energy: -38.004507
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -8.034
flat angles P-C4'-P energy: -1.170
tors. eta vs tors. theta energy: 4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 86
Temperature: 2.466667
Total energy: -35.516189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.516189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.516189 (E_RNA)
where:
Base-Base interactions energy: -13.027
where: short stacking energy: -13.027
Base-Backbone interact. energy: 1.042
local terms energy: -23.531686
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -9.183
flat angles C4'-P-C4' energy: -7.059
flat angles P-C4'-P energy: -2.222
tors. eta vs tors. theta energy: 10.732
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: 2
=====================================
Write number: 86
Temperature: 2.483333
Total energy: -31.089789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.089789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.089789 (E_RNA)
where:
Base-Base interactions energy: -13.772
where: short stacking energy: -8.951
Base-Backbone interact. energy: 1.852
local terms energy: -19.169054
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: 4.073
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: 10.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 2.500000
Total energy: -39.819914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.819914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.819914 (E_RNA)
where:
Base-Base interactions energy: -8.178
where: short stacking energy: -9.304
Base-Backbone interact. energy: -0.257
local terms energy: -31.384903
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -6.027
flat angles P-C4'-P energy: -4.448
tors. eta vs tors. theta energy: 5.643
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: 5
=====================================
Write number: 87
Temperature: 2.350000
Total energy: -39.617811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.617811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.617811 (E_RNA)
where:
Base-Base interactions energy: -3.556
where: short stacking energy: -3.556
Base-Backbone interact. energy: -0.035
local terms energy: -36.026983
where:
bonds (distance) C4'-P energy: -7.128
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -1.289
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: 2, replica: 3
=====================================
Write number: 87
Temperature: 2.366667
Total energy: -39.179275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.179275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.179275 (E_RNA)
where:
Base-Base interactions energy: -9.054
where: short stacking energy: -8.473
Base-Backbone interact. energy: -0.231
local terms energy: -29.894239
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -2.677
tors. eta vs tors. theta energy: 5.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 87
Temperature: 2.383333
Total energy: -39.509456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.509456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.509456 (E_RNA)
where:
Base-Base interactions energy: -11.023
where: short stacking energy: -11.023
Base-Backbone interact. energy: 4.470
local terms energy: -32.956025
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -19.655
flat angles C4'-P-C4' energy: -9.711
flat angles P-C4'-P energy: 2.011
tors. eta vs tors. theta energy: 5.748
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: 9
=====================================
Write number: 87
Temperature: 2.400000
Total energy: -39.185434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.185434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.185434 (E_RNA)
where:
Base-Base interactions energy: -10.793
where: short stacking energy: -10.793
Base-Backbone interact. energy: -0.156
local terms energy: -28.236462
where:
bonds (distance) C4'-P energy: -6.184
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: 1.988
tors. eta vs tors. theta energy: 7.142
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: 1
=====================================
Write number: 87
Temperature: 2.416667
Total energy: -35.436823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.436823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.436823 (E_RNA)
where:
Base-Base interactions energy: -9.057
where: short stacking energy: -5.818
Base-Backbone interact. energy: 2.937
local terms energy: -29.317309
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -4.931
tors. eta vs tors. theta energy: 7.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 87
Temperature: 2.433333
Total energy: -31.617608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.617608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.617608 (E_RNA)
where:
Base-Base interactions energy: -8.816
where: short stacking energy: -8.503
Base-Backbone interact. energy: 1.065
local terms energy: -23.866336
where:
bonds (distance) C4'-P energy: -1.327
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -10.052
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: 7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 87
Temperature: 2.450000
Total energy: -40.894918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.894918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.894918 (E_RNA)
where:
Base-Base interactions energy: -4.411
where: short stacking energy: -3.144
Base-Backbone interact. energy: 1.479
local terms energy: -37.963789
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -5.190
flat angles P-C4'-P energy: -10.885
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: 8, replica: 2
=====================================
Write number: 87
Temperature: 2.466667
Total energy: -38.938507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.938507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.938507 (E_RNA)
where:
Base-Base interactions energy: -8.569
where: short stacking energy: -4.736
Base-Backbone interact. energy: -0.381
local terms energy: -29.988681
where:
bonds (distance) C4'-P energy: -4.577
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -9.464
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: 9, replica: 4
=====================================
Write number: 87
Temperature: 2.483333
Total energy: -31.194556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.194556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.194556 (E_RNA)
where:
Base-Base interactions energy: -2.033
where: short stacking energy: -0.169
Base-Backbone interact. energy: -0.308
local terms energy: -28.853412
where:
bonds (distance) C4'-P energy: -6.452
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: 12.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 87
Temperature: 2.500000
Total energy: -36.132319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.132319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.132319 (E_RNA)
where:
Base-Base interactions energy: -4.879
where: short stacking energy: -3.685
Base-Backbone interact. energy: -0.114
local terms energy: -31.139266
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -0.877
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: 5.023
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: 1, replica: 3
=====================================
Write number: 88
Temperature: 2.350000
Total energy: -41.946584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.946584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.946584 (E_RNA)
where:
Base-Base interactions energy: -8.612
where: short stacking energy: -3.003
Base-Backbone interact. energy: -0.955
local terms energy: -32.379126
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -3.135
tors. eta vs tors. theta energy: 7.697
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: 5
=====================================
Write number: 88
Temperature: 2.366667
Total energy: -38.487952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.487952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.487952 (E_RNA)
where:
Base-Base interactions energy: -13.838
where: short stacking energy: -11.915
Base-Backbone interact. energy: -0.147
local terms energy: -24.503028
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -4.040
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -1.609
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: 3, replica: 8
=====================================
Write number: 88
Temperature: 2.383333
Total energy: -36.179380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.179380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.179380 (E_RNA)
where:
Base-Base interactions energy: -6.094
where: short stacking energy: -2.347
Base-Backbone interact. energy: -0.270
local terms energy: -29.815192
where:
bonds (distance) C4'-P energy: -5.683
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: 10.116
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: 4, replica: 9
=====================================
Write number: 88
Temperature: 2.400000
Total energy: -38.044804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.044804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.044804 (E_RNA)
where:
Base-Base interactions energy: -5.902
where: short stacking energy: -5.505
Base-Backbone interact. energy: -0.125
local terms energy: -32.017718
where:
bonds (distance) C4'-P energy: -8.976
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: 6.296
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: 10
=====================================
Write number: 88
Temperature: 2.416667
Total energy: -32.707258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.707258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.707258 (E_RNA)
where:
Base-Base interactions energy: -5.258
where: short stacking energy: -4.142
Base-Backbone interact. energy: -0.149
local terms energy: -27.300788
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: 3.053
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: 6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 88
Temperature: 2.433333
Total energy: -36.974409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.974409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.974409 (E_RNA)
where:
Base-Base interactions energy: -7.268
where: short stacking energy: -5.979
Base-Backbone interact. energy: -0.100
local terms energy: -29.605924
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -3.290
tors. eta vs tors. theta energy: 11.872
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: 2
=====================================
Write number: 88
Temperature: 2.450000
Total energy: -38.437967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.437967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.437967 (E_RNA)
where:
Base-Base interactions energy: -6.930
where: short stacking energy: -6.463
Base-Backbone interact. energy: 0.130
local terms energy: -31.638139
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -3.421
tors. eta vs tors. theta energy: 9.907
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: 7
=====================================
Write number: 88
Temperature: 2.466667
Total energy: -39.249988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.249988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.249988 (E_RNA)
where:
Base-Base interactions energy: -6.491
where: short stacking energy: -3.390
Base-Backbone interact. energy: 0.739
local terms energy: -33.498057
where:
bonds (distance) C4'-P energy: -8.824
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -8.183
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: 3.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 2.483333
Total energy: -36.013701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.013701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.013701 (E_RNA)
where:
Base-Base interactions energy: -10.317
where: short stacking energy: -8.875
Base-Backbone interact. energy: -0.594
local terms energy: -25.102879
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -9.734
flat angles C4'-P-C4' energy: -2.700
flat angles P-C4'-P energy: -6.447
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: 10, replica: 4
=====================================
Write number: 88
Temperature: 2.500000
Total energy: -36.147937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.147937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.147937 (E_RNA)
where:
Base-Base interactions energy: -14.475
where: short stacking energy: -11.584
Base-Backbone interact. energy: 3.798
local terms energy: -25.471341
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -8.503
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -1.921
tors. eta vs tors. theta energy: 8.255
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: 1, replica: 3
=====================================
Write number: 89
Temperature: 2.350000
Total energy: -36.855744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.855744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.855744 (E_RNA)
where:
Base-Base interactions energy: -5.196
where: short stacking energy: -5.196
Base-Backbone interact. energy: -0.117
local terms energy: -31.542786
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: 0.931
tors. eta vs tors. theta energy: 6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 89
Temperature: 2.366667
Total energy: -36.393344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.393344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.393344 (E_RNA)
where:
Base-Base interactions energy: -5.894
where: short stacking energy: -5.410
Base-Backbone interact. energy: -0.050
local terms energy: -30.450236
where:
bonds (distance) C4'-P energy: -8.187
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -7.479
flat angles P-C4'-P energy: -4.104
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: 5
=====================================
Write number: 89
Temperature: 2.383333
Total energy: -41.251320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.251320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.251320 (E_RNA)
where:
Base-Base interactions energy: -5.871
where: short stacking energy: -1.734
Base-Backbone interact. energy: -0.334
local terms energy: -35.045980
where:
bonds (distance) C4'-P energy: -8.725
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: 11.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 89
Temperature: 2.400000
Total energy: -35.812491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.812491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.812491 (E_RNA)
where:
Base-Base interactions energy: -5.442
where: short stacking energy: -3.703
Base-Backbone interact. energy: -0.304
local terms energy: -30.066633
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -6.870
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: 13.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 89
Temperature: 2.416667
Total energy: -35.417010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.417010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.417010 (E_RNA)
where:
Base-Base interactions energy: -3.240
where: short stacking energy: -3.240
Base-Backbone interact. energy: 0.272
local terms energy: -32.448667
where:
bonds (distance) C4'-P energy: -8.418
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: 6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 89
Temperature: 2.433333
Total energy: -32.720252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.720252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.720252 (E_RNA)
where:
Base-Base interactions energy: -2.642
where: short stacking energy: -2.075
Base-Backbone interact. energy: 0.098
local terms energy: -30.176353
where:
bonds (distance) C4'-P energy: -5.479
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: 6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 89
Temperature: 2.450000
Total energy: -35.851336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.851336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.851336 (E_RNA)
where:
Base-Base interactions energy: -7.676
where: short stacking energy: -6.077
Base-Backbone interact. energy: -0.012
local terms energy: -28.163516
where:
bonds (distance) C4'-P energy: -8.638
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -4.349
tors. eta vs tors. theta energy: 4.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 89
Temperature: 2.466667
Total energy: -37.381723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.381723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.381723 (E_RNA)
where:
Base-Base interactions energy: -13.757
where: short stacking energy: -13.879
Base-Backbone interact. energy: -0.251
local terms energy: -23.373051
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -9.510
flat angles C4'-P-C4' energy: -1.637
flat angles P-C4'-P energy: -2.603
tors. eta vs tors. theta energy: 0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 89
Temperature: 2.483333
Total energy: -36.592839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.592839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.592839 (E_RNA)
where:
Base-Base interactions energy: -9.059
where: short stacking energy: -6.930
Base-Backbone interact. energy: -0.468
local terms energy: -27.066190
where:
bonds (distance) C4'-P energy: -8.200
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -8.069
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: 10.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 89
Temperature: 2.500000
Total energy: -40.896534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.896534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.896534 (E_RNA)
where:
Base-Base interactions energy: -2.117
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.613
local terms energy: -38.166707
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: 12.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 90
Temperature: 2.350000
Total energy: -34.736300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.736300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.736300 (E_RNA)
where:
Base-Base interactions energy: -8.929
where: short stacking energy: -8.371
Base-Backbone interact. energy: 0.760
local terms energy: -26.568128
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -6.510
flat angles C4'-P-C4' energy: -7.096
flat angles P-C4'-P energy: -3.455
tors. eta vs tors. theta energy: 1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 2.366667
Total energy: -39.769206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.769206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.769206 (E_RNA)
where:
Base-Base interactions energy: -6.375
where: short stacking energy: -4.913
Base-Backbone interact. energy: -0.443
local terms energy: -32.951885
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -11.551
flat angles C4'-P-C4' energy: -4.051
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: 7.660
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: 90
Temperature: 2.383333
Total energy: -39.816377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.816377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.816377 (E_RNA)
where:
Base-Base interactions energy: -8.811
where: short stacking energy: -8.632
Base-Backbone interact. energy: -0.079
local terms energy: -30.925910
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -9.331
flat angles C4'-P-C4' energy: -5.080
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: 4.937
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: 4, replica: 5
=====================================
Write number: 90
Temperature: 2.400000
Total energy: -40.208201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.208201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.208201 (E_RNA)
where:
Base-Base interactions energy: -3.981
where: short stacking energy: -2.583
Base-Backbone interact. energy: 1.482
local terms energy: -37.709872
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -6.476
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: 6.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 2.416667
Total energy: -36.884094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.884094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.884094 (E_RNA)
where:
Base-Base interactions energy: -11.508
where: short stacking energy: -11.508
Base-Backbone interact. energy: -0.211
local terms energy: -25.165295
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: 2.465
flat angles P-C4'-P energy: 0.438
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: 6, replica: 9
=====================================
Write number: 90
Temperature: 2.433333
Total energy: -39.219481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.219481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.219481 (E_RNA)
where:
Base-Base interactions energy: -6.802
where: short stacking energy: -6.255
Base-Backbone interact. energy: 0.986
local terms energy: -33.403510
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: 7.072
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: 6
=====================================
Write number: 90
Temperature: 2.450000
Total energy: -37.866779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.866779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.866779 (E_RNA)
where:
Base-Base interactions energy: -3.437
where: short stacking energy: -3.437
Base-Backbone interact. energy: -0.078
local terms energy: -34.351680
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -7.015
flat angles P-C4'-P energy: -3.024
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: 8, replica: 1
=====================================
Write number: 90
Temperature: 2.466667
Total energy: -39.098612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.098612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.098612 (E_RNA)
where:
Base-Base interactions energy: -11.732
where: short stacking energy: -8.522
Base-Backbone interact. energy: 1.088
local terms energy: -28.454883
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -8.268
flat angles C4'-P-C4' energy: -9.585
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: 9.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 90
Temperature: 2.483333
Total energy: -36.386050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.386050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.386050 (E_RNA)
where:
Base-Base interactions energy: -2.287
where: short stacking energy: -2.188
Base-Backbone interact. energy: -0.968
local terms energy: -33.130296
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -3.690
tors. eta vs tors. theta energy: 7.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 90
Temperature: 2.500000
Total energy: -37.673865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.673865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.673865 (E_RNA)
where:
Base-Base interactions energy: -8.869
where: short stacking energy: -8.720
Base-Backbone interact. energy: 1.280
local terms energy: -30.085429
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -9.171
flat angles C4'-P-C4' energy: -3.374
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: 8.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 91
Temperature: 2.350000
Total energy: -40.980736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.980736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.980736 (E_RNA)
where:
Base-Base interactions energy: -4.980
where: short stacking energy: -2.850
Base-Backbone interact. energy: 0.493
local terms energy: -36.494091
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: 7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 91
Temperature: 2.366667
Total energy: -35.080436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.080436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.080436 (E_RNA)
where:
Base-Base interactions energy: -7.352
where: short stacking energy: -7.082
Base-Backbone interact. energy: -0.228
local terms energy: -27.500371
where:
bonds (distance) C4'-P energy: -1.384
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -5.171
flat angles P-C4'-P energy: -13.119
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: 3, replica: 3
=====================================
Write number: 91
Temperature: 2.383333
Total energy: -42.926414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.926414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.926414 (E_RNA)
where:
Base-Base interactions energy: -9.869
where: short stacking energy: -8.021
Base-Backbone interact. energy: -0.439
local terms energy: -32.618942
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -7.528
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: 8.670
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: 2
=====================================
Write number: 91
Temperature: 2.400000
Total energy: -34.780967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.780967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.780967 (E_RNA)
where:
Base-Base interactions energy: -10.976
where: short stacking energy: -10.867
Base-Backbone interact. energy: -0.266
local terms energy: -23.539368
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -7.057
flat angles P-C4'-P energy: 1.347
tors. eta vs tors. theta energy: 7.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 91
Temperature: 2.416667
Total energy: -37.882831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.882831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.882831 (E_RNA)
where:
Base-Base interactions energy: -1.237
where: short stacking energy: -0.392
Base-Backbone interact. energy: 3.268
local terms energy: -39.913237
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -0.776
tors. eta vs tors. theta energy: 6.428
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: 6
=====================================
Write number: 91
Temperature: 2.433333
Total energy: -39.429528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.429528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.429528 (E_RNA)
where:
Base-Base interactions energy: -2.289
where: short stacking energy: -0.800
Base-Backbone interact. energy: -0.209
local terms energy: -36.931391
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -4.602
flat angles P-C4'-P energy: -9.416
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: 7, replica: 9
=====================================
Write number: 91
Temperature: 2.450000
Total energy: -31.378923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.378923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.378923 (E_RNA)
where:
Base-Base interactions energy: -0.965
where: short stacking energy: -0.230
Base-Backbone interact. energy: -0.519
local terms energy: -29.895050
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -4.246
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: 9.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 2.466667
Total energy: -41.576304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.576304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.576304 (E_RNA)
where:
Base-Base interactions energy: -3.130
where: short stacking energy: 0.214
Base-Backbone interact. energy: -0.408
local terms energy: -38.038450
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -4.051
tors. eta vs tors. theta energy: 11.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 91
Temperature: 2.483333
Total energy: -38.783690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.783690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.783690 (E_RNA)
where:
Base-Base interactions energy: -10.261
where: short stacking energy: -9.772
Base-Backbone interact. energy: -0.199
local terms energy: -28.323667
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -10.295
flat angles C4'-P-C4' energy: -3.672
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: 7.020
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: 7
=====================================
Write number: 91
Temperature: 2.500000
Total energy: -37.054036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.054036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.054036 (E_RNA)
where:
Base-Base interactions energy: -9.630
where: short stacking energy: -9.975
Base-Backbone interact. energy: 4.918
local terms energy: -32.342445
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -1.631
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: 6.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 92
Temperature: 2.350000
Total energy: -41.385672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.385672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.385672 (E_RNA)
where:
Base-Base interactions energy: -8.399
where: short stacking energy: -7.947
Base-Backbone interact. energy: -0.301
local terms energy: -32.686363
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -9.173
flat angles C4'-P-C4' energy: -8.298
flat angles P-C4'-P energy: -3.698
tors. eta vs tors. theta energy: 1.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 92
Temperature: 2.366667
Total energy: -34.788901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.788901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.788901 (E_RNA)
where:
Base-Base interactions energy: -5.738
where: short stacking energy: -4.613
Base-Backbone interact. energy: -0.579
local terms energy: -28.471885
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -9.838
flat angles P-C4'-P energy: -1.375
tors. eta vs tors. theta energy: 10.198
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: 3
=====================================
Write number: 92
Temperature: 2.383333
Total energy: -50.153922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.153922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.153922 (E_RNA)
where:
Base-Base interactions energy: -12.475
where: short stacking energy: -9.826
Base-Backbone interact. energy: -0.635
local terms energy: -37.044456
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: 9.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 2.400000
Total energy: -40.510971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.510971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.510971 (E_RNA)
where:
Base-Base interactions energy: -8.268
where: short stacking energy: -8.268
Base-Backbone interact. energy: 0.221
local terms energy: -32.463890
where:
bonds (distance) C4'-P energy: -8.004
bonds (distance) P-C4' energy: -8.813
flat angles C4'-P-C4' energy: -8.400
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: 3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 92
Temperature: 2.416667
Total energy: -34.865937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.865937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.865937 (E_RNA)
where:
Base-Base interactions energy: -11.121
where: short stacking energy: -4.979
Base-Backbone interact. energy: -0.608
local terms energy: -23.136639
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -7.178
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -4.670
tors. eta vs tors. theta energy: 8.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 92
Temperature: 2.433333
Total energy: -33.291761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.291761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.291761 (E_RNA)
where:
Base-Base interactions energy: -4.601
where: short stacking energy: -2.379
Base-Backbone interact. energy: 1.057
local terms energy: -29.747254
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: 2.620
tors. eta vs tors. theta energy: 0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 92
Temperature: 2.450000
Total energy: -41.046255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.046255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.046255 (E_RNA)
where:
Base-Base interactions energy: -6.875
where: short stacking energy: -4.419
Base-Backbone interact. energy: -0.128
local terms energy: -34.043834
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -8.235
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: 6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 92
Temperature: 2.466667
Total energy: -36.718676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.718676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.718676 (E_RNA)
where:
Base-Base interactions energy: -12.727
where: short stacking energy: -10.059
Base-Backbone interact. energy: 1.865
local terms energy: -25.857243
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -5.400
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -2.066
tors. eta vs tors. theta energy: 6.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 92
Temperature: 2.483333
Total energy: -32.208521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.208521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.208521 (E_RNA)
where:
Base-Base interactions energy: -7.377
where: short stacking energy: -4.294
Base-Backbone interact. energy: 0.466
local terms energy: -25.297284
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -5.659
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -0.604
tors. eta vs tors. theta energy: 7.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 92
Temperature: 2.500000
Total energy: -43.927490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.927490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.927490 (E_RNA)
where:
Base-Base interactions energy: -10.650
where: short stacking energy: -11.693
Base-Backbone interact. energy: -0.126
local terms energy: -33.151508
where:
bonds (distance) C4'-P energy: -3.757
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -6.064
flat angles P-C4'-P energy: -7.953
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: 1, replica: 10
=====================================
Write number: 93
Temperature: 2.350000
Total energy: -41.414856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.414856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.414856 (E_RNA)
where:
Base-Base interactions energy: -3.838
where: short stacking energy: -2.919
Base-Backbone interact. energy: -0.339
local terms energy: -37.237994
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -1.854
tors. eta vs tors. theta energy: 12.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 93
Temperature: 2.366667
Total energy: -34.996674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.996674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.996674 (E_RNA)
where:
Base-Base interactions energy: -0.027
where: short stacking energy: 0.123
Base-Backbone interact. energy: -0.474
local terms energy: -34.495348
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -4.339
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: 8
=====================================
Write number: 93
Temperature: 2.383333
Total energy: -39.574375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.574375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.574375 (E_RNA)
where:
Base-Base interactions energy: -2.945
where: short stacking energy: -1.861
Base-Backbone interact. energy: 0.366
local terms energy: -36.995087
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: 1.388
flat angles P-C4'-P energy: -12.992
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: 4, replica: 6
=====================================
Write number: 93
Temperature: 2.400000
Total energy: -38.208303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.208303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.208303 (E_RNA)
where:
Base-Base interactions energy: -3.399
where: short stacking energy: -2.603
Base-Backbone interact. energy: 3.316
local terms energy: -38.124795
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: 9.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 2.416667
Total energy: -37.467837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.467837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.467837 (E_RNA)
where:
Base-Base interactions energy: -7.490
where: short stacking energy: -3.960
Base-Backbone interact. energy: -0.276
local terms energy: -29.701854
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -1.483
tors. eta vs tors. theta energy: 7.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 93
Temperature: 2.433333
Total energy: -35.239504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.239504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.239504 (E_RNA)
where:
Base-Base interactions energy: -6.300
where: short stacking energy: -5.704
Base-Backbone interact. energy: -0.274
local terms energy: -28.665485
where:
bonds (distance) C4'-P energy: -6.368
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -5.297
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: 7, replica: 5
=====================================
Write number: 93
Temperature: 2.450000
Total energy: -36.828473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.828473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.828473 (E_RNA)
where:
Base-Base interactions energy: -5.561
where: short stacking energy: -5.561
Base-Backbone interact. energy: 2.481
local terms energy: -33.748510
where:
bonds (distance) C4'-P energy: -5.486
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: 11.070
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: 8, replica: 7
=====================================
Write number: 93
Temperature: 2.466667
Total energy: -41.184125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.184125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.184125 (E_RNA)
where:
Base-Base interactions energy: -17.904
where: short stacking energy: -14.725
Base-Backbone interact. energy: 1.519
local terms energy: -24.799312
where:
bonds (distance) C4'-P energy: -7.874
bonds (distance) P-C4' energy: -18.410
flat angles C4'-P-C4' energy: -9.993
flat angles P-C4'-P energy: 8.208
tors. eta vs tors. theta energy: 3.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 2.483333
Total energy: -43.254281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.254281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.254281 (E_RNA)
where:
Base-Base interactions energy: -6.119
where: short stacking energy: -4.642
Base-Backbone interact. energy: -0.374
local terms energy: -36.761357
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -4.096
tors. eta vs tors. theta energy: 9.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 93
Temperature: 2.500000
Total energy: -36.987811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.987811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.987811 (E_RNA)
where:
Base-Base interactions energy: -4.552
where: short stacking energy: -5.052
Base-Backbone interact. energy: -0.316
local terms energy: -32.120415
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -6.921
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: 10.173
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: 3
=====================================
Write number: 94
Temperature: 2.350000
Total energy: -38.042097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.042097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.042097 (E_RNA)
where:
Base-Base interactions energy: -10.132
where: short stacking energy: -10.132
Base-Backbone interact. energy: 7.054
local terms energy: -34.964034
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -7.856
flat angles P-C4'-P energy: -1.643
tors. eta vs tors. theta energy: 7.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 94
Temperature: 2.366667
Total energy: -46.932542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.932542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.932542 (E_RNA)
where:
Base-Base interactions energy: -13.286
where: short stacking energy: -13.286
Base-Backbone interact. energy: -0.476
local terms energy: -33.170216
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -9.402
flat angles C4'-P-C4' energy: -5.220
flat angles P-C4'-P energy: -7.690
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: 3, replica: 6
=====================================
Write number: 94
Temperature: 2.383333
Total energy: -40.291532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.291532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.291532 (E_RNA)
where:
Base-Base interactions energy: -3.638
where: short stacking energy: -3.638
Base-Backbone interact. energy: -0.276
local terms energy: -36.377700
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -3.472
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: 4, replica: 8
=====================================
Write number: 94
Temperature: 2.400000
Total energy: -40.227772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.227772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.227772 (E_RNA)
where:
Base-Base interactions energy: -9.397
where: short stacking energy: -5.928
Base-Backbone interact. energy: 2.391
local terms energy: -33.220854
where:
bonds (distance) C4'-P energy: -7.121
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: 4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 94
Temperature: 2.416667
Total energy: -44.666833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.666833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.666833 (E_RNA)
where:
Base-Base interactions energy: -11.495
where: short stacking energy: -11.495
Base-Backbone interact. energy: -0.105
local terms energy: -33.067357
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -0.339
flat angles P-C4'-P energy: -7.847
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: 6, replica: 2
=====================================
Write number: 94
Temperature: 2.433333
Total energy: -33.596386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.596386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.596386 (E_RNA)
where:
Base-Base interactions energy: -5.916
where: short stacking energy: -5.010
Base-Backbone interact. energy: -1.091
local terms energy: -26.589843
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -8.317
flat angles P-C4'-P energy: -3.048
tors. eta vs tors. theta energy: 4.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 94
Temperature: 2.450000
Total energy: -40.112709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.112709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.112709 (E_RNA)
where:
Base-Base interactions energy: -7.513
where: short stacking energy: -7.513
Base-Backbone interact. energy: -0.295
local terms energy: -32.304760
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -2.712
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: 5.965
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: 8, replica: 5
=====================================
Write number: 94
Temperature: 2.466667
Total energy: -35.575080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.575080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.575080 (E_RNA)
where:
Base-Base interactions energy: -7.702
where: short stacking energy: -6.052
Base-Backbone interact. energy: -0.347
local terms energy: -27.526102
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -7.169
flat angles P-C4'-P energy: -5.037
tors. eta vs tors. theta energy: 12.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 94
Temperature: 2.483333
Total energy: -38.267933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.267933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.267933 (E_RNA)
where:
Base-Base interactions energy: -2.384
where: short stacking energy: -2.338
Base-Backbone interact. energy: 0.114
local terms energy: -35.998111
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -2.524
tors. eta vs tors. theta energy: 9.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 2.500000
Total energy: -36.306642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.306642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.306642 (E_RNA)
where:
Base-Base interactions energy: -6.749
where: short stacking energy: -5.182
Base-Backbone interact. energy: 1.577
local terms energy: -31.134919
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -8.791
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: 9.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 2.350000
Total energy: -39.110184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.110184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.110184 (E_RNA)
where:
Base-Base interactions energy: -9.386
where: short stacking energy: -8.571
Base-Backbone interact. energy: -0.226
local terms energy: -29.498840
where:
bonds (distance) C4'-P energy: -9.372
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: 1.500
tors. eta vs tors. theta energy: 6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 95
Temperature: 2.366667
Total energy: -53.547463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.547463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.547463 (E_RNA)
where:
Base-Base interactions energy: -13.220
where: short stacking energy: -13.220
Base-Backbone interact. energy: -0.992
local terms energy: -39.335201
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -4.081
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: 3, replica: 10
=====================================
Write number: 95
Temperature: 2.383333
Total energy: -40.572700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.572700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.572700 (E_RNA)
where:
Base-Base interactions energy: -10.815
where: short stacking energy: -8.329
Base-Backbone interact. energy: -0.460
local terms energy: -29.298208
where:
bonds (distance) C4'-P energy: -1.832
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -3.437
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: 4, replica: 4
=====================================
Write number: 95
Temperature: 2.400000
Total energy: -44.980152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.980152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.980152 (E_RNA)
where:
Base-Base interactions energy: -8.943
where: short stacking energy: -8.415
Base-Backbone interact. energy: -0.702
local terms energy: -35.335537
where:
bonds (distance) C4'-P energy: -5.262
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: 4.179
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: 5, replica: 8
=====================================
Write number: 95
Temperature: 2.416667
Total energy: -38.184356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.184356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.184356 (E_RNA)
where:
Base-Base interactions energy: -8.024
where: short stacking energy: -8.024
Base-Backbone interact. energy: -0.063
local terms energy: -30.097463
where:
bonds (distance) C4'-P energy: -5.227
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -2.550
flat angles P-C4'-P energy: -11.887
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: 6, replica: 7
=====================================
Write number: 95
Temperature: 2.433333
Total energy: -34.315838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.315838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.315838 (E_RNA)
where:
Base-Base interactions energy: -5.861
where: short stacking energy: -3.847
Base-Backbone interact. energy: -0.553
local terms energy: -27.901661
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -7.205
flat angles P-C4'-P energy: 0.224
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: 7, replica: 2
=====================================
Write number: 95
Temperature: 2.450000
Total energy: -37.652398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.652398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.652398 (E_RNA)
where:
Base-Base interactions energy: -8.050
where: short stacking energy: -8.050
Base-Backbone interact. energy: 3.877
local terms energy: -33.479559
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -1.053
tors. eta vs tors. theta energy: 8.137
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: 8, replica: 1
=====================================
Write number: 95
Temperature: 2.466667
Total energy: -39.059906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.059906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.059906 (E_RNA)
where:
Base-Base interactions energy: -13.041
where: short stacking energy: -9.709
Base-Backbone interact. energy: -0.468
local terms energy: -25.550692
where:
bonds (distance) C4'-P energy: -2.060
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -8.225
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: 7.740
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: 5
=====================================
Write number: 95
Temperature: 2.483333
Total energy: -34.341479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.341479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.341479 (E_RNA)
where:
Base-Base interactions energy: -5.130
where: short stacking energy: -3.750
Base-Backbone interact. energy: -0.591
local terms energy: -28.619923
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -7.636
flat angles P-C4'-P energy: -1.738
tors. eta vs tors. theta energy: 10.116
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: 9
=====================================
Write number: 95
Temperature: 2.500000
Total energy: -39.833339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.833339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.833339 (E_RNA)
where:
Base-Base interactions energy: -10.166
where: short stacking energy: -9.417
Base-Backbone interact. energy: 0.484
local terms energy: -30.151923
where:
bonds (distance) C4'-P energy: -8.051
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -7.199
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: 7.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 96
Temperature: 2.350000
Total energy: -42.718605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.718605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.718605 (E_RNA)
where:
Base-Base interactions energy: -7.408
where: short stacking energy: -6.065
Base-Backbone interact. energy: -0.170
local terms energy: -35.140861
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -1.290
tors. eta vs tors. theta energy: 4.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 96
Temperature: 2.366667
Total energy: -36.150669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.150669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.150669 (E_RNA)
where:
Base-Base interactions energy: -4.626
where: short stacking energy: -1.363
Base-Backbone interact. energy: 0.208
local terms energy: -31.732535
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -7.219
flat angles P-C4'-P energy: -4.882
tors. eta vs tors. theta energy: 6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 96
Temperature: 2.383333
Total energy: -32.404434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.404434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.404434 (E_RNA)
where:
Base-Base interactions energy: -6.446
where: short stacking energy: -5.421
Base-Backbone interact. energy: -0.126
local terms energy: -25.832131
where:
bonds (distance) C4'-P energy: -4.198
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -9.877
flat angles P-C4'-P energy: -0.968
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: 10
=====================================
Write number: 96
Temperature: 2.400000
Total energy: -45.178543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.178543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.178543 (E_RNA)
where:
Base-Base interactions energy: -12.406
where: short stacking energy: -8.319
Base-Backbone interact. energy: -0.426
local terms energy: -32.345980
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -0.515
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: 5, replica: 7
=====================================
Write number: 96
Temperature: 2.416667
Total energy: -39.608306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.608306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.608306 (E_RNA)
where:
Base-Base interactions energy: -7.483
where: short stacking energy: -5.799
Base-Backbone interact. energy: -0.548
local terms energy: -31.577684
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -3.071
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: 8.295
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: 8
=====================================
Write number: 96
Temperature: 2.433333
Total energy: -38.179271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.179271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.179271 (E_RNA)
where:
Base-Base interactions energy: -9.363
where: short stacking energy: -7.044
Base-Backbone interact. energy: -0.815
local terms energy: -28.001245
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -8.208
flat angles P-C4'-P energy: 4.141
tors. eta vs tors. theta energy: 2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 96
Temperature: 2.450000
Total energy: -39.431025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.431025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.431025 (E_RNA)
where:
Base-Base interactions energy: -6.746
where: short stacking energy: -4.842
Base-Backbone interact. energy: 1.150
local terms energy: -33.835020
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: 10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 96
Temperature: 2.466667
Total energy: -35.550093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.550093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.550093 (E_RNA)
where:
Base-Base interactions energy: -8.806
where: short stacking energy: -8.757
Base-Backbone interact. energy: -0.490
local terms energy: -26.253967
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -9.083
flat angles C4'-P-C4' energy: -6.447
flat angles P-C4'-P energy: -1.612
tors. eta vs tors. theta energy: 6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 2.483333
Total energy: -34.070867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.070867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.070867 (E_RNA)
where:
Base-Base interactions energy: -11.487
where: short stacking energy: -10.459
Base-Backbone interact. energy: 0.824
local terms energy: -23.407967
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: 6.218
tors. eta vs tors. theta energy: 10.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 96
Temperature: 2.500000
Total energy: -32.623477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.623477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.623477 (E_RNA)
where:
Base-Base interactions energy: -5.371
where: short stacking energy: -5.161
Base-Backbone interact. energy: -0.253
local terms energy: -26.999330
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -0.958
tors. eta vs tors. theta energy: 10.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 97
Temperature: 2.350000
Total energy: -40.375665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.375665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.375665 (E_RNA)
where:
Base-Base interactions energy: -13.033
where: short stacking energy: -11.385
Base-Backbone interact. energy: -0.091
local terms energy: -27.251803
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -2.621
tors. eta vs tors. theta energy: 9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 97
Temperature: 2.366667
Total energy: -42.187812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.187812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.187812 (E_RNA)
where:
Base-Base interactions energy: -7.064
where: short stacking energy: -4.462
Base-Backbone interact. energy: -0.345
local terms energy: -34.778401
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -4.381
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: 4.880
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: 3, replica: 3
=====================================
Write number: 97
Temperature: 2.383333
Total energy: -40.135037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.135037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.135037 (E_RNA)
where:
Base-Base interactions energy: -1.748
where: short stacking energy: -1.907
Base-Backbone interact. energy: -0.778
local terms energy: -37.608821
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: 8.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 97
Temperature: 2.400000
Total energy: -35.386027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.386027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.386027 (E_RNA)
where:
Base-Base interactions energy: -11.369
where: short stacking energy: -8.968
Base-Backbone interact. energy: -0.270
local terms energy: -23.746968
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -10.385
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: 1.452
tors. eta vs tors. theta energy: 6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 97
Temperature: 2.416667
Total energy: -35.502617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.502617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.502617 (E_RNA)
where:
Base-Base interactions energy: -10.277
where: short stacking energy: -9.977
Base-Backbone interact. energy: -0.112
local terms energy: -25.113451
where:
bonds (distance) C4'-P energy: 0.796
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -9.126
flat angles P-C4'-P energy: -2.598
tors. eta vs tors. theta energy: 1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 97
Temperature: 2.433333
Total energy: -36.896271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.896271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.896271 (E_RNA)
where:
Base-Base interactions energy: -13.656
where: short stacking energy: -10.894
Base-Backbone interact. energy: 0.455
local terms energy: -23.695002
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -8.467
flat angles P-C4'-P energy: -0.826
tors. eta vs tors. theta energy: 7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 97
Temperature: 2.450000
Total energy: -41.165013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.165013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.165013 (E_RNA)
where:
Base-Base interactions energy: -9.557
where: short stacking energy: -6.723
Base-Backbone interact. energy: -0.694
local terms energy: -30.913186
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: 9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 97
Temperature: 2.466667
Total energy: -32.860194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.860194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.860194 (E_RNA)
where:
Base-Base interactions energy: -3.616
where: short stacking energy: -3.128
Base-Backbone interact. energy: -0.261
local terms energy: -28.983644
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -7.298
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: 9.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 97
Temperature: 2.483333
Total energy: -34.937226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.937226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.937226 (E_RNA)
where:
Base-Base interactions energy: -8.067
where: short stacking energy: -8.067
Base-Backbone interact. energy: 1.024
local terms energy: -27.893666
where:
bonds (distance) C4'-P energy: -6.750
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: 8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 97
Temperature: 2.500000
Total energy: -44.540694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.540694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.540694 (E_RNA)
where:
Base-Base interactions energy: -9.588
where: short stacking energy: -5.884
Base-Backbone interact. energy: -0.447
local terms energy: -34.505454
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -8.354
flat angles C4'-P-C4' energy: -8.066
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: 2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 98
Temperature: 2.350000
Total energy: -48.681517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.681517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.681517 (E_RNA)
where:
Base-Base interactions energy: -9.134
where: short stacking energy: -8.555
Base-Backbone interact. energy: -0.109
local terms energy: -39.438529
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -7.798
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: 2, replica: 4
=====================================
Write number: 98
Temperature: 2.366667
Total energy: -38.609380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.609380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.609380 (E_RNA)
where:
Base-Base interactions energy: -14.440
where: short stacking energy: -12.062
Base-Backbone interact. energy: -0.043
local terms energy: -24.126025
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: 7.572
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: 7.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 2.383333
Total energy: -40.325016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.325016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.325016 (E_RNA)
where:
Base-Base interactions energy: -13.037
where: short stacking energy: -8.029
Base-Backbone interact. energy: -0.225
local terms energy: -27.063443
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: 1.244
flat angles P-C4'-P energy: -3.960
tors. eta vs tors. theta energy: 5.497
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: 4, replica: 3
=====================================
Write number: 98
Temperature: 2.400000
Total energy: -33.914064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.914064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.914064 (E_RNA)
where:
Base-Base interactions energy: -11.969
where: short stacking energy: -9.963
Base-Backbone interact. energy: -0.350
local terms energy: -21.595195
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -1.343
flat angles P-C4'-P energy: -3.428
tors. eta vs tors. theta energy: 6.506
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: 98
Temperature: 2.416667
Total energy: -35.658105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.658105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.658105 (E_RNA)
where:
Base-Base interactions energy: -10.473
where: short stacking energy: -8.416
Base-Backbone interact. energy: 3.053
local terms energy: -28.237435
where:
bonds (distance) C4'-P energy: -6.220
bonds (distance) P-C4' energy: -8.097
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: 5.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 98
Temperature: 2.433333
Total energy: -34.027929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.027929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.027929 (E_RNA)
where:
Base-Base interactions energy: -4.236
where: short stacking energy: -2.883
Base-Backbone interact. energy: -0.370
local terms energy: -29.421350
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -0.519
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: 11.011
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: 9
=====================================
Write number: 98
Temperature: 2.450000
Total energy: -41.573112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.573112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.573112 (E_RNA)
where:
Base-Base interactions energy: -8.463
where: short stacking energy: -6.797
Base-Backbone interact. energy: -0.423
local terms energy: -32.686570
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -0.220
tors. eta vs tors. theta energy: 6.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 98
Temperature: 2.466667
Total energy: -38.265010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.265010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.265010 (E_RNA)
where:
Base-Base interactions energy: -4.277
where: short stacking energy: -6.057
Base-Backbone interact. energy: -0.116
local terms energy: -33.871839
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -6.250
flat angles P-C4'-P energy: -6.021
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: 5
=====================================
Write number: 98
Temperature: 2.483333
Total energy: -35.108958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.108958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.108958 (E_RNA)
where:
Base-Base interactions energy: -1.796
where: short stacking energy: -4.318
Base-Backbone interact. energy: 0.898
local terms energy: -34.211109
where:
bonds (distance) C4'-P energy: -8.689
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: 10.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 98
Temperature: 2.500000
Total energy: -35.269679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.269679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.269679 (E_RNA)
where:
Base-Base interactions energy: -10.456
where: short stacking energy: -8.828
Base-Backbone interact. energy: -0.032
local terms energy: -24.782322
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -8.607
flat angles P-C4'-P energy: 3.501
tors. eta vs tors. theta energy: 2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 99
Temperature: 2.350000
Total energy: -43.553887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.553887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.553887 (E_RNA)
where:
Base-Base interactions energy: -10.259
where: short stacking energy: -9.682
Base-Backbone interact. energy: -0.089
local terms energy: -33.205907
where:
bonds (distance) C4'-P energy: -8.092
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -5.444
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 99
Temperature: 2.366667
Total energy: -36.920337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.920337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.920337 (E_RNA)
where:
Base-Base interactions energy: -12.357
where: short stacking energy: -11.932
Base-Backbone interact. energy: -0.521
local terms energy: -24.043142
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -11.241
flat angles C4'-P-C4' energy: -7.471
flat angles P-C4'-P energy: 1.485
tors. eta vs tors. theta energy: 3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 2.383333
Total energy: -36.210982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.210982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.210982 (E_RNA)
where:
Base-Base interactions energy: -4.277
where: short stacking energy: -3.825
Base-Backbone interact. energy: -0.488
local terms energy: -31.445900
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -9.263
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -5.997
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: 4, replica: 1
=====================================
Write number: 99
Temperature: 2.400000
Total energy: -33.104922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.104922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.104922 (E_RNA)
where:
Base-Base interactions energy: -2.668
where: short stacking energy: -2.099
Base-Backbone interact. energy: -0.375
local terms energy: -30.061676
where:
bonds (distance) C4'-P energy: -9.749
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: 10.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 99
Temperature: 2.416667
Total energy: -33.842174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.842174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.842174 (E_RNA)
where:
Base-Base interactions energy: -3.841
where: short stacking energy: -3.824
Base-Backbone interact. energy: 3.460
local terms energy: -33.461107
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -7.189
flat angles P-C4'-P energy: -5.310
tors. eta vs tors. theta energy: 6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 99
Temperature: 2.433333
Total energy: -42.057878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.057878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.057878 (E_RNA)
where:
Base-Base interactions energy: -10.618
where: short stacking energy: -10.618
Base-Backbone interact. energy: -0.241
local terms energy: -31.199038
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -11.677
flat angles C4'-P-C4' energy: -7.053
flat angles P-C4'-P energy: -0.086
tors. eta vs tors. theta energy: 0.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 2.450000
Total energy: -36.542518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.542518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.542518 (E_RNA)
where:
Base-Base interactions energy: -8.343
where: short stacking energy: -6.670
Base-Backbone interact. energy: 3.751
local terms energy: -31.949759
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -2.622
tors. eta vs tors. theta energy: 9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 99
Temperature: 2.466667
Total energy: -40.124970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.124970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.124970 (E_RNA)
where:
Base-Base interactions energy: -5.426
where: short stacking energy: -3.086
Base-Backbone interact. energy: -0.335
local terms energy: -34.363854
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -4.199
tors. eta vs tors. theta energy: 8.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 2.483333
Total energy: -31.123434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.123434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.123434 (E_RNA)
where:
Base-Base interactions energy: -0.411
where: short stacking energy: 0.000
Base-Backbone interact. energy: 0.622
local terms energy: -31.334514
where:
bonds (distance) C4'-P energy: -10.809
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -10.143
flat angles P-C4'-P energy: 1.060
tors. eta vs tors. theta energy: 7.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 99
Temperature: 2.500000
Total energy: -41.050035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.050035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.050035 (E_RNA)
where:
Base-Base interactions energy: -11.244
where: short stacking energy: -10.300
Base-Backbone interact. energy: 1.405
local terms energy: -31.211225
where:
bonds (distance) C4'-P energy: -7.553
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -1.997
tors. eta vs tors. theta energy: 3.900
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: 7
=====================================
Write number: 100
Temperature: 2.350000
Total energy: -35.869312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.869312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.869312 (E_RNA)
where:
Base-Base interactions energy: -10.369
where: short stacking energy: -10.136
Base-Backbone interact. energy: -0.256
local terms energy: -25.244177
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -9.172
flat angles C4'-P-C4' energy: -8.955
flat angles P-C4'-P energy: -4.101
tors. eta vs tors. theta energy: 8.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 100
Temperature: 2.366667
Total energy: -39.223310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.223310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.223310 (E_RNA)
where:
Base-Base interactions energy: -4.187
where: short stacking energy: -3.745
Base-Backbone interact. energy: -0.194
local terms energy: -34.842476
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -6.584
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: 3, replica: 1
=====================================
Write number: 100
Temperature: 2.383333
Total energy: -45.747929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.747929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.747929 (E_RNA)
where:
Base-Base interactions energy: -11.290
where: short stacking energy: -10.178
Base-Backbone interact. energy: -0.303
local terms energy: -34.154256
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -8.626
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: 3.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 100
Temperature: 2.400000
Total energy: -46.527623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.527623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.527623 (E_RNA)
where:
Base-Base interactions energy: -9.525
where: short stacking energy: -7.434
Base-Backbone interact. energy: -0.105
local terms energy: -36.898237
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: 6.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 100
Temperature: 2.416667
Total energy: -34.341333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.341333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.341333 (E_RNA)
where:
Base-Base interactions energy: -4.914
where: short stacking energy: -4.683
Base-Backbone interact. energy: -0.438
local terms energy: -28.990012
where:
bonds (distance) C4'-P energy: -3.976
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -4.781
tors. eta vs tors. theta energy: 8.173
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: 3
=====================================
Write number: 100
Temperature: 2.433333
Total energy: -36.024767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.024767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.024767 (E_RNA)
where:
Base-Base interactions energy: -1.476
where: short stacking energy: -0.267
Base-Backbone interact. energy: -0.298
local terms energy: -34.250241
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -10.354
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: 9.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 100
Temperature: 2.450000
Total energy: -39.080236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.080236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.080236 (E_RNA)
where:
Base-Base interactions energy: -7.310
where: short stacking energy: -7.387
Base-Backbone interact. energy: -0.162
local terms energy: -31.608216
where:
bonds (distance) C4'-P energy: -8.059
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -4.806
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: 4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 100
Temperature: 2.466667
Total energy: -43.104801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.104801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.104801 (E_RNA)
where:
Base-Base interactions energy: -6.841
where: short stacking energy: -5.801
Base-Backbone interact. energy: 0.024
local terms energy: -36.288235
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -5.455
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: 9, replica: 2
=====================================
Write number: 100
Temperature: 2.483333
Total energy: -36.978793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.978793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.978793 (E_RNA)
where:
Base-Base interactions energy: -6.472
where: short stacking energy: -6.106
Base-Backbone interact. energy: -0.064
local terms energy: -30.442462
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -10.692
flat angles C4'-P-C4' energy: -6.605
flat angles P-C4'-P energy: -3.100
tors. eta vs tors. theta energy: 2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 2.500000
Total energy: -37.443828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.443828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.443828 (E_RNA)
where:
Base-Base interactions energy: -3.710
where: short stacking energy: -2.637
Base-Backbone interact. energy: -0.411
local terms energy: -33.322866
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -4.880
flat angles P-C4'-P energy: -1.943
tors. eta vs tors. theta energy: 3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 101
Temperature: 2.350000
Total energy: -38.516695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.516695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.516695 (E_RNA)
where:
Base-Base interactions energy: -3.046
where: short stacking energy: -2.298
Base-Backbone interact. energy: 1.288
local terms energy: -36.759024
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: 9.357
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: 1
=====================================
Write number: 101
Temperature: 2.366667
Total energy: -41.657877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.657877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.657877 (E_RNA)
where:
Base-Base interactions energy: -22.925
where: short stacking energy: -21.663
Base-Backbone interact. energy: 0.679
local terms energy: -19.411633
where:
bonds (distance) C4'-P energy: -8.477
bonds (distance) P-C4' energy: -0.205
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -1.711
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: 3, replica: 6
=====================================
Write number: 101
Temperature: 2.383333
Total energy: -45.574766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.574766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.574766 (E_RNA)
where:
Base-Base interactions energy: -5.460
where: short stacking energy: -5.660
Base-Backbone interact. energy: 0.793
local terms energy: -40.907892
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -0.553
tors. eta vs tors. theta energy: 8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 101
Temperature: 2.400000
Total energy: -40.504993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.504993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.504993 (E_RNA)
where:
Base-Base interactions energy: -5.193
where: short stacking energy: -3.671
Base-Backbone interact. energy: 1.812
local terms energy: -37.124735
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: 1.987
tors. eta vs tors. theta energy: 7.020
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: 4
=====================================
Write number: 101
Temperature: 2.416667
Total energy: -35.862283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.862283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.862283 (E_RNA)
where:
Base-Base interactions energy: -5.978
where: short stacking energy: -5.978
Base-Backbone interact. energy: 4.172
local terms energy: -34.056316
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -10.306
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -2.754
tors. eta vs tors. theta energy: 0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 101
Temperature: 2.433333
Total energy: -33.584945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.584945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.584945 (E_RNA)
where:
Base-Base interactions energy: -5.549
where: short stacking energy: -3.818
Base-Backbone interact. energy: -0.367
local terms energy: -27.668478
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -1.062
tors. eta vs tors. theta energy: 8.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 101
Temperature: 2.450000
Total energy: -37.965896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.965896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.965896 (E_RNA)
where:
Base-Base interactions energy: -8.555
where: short stacking energy: -6.124
Base-Backbone interact. energy: -0.011
local terms energy: -29.400141
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -7.244
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: 10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 101
Temperature: 2.466667
Total energy: -40.483214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.483214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.483214 (E_RNA)
where:
Base-Base interactions energy: -3.593
where: short stacking energy: -3.582
Base-Backbone interact. energy: -0.835
local terms energy: -36.055247
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -5.403
flat angles P-C4'-P energy: -4.676
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: 10
=====================================
Write number: 101
Temperature: 2.483333
Total energy: -36.600450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.600450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.600450 (E_RNA)
where:
Base-Base interactions energy: -1.625
where: short stacking energy: -1.625
Base-Backbone interact. energy: -0.531
local terms energy: -34.444072
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -7.060
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: 8.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 2.500000
Total energy: -34.208709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.208709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.208709 (E_RNA)
where:
Base-Base interactions energy: -7.491
where: short stacking energy: -7.491
Base-Backbone interact. energy: -0.266
local terms energy: -26.451548
where:
bonds (distance) C4'-P energy: -5.961
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -6.439
flat angles P-C4'-P energy: -4.741
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: 1, replica: 1
=====================================
Write number: 102
Temperature: 2.350000
Total energy: -42.621805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.621805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.621805 (E_RNA)
where:
Base-Base interactions energy: -5.616
where: short stacking energy: -4.095
Base-Backbone interact. energy: -1.555
local terms energy: -35.451102
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -5.588
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: 2, replica: 7
=====================================
Write number: 102
Temperature: 2.366667
Total energy: -44.409586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.409586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.409586 (E_RNA)
where:
Base-Base interactions energy: -11.298
where: short stacking energy: -7.598
Base-Backbone interact. energy: 0.504
local terms energy: -33.615236
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -3.253
flat angles P-C4'-P energy: -3.623
tors. eta vs tors. theta energy: 3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 102
Temperature: 2.383333
Total energy: -43.667397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.667397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.667397 (E_RNA)
where:
Base-Base interactions energy: -4.445
where: short stacking energy: -3.095
Base-Backbone interact. energy: -0.217
local terms energy: -39.005701
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: 7.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 102
Temperature: 2.400000
Total energy: -37.510393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.510393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.510393 (E_RNA)
where:
Base-Base interactions energy: -12.131
where: short stacking energy: -10.433
Base-Backbone interact. energy: -0.604
local terms energy: -24.776098
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -5.286
flat angles P-C4'-P energy: -3.089
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: 5, replica: 5
=====================================
Write number: 102
Temperature: 2.416667
Total energy: -45.980428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.980428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.980428 (E_RNA)
where:
Base-Base interactions energy: -17.023
where: short stacking energy: -16.042
Base-Backbone interact. energy: -0.092
local terms energy: -28.866050
where:
bonds (distance) C4'-P energy: -6.711
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -1.756
flat angles P-C4'-P energy: -3.629
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: 6, replica: 4
=====================================
Write number: 102
Temperature: 2.433333
Total energy: -37.364635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.364635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.364635 (E_RNA)
where:
Base-Base interactions energy: -10.530
where: short stacking energy: -10.515
Base-Backbone interact. energy: -0.116
local terms energy: -26.718834
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -0.515
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: 7.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 102
Temperature: 2.450000
Total energy: -40.450921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.450921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.450921 (E_RNA)
where:
Base-Base interactions energy: -9.847
where: short stacking energy: -8.397
Base-Backbone interact. energy: 0.924
local terms energy: -31.527599
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -9.094
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: 10.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 102
Temperature: 2.466667
Total energy: -39.419333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.419333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.419333 (E_RNA)
where:
Base-Base interactions energy: -6.248
where: short stacking energy: -5.162
Base-Backbone interact. energy: -0.012
local terms energy: -33.159530
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -8.672
flat angles C4'-P-C4' energy: -5.494
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: 0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 102
Temperature: 2.483333
Total energy: -35.795456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.795456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.795456 (E_RNA)
where:
Base-Base interactions energy: -5.294
where: short stacking energy: -4.647
Base-Backbone interact. energy: 0.455
local terms energy: -30.956636
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -6.738
flat angles P-C4'-P energy: -4.913
tors. eta vs tors. theta energy: 3.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 102
Temperature: 2.500000
Total energy: -35.324885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.324885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.324885 (E_RNA)
where:
Base-Base interactions energy: -12.000
where: short stacking energy: -10.284
Base-Backbone interact. energy: 2.972
local terms energy: -26.296472
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -3.298
flat angles P-C4'-P energy: 1.382
tors. eta vs tors. theta energy: 5.809
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: 1
=====================================
Write number: 103
Temperature: 2.350000
Total energy: -36.829900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.829900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.829900 (E_RNA)
where:
Base-Base interactions energy: -2.371
where: short stacking energy: -2.371
Base-Backbone interact. energy: -0.574
local terms energy: -33.884489
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -3.555
flat angles C4'-P-C4' energy: -8.444
flat angles P-C4'-P energy: -8.651
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: 2, replica: 9
=====================================
Write number: 103
Temperature: 2.366667
Total energy: -34.709061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.709061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.709061 (E_RNA)
where:
Base-Base interactions energy: -5.492
where: short stacking energy: -1.824
Base-Backbone interact. energy: -0.424
local terms energy: -28.792527
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -7.210
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -3.283
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: 3, replica: 7
=====================================
Write number: 103
Temperature: 2.383333
Total energy: -40.105003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.105003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.105003 (E_RNA)
where:
Base-Base interactions energy: -8.738
where: short stacking energy: -7.272
Base-Backbone interact. energy: 1.000
local terms energy: -32.366941
where:
bonds (distance) C4'-P energy: -8.775
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -8.265
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: 8.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 103
Temperature: 2.400000
Total energy: -46.095598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.095598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.095598 (E_RNA)
where:
Base-Base interactions energy: -8.029
where: short stacking energy: -6.660
Base-Backbone interact. energy: -0.678
local terms energy: -37.388738
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -10.922
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -8.139
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: 5, replica: 6
=====================================
Write number: 103
Temperature: 2.416667
Total energy: -36.049495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.049495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.049495 (E_RNA)
where:
Base-Base interactions energy: -9.248
where: short stacking energy: -8.072
Base-Backbone interact. energy: -1.139
local terms energy: -25.662739
where:
bonds (distance) C4'-P energy: -9.500
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -4.722
flat angles P-C4'-P energy: -3.475
tors. eta vs tors. theta energy: 7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 103
Temperature: 2.433333
Total energy: -37.881317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.881317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.881317 (E_RNA)
where:
Base-Base interactions energy: -10.643
where: short stacking energy: -10.643
Base-Backbone interact. energy: -0.121
local terms energy: -27.117374
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -5.780
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: 8.035
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: 7, replica: 4
=====================================
Write number: 103
Temperature: 2.450000
Total energy: -41.002362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.002362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.002362 (E_RNA)
where:
Base-Base interactions energy: -3.304
where: short stacking energy: -1.795
Base-Backbone interact. energy: -0.373
local terms energy: -37.325220
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: 0.574
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: 6.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 103
Temperature: 2.466667
Total energy: -34.202763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.202763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.202763 (E_RNA)
where:
Base-Base interactions energy: -5.429
where: short stacking energy: -1.118
Base-Backbone interact. energy: 3.363
local terms energy: -32.137146
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -1.898
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: 9, replica: 8
=====================================
Write number: 103
Temperature: 2.483333
Total energy: -50.921434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.921434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.921434 (E_RNA)
where:
Base-Base interactions energy: -13.648
where: short stacking energy: -12.627
Base-Backbone interact. energy: -0.271
local terms energy: -37.002851
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: 11.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 103
Temperature: 2.500000
Total energy: -36.833910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.833910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.833910 (E_RNA)
where:
Base-Base interactions energy: -1.627
where: short stacking energy: -0.201
Base-Backbone interact. energy: 1.250
local terms energy: -36.456763
where:
bonds (distance) C4'-P energy: -8.290
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: 5.528
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: 9
=====================================
Write number: 104
Temperature: 2.350000
Total energy: -37.582985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.582985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.582985 (E_RNA)
where:
Base-Base interactions energy: -3.837
where: short stacking energy: -2.786
Base-Backbone interact. energy: 2.176
local terms energy: -35.921995
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -5.568
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: 5.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 2.366667
Total energy: -42.388321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.388321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.388321 (E_RNA)
where:
Base-Base interactions energy: -8.237
where: short stacking energy: -8.131
Base-Backbone interact. energy: -1.123
local terms energy: -33.028976
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: 6.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 104
Temperature: 2.383333
Total energy: -35.387580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.387580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.387580 (E_RNA)
where:
Base-Base interactions energy: -0.812
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.369
local terms energy: -34.207262
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -0.656
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: 4, replica: 7
=====================================
Write number: 104
Temperature: 2.400000
Total energy: -43.578385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.578385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.578385 (E_RNA)
where:
Base-Base interactions energy: -11.696
where: short stacking energy: -8.927
Base-Backbone interact. energy: -0.196
local terms energy: -31.686187
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -2.551
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: 8.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 2.416667
Total energy: -34.890271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.890271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.890271 (E_RNA)
where:
Base-Base interactions energy: -2.842
where: short stacking energy: -2.508
Base-Backbone interact. energy: -0.184
local terms energy: -31.864555
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -7.921
flat angles P-C4'-P energy: -3.971
tors. eta vs tors. theta energy: 8.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 2.433333
Total energy: -34.257077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.257077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.257077 (E_RNA)
where:
Base-Base interactions energy: -2.762
where: short stacking energy: -0.560
Base-Backbone interact. energy: 0.668
local terms energy: -32.163345
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -8.142
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: 10.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 2.450000
Total energy: -35.148981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.148981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.148981 (E_RNA)
where:
Base-Base interactions energy: -4.095
where: short stacking energy: -4.285
Base-Backbone interact. energy: 0.588
local terms energy: -31.642158
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -3.853
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: 8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 104
Temperature: 2.466667
Total energy: -35.878630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.878630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.878630 (E_RNA)
where:
Base-Base interactions energy: -5.550
where: short stacking energy: -4.503
Base-Backbone interact. energy: -0.205
local terms energy: -30.124102
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -9.545
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -1.267
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: 9, replica: 10
=====================================
Write number: 104
Temperature: 2.483333
Total energy: -39.863797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.863797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.863797 (E_RNA)
where:
Base-Base interactions energy: -9.120
where: short stacking energy: -5.426
Base-Backbone interact. energy: -0.550
local terms energy: -30.194309
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -8.104
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -3.634
tors. eta vs tors. theta energy: 8.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 104
Temperature: 2.500000
Total energy: -38.479291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.479291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.479291 (E_RNA)
where:
Base-Base interactions energy: -9.145
where: short stacking energy: -8.501
Base-Backbone interact. energy: -0.291
local terms energy: -29.043009
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -8.422
flat angles C4'-P-C4' energy: -5.038
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: 10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 105
Temperature: 2.350000
Total energy: -41.882676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.882676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.882676 (E_RNA)
where:
Base-Base interactions energy: -6.334
where: short stacking energy: -6.094
Base-Backbone interact. energy: 0.923
local terms energy: -36.471155
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -9.202
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: 6.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 105
Temperature: 2.366667
Total energy: -36.884301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.884301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.884301 (E_RNA)
where:
Base-Base interactions energy: -7.371
where: short stacking energy: -8.324
Base-Backbone interact. energy: 2.419
local terms energy: -31.932392
where:
bonds (distance) C4'-P energy: -8.928
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -7.243
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: 9.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 105
Temperature: 2.383333
Total energy: -37.936587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.936587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.936587 (E_RNA)
where:
Base-Base interactions energy: -3.481
where: short stacking energy: -1.048
Base-Backbone interact. energy: -0.380
local terms energy: -34.074914
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -3.710
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: 3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 105
Temperature: 2.400000
Total energy: -40.028274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.028274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.028274 (E_RNA)
where:
Base-Base interactions energy: -10.203
where: short stacking energy: -10.189
Base-Backbone interact. energy: -0.317
local terms energy: -29.508247
where:
bonds (distance) C4'-P energy: -9.259
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -7.601
flat angles P-C4'-P energy: -1.821
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: 7
=====================================
Write number: 105
Temperature: 2.416667
Total energy: -35.511775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.511775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.511775 (E_RNA)
where:
Base-Base interactions energy: -6.553
where: short stacking energy: -5.706
Base-Backbone interact. energy: -0.154
local terms energy: -28.804642
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -9.076
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -3.428
tors. eta vs tors. theta energy: 3.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 2.433333
Total energy: -39.428369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.428369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.428369 (E_RNA)
where:
Base-Base interactions energy: -6.536
where: short stacking energy: -7.693
Base-Backbone interact. energy: 0.154
local terms energy: -33.045925
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -3.168
tors. eta vs tors. theta energy: 7.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 2.450000
Total energy: -32.012487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.012487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.012487 (E_RNA)
where:
Base-Base interactions energy: -7.255
where: short stacking energy: 0.049
Base-Backbone interact. energy: 0.570
local terms energy: -25.327414
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -8.908
flat angles C4'-P-C4' energy: -7.485
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: 10.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 105
Temperature: 2.466667
Total energy: -34.415657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.415657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.415657 (E_RNA)
where:
Base-Base interactions energy: -11.873
where: short stacking energy: -6.960
Base-Backbone interact. energy: -0.402
local terms energy: -22.140938
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -7.027
flat angles C4'-P-C4' energy: -7.426
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: 11.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 105
Temperature: 2.483333
Total energy: -32.598840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.598840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.598840 (E_RNA)
where:
Base-Base interactions energy: -5.482
where: short stacking energy: -4.582
Base-Backbone interact. energy: 0.094
local terms energy: -27.210819
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -9.717
flat angles C4'-P-C4' energy: -2.772
flat angles P-C4'-P energy: -4.214
tors. eta vs tors. theta energy: 6.622
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: 8
=====================================
Write number: 105
Temperature: 2.500000
Total energy: -34.434352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.434352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.434352 (E_RNA)
where:
Base-Base interactions energy: -0.770
where: short stacking energy: -0.468
Base-Backbone interact. energy: -0.287
local terms energy: -33.377046
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -5.805
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: 8.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 106
Temperature: 2.350000
Total energy: -40.174387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.174387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.174387 (E_RNA)
where:
Base-Base interactions energy: 1.598
where: short stacking energy: -3.527
Base-Backbone interact. energy: -1.678
local terms energy: -40.095151
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -7.108
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: 9
=====================================
Write number: 106
Temperature: 2.366667
Total energy: -42.730894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.730894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.730894 (E_RNA)
where:
Base-Base interactions energy: -4.643
where: short stacking energy: -4.354
Base-Backbone interact. energy: -0.954
local terms energy: -37.133230
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -3.077
tors. eta vs tors. theta energy: 7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 106
Temperature: 2.383333
Total energy: -39.150010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.150010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.150010 (E_RNA)
where:
Base-Base interactions energy: -16.185
where: short stacking energy: -10.737
Base-Backbone interact. energy: -0.165
local terms energy: -22.799763
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -0.564
flat angles P-C4'-P energy: -2.356
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: 4, replica: 1
=====================================
Write number: 106
Temperature: 2.400000
Total energy: -43.433526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.433526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.433526 (E_RNA)
where:
Base-Base interactions energy: -6.869
where: short stacking energy: -7.569
Base-Backbone interact. energy: -0.241
local terms energy: -36.323801
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -8.813
flat angles C4'-P-C4' energy: -8.717
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: 1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 106
Temperature: 2.416667
Total energy: -35.937341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.937341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.937341 (E_RNA)
where:
Base-Base interactions energy: -6.557
where: short stacking energy: -5.709
Base-Backbone interact. energy: 0.714
local terms energy: -30.094159
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -1.865
flat angles P-C4'-P energy: -8.735
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: 7
=====================================
Write number: 106
Temperature: 2.433333
Total energy: -33.730305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.730305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.730305 (E_RNA)
where:
Base-Base interactions energy: -7.100
where: short stacking energy: -4.482
Base-Backbone interact. energy: -0.127
local terms energy: -26.503269
where:
bonds (distance) C4'-P energy: -6.717
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -5.997
flat angles P-C4'-P energy: -5.793
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: 7, replica: 10
=====================================
Write number: 106
Temperature: 2.450000
Total energy: -32.635781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.635781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.635781 (E_RNA)
where:
Base-Base interactions energy: -4.307
where: short stacking energy: -4.307
Base-Backbone interact. energy: -0.244
local terms energy: -28.085628
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -6.464
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: 7.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 106
Temperature: 2.466667
Total energy: -35.229828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.229828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.229828 (E_RNA)
where:
Base-Base interactions energy: -3.978
where: short stacking energy: -3.136
Base-Backbone interact. energy: -0.122
local terms energy: -31.129779
where:
bonds (distance) C4'-P energy: -7.736
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: 11.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 2.483333
Total energy: -35.168226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.168226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.168226 (E_RNA)
where:
Base-Base interactions energy: -9.612
where: short stacking energy: -9.612
Base-Backbone interact. energy: -0.213
local terms energy: -25.342952
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -5.992
flat angles P-C4'-P energy: 0.750
tors. eta vs tors. theta energy: 6.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 106
Temperature: 2.500000
Total energy: -33.159278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.159278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.159278 (E_RNA)
where:
Base-Base interactions energy: -6.380
where: short stacking energy: -6.380
Base-Backbone interact. energy: -0.310
local terms energy: -26.469253
where:
bonds (distance) C4'-P energy: -7.152
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: 0.130
tors. eta vs tors. theta energy: 5.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 107
Temperature: 2.350000
Total energy: -38.601602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.601602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.601602 (E_RNA)
where:
Base-Base interactions energy: -9.060
where: short stacking energy: -8.504
Base-Backbone interact. energy: -0.919
local terms energy: -28.623454
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -3.561
flat angles C4'-P-C4' energy: -5.984
flat angles P-C4'-P energy: -7.003
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: 2, replica: 2
=====================================
Write number: 107
Temperature: 2.366667
Total energy: -37.645438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.645438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.645438 (E_RNA)
where:
Base-Base interactions energy: -7.774
where: short stacking energy: -2.383
Base-Backbone interact. energy: 1.518
local terms energy: -31.390178
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -9.863
flat angles C4'-P-C4' energy: -6.316
flat angles P-C4'-P energy: -5.107
tors. eta vs tors. theta energy: 6.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 107
Temperature: 2.383333
Total energy: -40.231349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.231349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.231349 (E_RNA)
where:
Base-Base interactions energy: -6.123
where: short stacking energy: -4.030
Base-Backbone interact. energy: 1.295
local terms energy: -35.404009
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -11.122
flat angles C4'-P-C4' energy: -9.338
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: 10.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 107
Temperature: 2.400000
Total energy: -48.983500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.983500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.983500 (E_RNA)
where:
Base-Base interactions energy: -14.754
where: short stacking energy: -11.770
Base-Backbone interact. energy: -0.152
local terms energy: -34.077436
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -6.268
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -2.169
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: 5, replica: 1
=====================================
Write number: 107
Temperature: 2.416667
Total energy: -38.847230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.847230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.847230 (E_RNA)
where:
Base-Base interactions energy: -8.436
where: short stacking energy: -7.299
Base-Backbone interact. energy: -0.238
local terms energy: -30.173457
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -3.588
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: 5.226
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: 107
Temperature: 2.433333
Total energy: -35.015095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.015095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.015095 (E_RNA)
where:
Base-Base interactions energy: -13.010
where: short stacking energy: -11.431
Base-Backbone interact. energy: -0.307
local terms energy: -21.698422
where:
bonds (distance) C4'-P energy: -8.646
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: 0.049
tors. eta vs tors. theta energy: 8.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 107
Temperature: 2.450000
Total energy: -32.566004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.566004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.566004 (E_RNA)
where:
Base-Base interactions energy: -5.299
where: short stacking energy: -5.299
Base-Backbone interact. energy: 3.532
local terms energy: -30.799101
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -7.055
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: 9.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 2.466667
Total energy: -44.501967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.501967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.501967 (E_RNA)
where:
Base-Base interactions energy: -5.371
where: short stacking energy: -4.843
Base-Backbone interact. energy: 8.485
local terms energy: -47.616007
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -8.189
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: 9, replica: 6
=====================================
Write number: 107
Temperature: 2.483333
Total energy: -36.464538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.464538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.464538 (E_RNA)
where:
Base-Base interactions energy: -5.771
where: short stacking energy: -4.978
Base-Backbone interact. energy: -0.072
local terms energy: -30.621531
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -7.279
flat angles P-C4'-P energy: -1.977
tors. eta vs tors. theta energy: 10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 2.500000
Total energy: -36.012563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.012563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.012563 (E_RNA)
where:
Base-Base interactions energy: -13.443
where: short stacking energy: -13.407
Base-Backbone interact. energy: -0.324
local terms energy: -22.246062
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -9.475
flat angles C4'-P-C4' energy: -4.095
flat angles P-C4'-P energy: -3.829
tors. eta vs tors. theta energy: 5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 108
Temperature: 2.350000
Total energy: -36.891253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.891253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.891253 (E_RNA)
where:
Base-Base interactions energy: -4.136
where: short stacking energy: -4.136
Base-Backbone interact. energy: -0.438
local terms energy: -32.316963
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: 12.216
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: 108
Temperature: 2.366667
Total energy: -40.186238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.186238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.186238 (E_RNA)
where:
Base-Base interactions energy: -9.425
where: short stacking energy: -8.921
Base-Backbone interact. energy: -0.166
local terms energy: -30.595899
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -6.807
flat angles P-C4'-P energy: -3.930
tors. eta vs tors. theta energy: 6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 108
Temperature: 2.383333
Total energy: -40.917550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.917550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.917550 (E_RNA)
where:
Base-Base interactions energy: -2.584
where: short stacking energy: -1.504
Base-Backbone interact. energy: -0.152
local terms energy: -38.181815
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: 10.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 108
Temperature: 2.400000
Total energy: -42.186199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.186199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.186199 (E_RNA)
where:
Base-Base interactions energy: -12.545
where: short stacking energy: -6.939
Base-Backbone interact. energy: 0.701
local terms energy: -30.342386
where:
bonds (distance) C4'-P energy: -5.189
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: 1.297
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: 5, replica: 10
=====================================
Write number: 108
Temperature: 2.416667
Total energy: -40.993649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.993649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.993649 (E_RNA)
where:
Base-Base interactions energy: -6.268
where: short stacking energy: -4.911
Base-Backbone interact. energy: 0.796
local terms energy: -35.522098
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -6.792
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: 4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 2.433333
Total energy: -35.242394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.242394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.242394 (E_RNA)
where:
Base-Base interactions energy: -6.542
where: short stacking energy: -5.677
Base-Backbone interact. energy: 0.007
local terms energy: -28.706926
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -8.403
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: 9.245
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: 8
=====================================
Write number: 108
Temperature: 2.450000
Total energy: -37.688061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.688061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.688061 (E_RNA)
where:
Base-Base interactions energy: -8.256
where: short stacking energy: -8.256
Base-Backbone interact. energy: -0.251
local terms energy: -29.180119
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -11.794
flat angles C4'-P-C4' energy: -7.093
flat angles P-C4'-P energy: -2.430
tors. eta vs tors. theta energy: 8.980
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: 7
=====================================
Write number: 108
Temperature: 2.466667
Total energy: -35.399505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.399505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.399505 (E_RNA)
where:
Base-Base interactions energy: -9.572
where: short stacking energy: -8.417
Base-Backbone interact. energy: 2.805
local terms energy: -28.632810
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -6.271
flat angles P-C4'-P energy: 1.885
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: 9, replica: 4
=====================================
Write number: 108
Temperature: 2.483333
Total energy: -31.989260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.989260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.989260 (E_RNA)
where:
Base-Base interactions energy: -3.830
where: short stacking energy: -2.485
Base-Backbone interact. energy: 0.026
local terms energy: -28.185445
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -6.675
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: 9.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 2.500000
Total energy: -41.101063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.101063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.101063 (E_RNA)
where:
Base-Base interactions energy: -11.058
where: short stacking energy: -10.993
Base-Backbone interact. energy: -0.233
local terms energy: -29.810280
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -5.520
flat angles P-C4'-P energy: -6.662
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: 1, replica: 2
=====================================
Write number: 109
Temperature: 2.350000
Total energy: -43.627537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.627537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.627537 (E_RNA)
where:
Base-Base interactions energy: -11.399
where: short stacking energy: -10.548
Base-Backbone interact. energy: -0.185
local terms energy: -32.043503
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -8.681
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: 10.813
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: 109
Temperature: 2.366667
Total energy: -36.480972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.480972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.480972 (E_RNA)
where:
Base-Base interactions energy: -3.494
where: short stacking energy: -1.741
Base-Backbone interact. energy: 1.980
local terms energy: -34.966792
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -6.202
flat angles P-C4'-P energy: -2.479
tors. eta vs tors. theta energy: 3.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 2.383333
Total energy: -36.143972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.143972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.143972 (E_RNA)
where:
Base-Base interactions energy: -8.501
where: short stacking energy: -6.642
Base-Backbone interact. energy: -0.555
local terms energy: -27.088600
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: 0.638
tors. eta vs tors. theta energy: 12.769
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: 4, replica: 10
=====================================
Write number: 109
Temperature: 2.400000
Total energy: -37.602456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.602456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.602456 (E_RNA)
where:
Base-Base interactions energy: -11.668
where: short stacking energy: -11.471
Base-Backbone interact. energy: -0.358
local terms energy: -25.576037
where:
bonds (distance) C4'-P energy: -8.407
bonds (distance) P-C4' energy: -8.590
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -4.798
tors. eta vs tors. theta energy: 7.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 109
Temperature: 2.416667
Total energy: -33.973930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.973930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.973930 (E_RNA)
where:
Base-Base interactions energy: -6.382
where: short stacking energy: -6.382
Base-Backbone interact. energy: 11.462
local terms energy: -39.053652
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -9.890
flat angles C4'-P-C4' energy: -6.114
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: 4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 2.433333
Total energy: -43.846132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.846132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.846132 (E_RNA)
where:
Base-Base interactions energy: -6.692
where: short stacking energy: -4.360
Base-Backbone interact. energy: 0.821
local terms energy: -37.975511
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -9.950
flat angles P-C4'-P energy: 0.297
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: 7, replica: 1
=====================================
Write number: 109
Temperature: 2.450000
Total energy: -33.500201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.500201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.500201 (E_RNA)
where:
Base-Base interactions energy: -6.198
where: short stacking energy: -6.196
Base-Backbone interact. energy: 1.826
local terms energy: -29.127652
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -7.965
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -1.728
tors. eta vs tors. theta energy: 9.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 109
Temperature: 2.466667
Total energy: -36.258146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.258146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.258146 (E_RNA)
where:
Base-Base interactions energy: -2.206
where: short stacking energy: -4.112
Base-Backbone interact. energy: -1.280
local terms energy: -32.772225
where:
bonds (distance) C4'-P energy: -9.397
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -7.592
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: 5.579
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: 9, replica: 7
=====================================
Write number: 109
Temperature: 2.483333
Total energy: -36.333935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.333935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.333935 (E_RNA)
where:
Base-Base interactions energy: -14.720
where: short stacking energy: -12.849
Base-Backbone interact. energy: 2.293
local terms energy: -23.906904
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -8.295
flat angles C4'-P-C4' energy: -3.969
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: 8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 109
Temperature: 2.500000
Total energy: -30.617932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.617932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.617932 (E_RNA)
where:
Base-Base interactions energy: -4.357
where: short stacking energy: -4.357
Base-Backbone interact. energy: -0.622
local terms energy: -25.638301
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -3.959
flat angles C4'-P-C4' energy: -7.327
flat angles P-C4'-P energy: -8.541
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: 1, replica: 3
=====================================
Write number: 110
Temperature: 2.350000
Total energy: -35.682178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.682178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.682178 (E_RNA)
where:
Base-Base interactions energy: -6.960
where: short stacking energy: -6.806
Base-Backbone interact. energy: -0.344
local terms energy: -28.377594
where:
bonds (distance) C4'-P energy: -6.492
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: 0.059
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: 2, replica: 2
=====================================
Write number: 110
Temperature: 2.366667
Total energy: -41.076510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.076510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.076510 (E_RNA)
where:
Base-Base interactions energy: -1.579
where: short stacking energy: -0.326
Base-Backbone interact. energy: 0.517
local terms energy: -40.014872
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -5.264
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: 3.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 110
Temperature: 2.383333
Total energy: -34.497636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.497636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.497636 (E_RNA)
where:
Base-Base interactions energy: -5.583
where: short stacking energy: -5.583
Base-Backbone interact. energy: -0.956
local terms energy: -27.958024
where:
bonds (distance) C4'-P energy: -7.946
bonds (distance) P-C4' energy: -8.694
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: 8.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 2.400000
Total energy: -36.629609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.629609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.629609 (E_RNA)
where:
Base-Base interactions energy: -6.326
where: short stacking energy: -6.004
Base-Backbone interact. energy: 0.659
local terms energy: -30.962614
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: 0.608
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: 5, replica: 8
=====================================
Write number: 110
Temperature: 2.416667
Total energy: -36.591836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.591836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.591836 (E_RNA)
where:
Base-Base interactions energy: -3.311
where: short stacking energy: -3.311
Base-Backbone interact. energy: -0.266
local terms energy: -33.014878
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -6.313
flat angles P-C4'-P energy: -8.887
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: 9
=====================================
Write number: 110
Temperature: 2.433333
Total energy: -34.793107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.793107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.793107 (E_RNA)
where:
Base-Base interactions energy: -4.076
where: short stacking energy: -3.966
Base-Backbone interact. energy: -0.300
local terms energy: -30.417512
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -1.768
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: 9.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 110
Temperature: 2.450000
Total energy: -36.573946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.573946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.573946 (E_RNA)
where:
Base-Base interactions energy: -10.379
where: short stacking energy: -7.943
Base-Backbone interact. energy: -0.305
local terms energy: -25.890297
where:
bonds (distance) C4'-P energy: -8.120
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -2.014
tors. eta vs tors. theta energy: 9.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 110
Temperature: 2.466667
Total energy: -32.014135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.014135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.014135 (E_RNA)
where:
Base-Base interactions energy: -4.287
where: short stacking energy: -4.744
Base-Backbone interact. energy: 1.467
local terms energy: -29.193409
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -2.324
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: 4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 2.483333
Total energy: -35.624697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.624697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.624697 (E_RNA)
where:
Base-Base interactions energy: -6.904
where: short stacking energy: -3.282
Base-Backbone interact. energy: -0.773
local terms energy: -27.948225
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -2.536
tors. eta vs tors. theta energy: 10.967
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: 7
=====================================
Write number: 110
Temperature: 2.500000
Total energy: -34.967651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.967651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.967651 (E_RNA)
where:
Base-Base interactions energy: -10.187
where: short stacking energy: -10.187
Base-Backbone interact. energy: 0.068
local terms energy: -24.848437
where:
bonds (distance) C4'-P energy: -4.672
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -2.544
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: 1, replica: 3
=====================================
Write number: 111
Temperature: 2.350000
Total energy: -37.896467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.896467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.896467 (E_RNA)
where:
Base-Base interactions energy: -2.422
where: short stacking energy: -0.856
Base-Backbone interact. energy: -0.141
local terms energy: -35.333486
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -6.851
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: 8.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 111
Temperature: 2.366667
Total energy: -39.524001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.524001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.524001 (E_RNA)
where:
Base-Base interactions energy: -2.961
where: short stacking energy: -0.944
Base-Backbone interact. energy: -0.453
local terms energy: -36.109139
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -6.902
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: 8.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 111
Temperature: 2.383333
Total energy: -41.203356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.203356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.203356 (E_RNA)
where:
Base-Base interactions energy: -9.561
where: short stacking energy: -6.288
Base-Backbone interact. energy: -0.269
local terms energy: -31.373618
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -5.100
tors. eta vs tors. theta energy: 12.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 111
Temperature: 2.400000
Total energy: -36.067248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.067248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.067248 (E_RNA)
where:
Base-Base interactions energy: -3.570
where: short stacking energy: -1.080
Base-Backbone interact. energy: -0.263
local terms energy: -32.233764
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -2.358
tors. eta vs tors. theta energy: 9.828
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: 5
=====================================
Write number: 111
Temperature: 2.416667
Total energy: -41.307116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.307116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.307116 (E_RNA)
where:
Base-Base interactions energy: -7.200
where: short stacking energy: -7.200
Base-Backbone interact. energy: -0.140
local terms energy: -33.968077
where:
bonds (distance) C4'-P energy: -8.208
bonds (distance) P-C4' energy: -8.184
flat angles C4'-P-C4' energy: -6.481
flat angles P-C4'-P energy: -11.070
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: 6, replica: 4
=====================================
Write number: 111
Temperature: 2.433333
Total energy: -37.682430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.682430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.682430 (E_RNA)
where:
Base-Base interactions energy: -4.998
where: short stacking energy: -4.998
Base-Backbone interact. energy: -0.459
local terms energy: -32.224773
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -0.707
tors. eta vs tors. theta energy: 7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 111
Temperature: 2.450000
Total energy: -36.197654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.197654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.197654 (E_RNA)
where:
Base-Base interactions energy: -5.596
where: short stacking energy: -4.257
Base-Backbone interact. energy: -0.537
local terms energy: -30.064406
where:
bonds (distance) C4'-P energy: -3.754
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -0.405
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: 8, replica: 6
=====================================
Write number: 111
Temperature: 2.466667
Total energy: -33.737198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.737198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.737198 (E_RNA)
where:
Base-Base interactions energy: -6.871
where: short stacking energy: -6.102
Base-Backbone interact. energy: -0.320
local terms energy: -26.545590
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -7.927
flat angles P-C4'-P energy: -4.434
tors. eta vs tors. theta energy: 8.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 111
Temperature: 2.483333
Total energy: -37.717619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.717619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.717619 (E_RNA)
where:
Base-Base interactions energy: -7.835
where: short stacking energy: -7.835
Base-Backbone interact. energy: -0.477
local terms energy: -29.405267
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -6.370
flat angles C4'-P-C4' energy: -6.711
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: 2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 111
Temperature: 2.500000
Total energy: -36.531721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.531721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.531721 (E_RNA)
where:
Base-Base interactions energy: -10.349
where: short stacking energy: -10.189
Base-Backbone interact. energy: -0.339
local terms energy: -25.844051
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -4.150
flat angles P-C4'-P energy: -2.136
tors. eta vs tors. theta energy: 10.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 112
Temperature: 2.350000
Total energy: -42.208046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.208046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.208046 (E_RNA)
where:
Base-Base interactions energy: -0.591
where: short stacking energy: -2.638
Base-Backbone interact. energy: -0.480
local terms energy: -41.136919
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: 7.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 112
Temperature: 2.366667
Total energy: -38.535963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.535963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.535963 (E_RNA)
where:
Base-Base interactions energy: -4.202
where: short stacking energy: -4.202
Base-Backbone interact. energy: -0.288
local terms energy: -34.045940
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -2.554
tors. eta vs tors. theta energy: 4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 112
Temperature: 2.383333
Total energy: -43.667678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.667678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.667678 (E_RNA)
where:
Base-Base interactions energy: -10.511
where: short stacking energy: -9.608
Base-Backbone interact. energy: 0.866
local terms energy: -34.023188
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -9.235
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: 4.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 2.400000
Total energy: -44.613903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.613903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.613903 (E_RNA)
where:
Base-Base interactions energy: -10.117
where: short stacking energy: -2.800
Base-Backbone interact. energy: -0.155
local terms energy: -34.342162
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -8.339
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -1.817
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: 5, replica: 4
=====================================
Write number: 112
Temperature: 2.416667
Total energy: -36.040680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.040680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.040680 (E_RNA)
where:
Base-Base interactions energy: -6.182
where: short stacking energy: -2.257
Base-Backbone interact. energy: 0.622
local terms energy: -30.481466
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -6.540
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: 11.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 112
Temperature: 2.433333
Total energy: -35.459458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.459458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.459458 (E_RNA)
where:
Base-Base interactions energy: -14.160
where: short stacking energy: -15.039
Base-Backbone interact. energy: -0.176
local terms energy: -21.122804
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: 3.303
flat angles P-C4'-P energy: -5.593
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: 7, replica: 6
=====================================
Write number: 112
Temperature: 2.450000
Total energy: -43.218777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.218777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.218777 (E_RNA)
where:
Base-Base interactions energy: -12.929
where: short stacking energy: -11.520
Base-Backbone interact. energy: -0.430
local terms energy: -29.860324
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -3.247
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: 7.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 112
Temperature: 2.466667
Total energy: -32.962650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.962650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.962650 (E_RNA)
where:
Base-Base interactions energy: -1.348
where: short stacking energy: -1.364
Base-Backbone interact. energy: 1.805
local terms energy: -33.419948
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -8.885
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: 10.536
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: 7
=====================================
Write number: 112
Temperature: 2.483333
Total energy: -35.941327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.941327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.941327 (E_RNA)
where:
Base-Base interactions energy: -10.799
where: short stacking energy: -8.892
Base-Backbone interact. energy: -0.621
local terms energy: -24.521273
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: 0.315
tors. eta vs tors. theta energy: 8.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 112
Temperature: 2.500000
Total energy: -33.278105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.278105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.278105 (E_RNA)
where:
Base-Base interactions energy: -5.524
where: short stacking energy: -3.423
Base-Backbone interact. energy: -0.194
local terms energy: -27.559974
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -9.156
flat angles P-C4'-P energy: 2.178
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: 1, replica: 10
=====================================
Write number: 113
Temperature: 2.350000
Total energy: -44.544559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.544559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.544559 (E_RNA)
where:
Base-Base interactions energy: -15.556
where: short stacking energy: -13.116
Base-Backbone interact. energy: -0.705
local terms energy: -28.283542
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -6.976
flat angles C4'-P-C4' energy: -9.374
flat angles P-C4'-P energy: -3.021
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: 2, replica: 8
=====================================
Write number: 113
Temperature: 2.366667
Total energy: -35.627153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.627153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.627153 (E_RNA)
where:
Base-Base interactions energy: -5.923
where: short stacking energy: -5.441
Base-Backbone interact. energy: 1.038
local terms energy: -30.742946
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -4.645
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: 7.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 2.383333
Total energy: -37.785539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.785539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.785539 (E_RNA)
where:
Base-Base interactions energy: -6.111
where: short stacking energy: -7.761
Base-Backbone interact. energy: -0.993
local terms energy: -30.681322
where:
bonds (distance) C4'-P energy: -8.913
bonds (distance) P-C4' energy: -9.228
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -2.546
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: 4
=====================================
Write number: 113
Temperature: 2.400000
Total energy: -36.262481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.262481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.262481 (E_RNA)
where:
Base-Base interactions energy: -6.096
where: short stacking energy: -1.960
Base-Backbone interact. energy: -0.421
local terms energy: -29.746199
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -9.062
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: 12.064
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: 5, replica: 2
=====================================
Write number: 113
Temperature: 2.416667
Total energy: -42.881344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.881344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.881344 (E_RNA)
where:
Base-Base interactions energy: -6.474
where: short stacking energy: -2.959
Base-Backbone interact. energy: -0.189
local terms energy: -36.217574
where:
bonds (distance) C4'-P energy: -6.031
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -8.310
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: 6, replica: 6
=====================================
Write number: 113
Temperature: 2.433333
Total energy: -34.394469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.394469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.394469 (E_RNA)
where:
Base-Base interactions energy: -6.436
where: short stacking energy: -6.936
Base-Backbone interact. energy: -1.414
local terms energy: -26.544429
where:
bonds (distance) C4'-P energy: -8.382
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -8.425
flat angles P-C4'-P energy: 0.477
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: 7, replica: 5
=====================================
Write number: 113
Temperature: 2.450000
Total energy: -37.210918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.210918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.210918 (E_RNA)
where:
Base-Base interactions energy: -2.553
where: short stacking energy: -1.686
Base-Backbone interact. energy: 0.001
local terms energy: -34.659174
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -2.013
tors. eta vs tors. theta energy: 1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 113
Temperature: 2.466667
Total energy: -44.071948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.071948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.071948 (E_RNA)
where:
Base-Base interactions energy: -3.652
where: short stacking energy: -3.652
Base-Backbone interact. energy: -0.485
local terms energy: -39.935787
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -4.225
tors. eta vs tors. theta energy: 8.016
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: 9
=====================================
Write number: 113
Temperature: 2.483333
Total energy: -39.282843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.282843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.282843 (E_RNA)
where:
Base-Base interactions energy: -5.375
where: short stacking energy: -5.375
Base-Backbone interact. energy: 0.063
local terms energy: -33.971021
where:
bonds (distance) C4'-P energy: -8.257
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: 1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 113
Temperature: 2.500000
Total energy: -34.708088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.708088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.708088 (E_RNA)
where:
Base-Base interactions energy: -9.225
where: short stacking energy: -8.825
Base-Backbone interact. energy: -0.234
local terms energy: -25.249073
where:
bonds (distance) C4'-P energy: -9.285
bonds (distance) P-C4' energy: -8.711
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: 8.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 114
Temperature: 2.350000
Total energy: -39.070247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.070247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.070247 (E_RNA)
where:
Base-Base interactions energy: -9.680
where: short stacking energy: -8.161
Base-Backbone interact. energy: 0.034
local terms energy: -29.423447
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -7.257
flat angles P-C4'-P energy: -0.359
tors. eta vs tors. theta energy: 9.152
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: 10
=====================================
Write number: 114
Temperature: 2.366667
Total energy: -35.598586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.598586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.598586 (E_RNA)
where:
Base-Base interactions energy: -2.922
where: short stacking energy: -3.722
Base-Backbone interact. energy: -0.086
local terms energy: -32.589627
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -4.567
flat angles P-C4'-P energy: -6.431
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: 3, replica: 4
=====================================
Write number: 114
Temperature: 2.383333
Total energy: -36.967558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.967558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.967558 (E_RNA)
where:
Base-Base interactions energy: -7.344
where: short stacking energy: -7.261
Base-Backbone interact. energy: 5.236
local terms energy: -34.859517
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: 1.473
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: 3
=====================================
Write number: 114
Temperature: 2.400000
Total energy: -38.603962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.603962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.603962 (E_RNA)
where:
Base-Base interactions energy: -7.990
where: short stacking energy: -6.494
Base-Backbone interact. energy: -0.454
local terms energy: -30.159673
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -6.891
flat angles P-C4'-P energy: -6.053
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: 5, replica: 6
=====================================
Write number: 114
Temperature: 2.416667
Total energy: -34.706987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.706987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.706987 (E_RNA)
where:
Base-Base interactions energy: -11.904
where: short stacking energy: -11.240
Base-Backbone interact. energy: 0.202
local terms energy: -23.004910
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: 0.223
flat angles P-C4'-P energy: -0.276
tors. eta vs tors. theta energy: 2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 114
Temperature: 2.433333
Total energy: -36.979962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.979962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.979962 (E_RNA)
where:
Base-Base interactions energy: -8.713
where: short stacking energy: -8.713
Base-Backbone interact. energy: 1.173
local terms energy: -29.439416
where:
bonds (distance) C4'-P energy: -5.877
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -7.950
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: 5.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 114
Temperature: 2.450000
Total energy: -40.491624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.491624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.491624 (E_RNA)
where:
Base-Base interactions energy: -6.638
where: short stacking energy: -6.345
Base-Backbone interact. energy: 1.476
local terms energy: -35.330175
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: 10.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 114
Temperature: 2.466667
Total energy: -40.174345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.174345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.174345 (E_RNA)
where:
Base-Base interactions energy: -8.847
where: short stacking energy: -6.041
Base-Backbone interact. energy: -0.373
local terms energy: -30.954026
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: 1.253
tors. eta vs tors. theta energy: 6.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 114
Temperature: 2.483333
Total energy: -33.064767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.064767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.064767 (E_RNA)
where:
Base-Base interactions energy: -6.116
where: short stacking energy: -5.059
Base-Backbone interact. energy: -0.130
local terms energy: -26.817851
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -5.596
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: 8.826
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: 9
=====================================
Write number: 114
Temperature: 2.500000
Total energy: -34.438124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.438124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.438124 (E_RNA)
where:
Base-Base interactions energy: -5.810
where: short stacking energy: -5.441
Base-Backbone interact. energy: -0.624
local terms energy: -28.004453
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -5.572
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: 10.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 115
Temperature: 2.350000
Total energy: -35.397805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.397805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.397805 (E_RNA)
where:
Base-Base interactions energy: -4.399
where: short stacking energy: -3.715
Base-Backbone interact. energy: 5.416
local terms energy: -36.414374
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: 13.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 115
Temperature: 2.366667
Total energy: -36.686616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.686616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.686616 (E_RNA)
where:
Base-Base interactions energy: -12.920
where: short stacking energy: -9.406
Base-Backbone interact. energy: -0.829
local terms energy: -22.937942
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -6.861
flat angles P-C4'-P energy: 4.401
tors. eta vs tors. theta energy: 8.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 115
Temperature: 2.383333
Total energy: -37.966430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.966430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.966430 (E_RNA)
where:
Base-Base interactions energy: -12.190
where: short stacking energy: -10.015
Base-Backbone interact. energy: -0.037
local terms energy: -25.739401
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -0.959
flat angles P-C4'-P energy: -8.263
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: 4, replica: 6
=====================================
Write number: 115
Temperature: 2.400000
Total energy: -39.109164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.109164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.109164 (E_RNA)
where:
Base-Base interactions energy: -14.733
where: short stacking energy: -12.144
Base-Backbone interact. energy: -0.818
local terms energy: -23.558651
where:
bonds (distance) C4'-P energy: -7.551
bonds (distance) P-C4' energy: -7.944
flat angles C4'-P-C4' energy: -6.418
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: 2.444
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: 3
=====================================
Write number: 115
Temperature: 2.416667
Total energy: -34.013384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.013384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.013384 (E_RNA)
where:
Base-Base interactions energy: -5.930
where: short stacking energy: -4.194
Base-Backbone interact. energy: -0.539
local terms energy: -27.544991
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -3.422
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: 7.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 2.433333
Total energy: -45.029904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.029904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.029904 (E_RNA)
where:
Base-Base interactions energy: -6.697
where: short stacking energy: -9.597
Base-Backbone interact. energy: 1.424
local terms energy: -39.756876
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -1.805
tors. eta vs tors. theta energy: 3.437
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: 7, replica: 2
=====================================
Write number: 115
Temperature: 2.450000
Total energy: -36.903346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.903346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.903346 (E_RNA)
where:
Base-Base interactions energy: -16.427
where: short stacking energy: -16.269
Base-Backbone interact. energy: 0.512
local terms energy: -20.988493
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -5.950
flat angles P-C4'-P energy: 5.085
tors. eta vs tors. theta energy: 5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 115
Temperature: 2.466667
Total energy: -38.279485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.279485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.279485 (E_RNA)
where:
Base-Base interactions energy: -7.964
where: short stacking energy: -6.243
Base-Backbone interact. energy: -0.195
local terms energy: -30.121018
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -5.435
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -2.969
tors. eta vs tors. theta energy: -0.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 115
Temperature: 2.483333
Total energy: -43.579317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.579317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.579317 (E_RNA)
where:
Base-Base interactions energy: -7.548
where: short stacking energy: -6.964
Base-Backbone interact. energy: 1.588
local terms energy: -37.618967
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -10.429
flat angles P-C4'-P energy: -1.357
tors. eta vs tors. theta energy: 4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 2.500000
Total energy: -34.508122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.508122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.508122 (E_RNA)
where:
Base-Base interactions energy: -7.569
where: short stacking energy: -6.716
Base-Backbone interact. energy: -0.254
local terms energy: -26.684657
where:
bonds (distance) C4'-P energy: -7.976
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -1.432
tors. eta vs tors. theta energy: 7.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 116
Temperature: 2.350000
Total energy: -39.839795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.839795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.839795 (E_RNA)
where:
Base-Base interactions energy: -11.794
where: short stacking energy: -6.950
Base-Backbone interact. energy: 1.479
local terms energy: -29.524717
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -6.057
flat angles P-C4'-P energy: -6.712
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: 2, replica: 8
=====================================
Write number: 116
Temperature: 2.366667
Total energy: -42.195240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.195240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.195240 (E_RNA)
where:
Base-Base interactions energy: -6.640
where: short stacking energy: -0.480
Base-Backbone interact. energy: 1.120
local terms energy: -36.675518
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -8.425
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: 8.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 116
Temperature: 2.383333
Total energy: -38.176597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.176597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.176597 (E_RNA)
where:
Base-Base interactions energy: -11.228
where: short stacking energy: -8.307
Base-Backbone interact. energy: -0.293
local terms energy: -26.655587
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -7.800
flat angles P-C4'-P energy: -3.651
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: 4, replica: 10
=====================================
Write number: 116
Temperature: 2.400000
Total energy: -40.604533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.604533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.604533 (E_RNA)
where:
Base-Base interactions energy: -9.952
where: short stacking energy: -9.952
Base-Backbone interact. energy: -0.170
local terms energy: -30.482717
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -7.085
flat angles P-C4'-P energy: -1.942
tors. eta vs tors. theta energy: 7.120
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: 116
Temperature: 2.416667
Total energy: -39.325071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.325071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.325071 (E_RNA)
where:
Base-Base interactions energy: -8.815
where: short stacking energy: -10.604
Base-Backbone interact. energy: -0.197
local terms energy: -30.313258
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -4.459
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: 6.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 2.433333
Total energy: -36.880628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.880628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.880628 (E_RNA)
where:
Base-Base interactions energy: -8.307
where: short stacking energy: -6.995
Base-Backbone interact. energy: 1.022
local terms energy: -29.595529
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -7.059
flat angles P-C4'-P energy: -3.083
tors. eta vs tors. theta energy: 8.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 116
Temperature: 2.450000
Total energy: -38.551646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.551646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.551646 (E_RNA)
where:
Base-Base interactions energy: -7.487
where: short stacking energy: -5.657
Base-Backbone interact. energy: 0.048
local terms energy: -31.112228
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -0.076
tors. eta vs tors. theta energy: 5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 116
Temperature: 2.466667
Total energy: -36.707891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.707891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.707891 (E_RNA)
where:
Base-Base interactions energy: -10.003
where: short stacking energy: -10.003
Base-Backbone interact. energy: -0.205
local terms energy: -26.499888
where:
bonds (distance) C4'-P energy: -5.966
bonds (distance) P-C4' energy: -9.238
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -4.103
tors. eta vs tors. theta energy: 4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 2.483333
Total energy: -35.257212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.257212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.257212 (E_RNA)
where:
Base-Base interactions energy: -8.346
where: short stacking energy: -8.346
Base-Backbone interact. energy: 0.084
local terms energy: -26.994635
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: 2.213
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -2.944
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: 5
=====================================
Write number: 116
Temperature: 2.500000
Total energy: -35.108299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.108299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.108299 (E_RNA)
where:
Base-Base interactions energy: -9.111
where: short stacking energy: -5.521
Base-Backbone interact. energy: 1.235
local terms energy: -27.232356
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -6.597
flat angles P-C4'-P energy: -5.189
tors. eta vs tors. theta energy: 5.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 117
Temperature: 2.350000
Total energy: -35.378103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.378103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.378103 (E_RNA)
where:
Base-Base interactions energy: -4.996
where: short stacking energy: -4.458
Base-Backbone interact. energy: 4.790
local terms energy: -35.172271
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -11.432
flat angles C4'-P-C4' energy: -8.033
flat angles P-C4'-P energy: -5.721
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: 2, replica: 6
=====================================
Write number: 117
Temperature: 2.366667
Total energy: -37.637646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.637646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.637646 (E_RNA)
where:
Base-Base interactions energy: -2.268
where: short stacking energy: -1.650
Base-Backbone interact. energy: 0.092
local terms energy: -35.461754
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -6.833
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: 5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 117
Temperature: 2.383333
Total energy: -41.667381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.667381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.667381 (E_RNA)
where:
Base-Base interactions energy: -16.389
where: short stacking energy: -13.799
Base-Backbone interact. energy: 1.194
local terms energy: -26.472064
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -4.428
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -1.379
tors. eta vs tors. theta energy: 7.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 117
Temperature: 2.400000
Total energy: -39.317381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.317381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.317381 (E_RNA)
where:
Base-Base interactions energy: -4.517
where: short stacking energy: -4.419
Base-Backbone interact. energy: -0.065
local terms energy: -34.735872
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -4.875
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: 5.996
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: 10
=====================================
Write number: 117
Temperature: 2.416667
Total energy: -44.660477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.660477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.660477 (E_RNA)
where:
Base-Base interactions energy: -8.830
where: short stacking energy: -8.264
Base-Backbone interact. energy: 0.299
local terms energy: -36.129502
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -7.763
flat angles P-C4'-P energy: -8.021
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: 1
=====================================
Write number: 117
Temperature: 2.433333
Total energy: -45.017675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.017675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.017675 (E_RNA)
where:
Base-Base interactions energy: -13.122
where: short stacking energy: -7.007
Base-Backbone interact. energy: 0.180
local terms energy: -32.075613
where:
bonds (distance) C4'-P energy: -8.243
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -6.834
flat angles P-C4'-P energy: 0.108
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: 3
=====================================
Write number: 117
Temperature: 2.450000
Total energy: -38.728660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.728660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.728660 (E_RNA)
where:
Base-Base interactions energy: -2.615
where: short stacking energy: -1.355
Base-Backbone interact. energy: -0.756
local terms energy: -35.358051
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -7.752
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: 10.070
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: 8, replica: 9
=====================================
Write number: 117
Temperature: 2.466667
Total energy: -37.975593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.975593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.975593 (E_RNA)
where:
Base-Base interactions energy: -8.483
where: short stacking energy: -8.483
Base-Backbone interact. energy: -0.085
local terms energy: -29.407775
where:
bonds (distance) C4'-P energy: -6.023
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: 10.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 117
Temperature: 2.483333
Total energy: -33.340111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.340111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.340111 (E_RNA)
where:
Base-Base interactions energy: -7.112
where: short stacking energy: -7.112
Base-Backbone interact. energy: -0.158
local terms energy: -26.069735
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -10.596
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: 0.739
tors. eta vs tors. theta energy: 7.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 117
Temperature: 2.500000
Total energy: -34.759101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.759101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.759101 (E_RNA)
where:
Base-Base interactions energy: -11.133
where: short stacking energy: -6.410
Base-Backbone interact. energy: -0.225
local terms energy: -23.400615
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -2.739
flat angles P-C4'-P energy: 1.400
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: 1, replica: 6
=====================================
Write number: 118
Temperature: 2.350000
Total energy: -40.744361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.744361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.744361 (E_RNA)
where:
Base-Base interactions energy: -12.525
where: short stacking energy: -10.754
Base-Backbone interact. energy: 3.664
local terms energy: -31.883291
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -7.312
flat angles P-C4'-P energy: -3.470
tors. eta vs tors. theta energy: 2.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 118
Temperature: 2.366667
Total energy: -48.116014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.116014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.116014 (E_RNA)
where:
Base-Base interactions energy: -11.895
where: short stacking energy: -11.773
Base-Backbone interact. energy: 0.222
local terms energy: -36.443834
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -9.702
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -1.532
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: 3, replica: 7
=====================================
Write number: 118
Temperature: 2.383333
Total energy: -39.341670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.341670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.341670 (E_RNA)
where:
Base-Base interactions energy: -3.512
where: short stacking energy: -3.512
Base-Backbone interact. energy: -0.237
local terms energy: -35.592536
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -6.176
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: 9.110
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: 4, replica: 8
=====================================
Write number: 118
Temperature: 2.400000
Total energy: -43.784005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.784005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.784005 (E_RNA)
where:
Base-Base interactions energy: -8.695
where: short stacking energy: -8.264
Base-Backbone interact. energy: 1.081
local terms energy: -36.169235
where:
bonds (distance) C4'-P energy: -8.257
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -4.156
tors. eta vs tors. theta energy: 3.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 118
Temperature: 2.416667
Total energy: -39.378606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.378606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.378606 (E_RNA)
where:
Base-Base interactions energy: -1.071
where: short stacking energy: -1.071
Base-Backbone interact. energy: 1.116
local terms energy: -39.423760
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: 11.678
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: 6, replica: 10
=====================================
Write number: 118
Temperature: 2.433333
Total energy: -39.230512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.230512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.230512 (E_RNA)
where:
Base-Base interactions energy: -7.322
where: short stacking energy: -7.322
Base-Backbone interact. energy: -0.136
local terms energy: -31.772443
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -9.717
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: 7.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 118
Temperature: 2.450000
Total energy: -34.172075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.172075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.172075 (E_RNA)
where:
Base-Base interactions energy: -10.114
where: short stacking energy: -10.106
Base-Backbone interact. energy: 0.704
local terms energy: -24.762270
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: 0.937
flat angles C4'-P-C4' energy: -6.049
flat angles P-C4'-P energy: -8.974
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: 8, replica: 3
=====================================
Write number: 118
Temperature: 2.466667
Total energy: -41.017982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.017982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.017982 (E_RNA)
where:
Base-Base interactions energy: -19.294
where: short stacking energy: -15.586
Base-Backbone interact. energy: 0.287
local terms energy: -22.011812
where:
bonds (distance) C4'-P energy: -2.234
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -5.244
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: 4.481
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: 5
=====================================
Write number: 118
Temperature: 2.483333
Total energy: -35.572304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.572304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.572304 (E_RNA)
where:
Base-Base interactions energy: -5.933
where: short stacking energy: -4.573
Base-Backbone interact. energy: -0.115
local terms energy: -29.524631
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -8.947
flat angles C4'-P-C4' energy: -7.994
flat angles P-C4'-P energy: -3.806
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: 10, replica: 2
=====================================
Write number: 118
Temperature: 2.500000
Total energy: -37.205932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.205932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.205932 (E_RNA)
where:
Base-Base interactions energy: -8.348
where: short stacking energy: -6.062
Base-Backbone interact. energy: 0.821
local terms energy: -29.678210
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: 2.190
tors. eta vs tors. theta energy: 3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 119
Temperature: 2.350000
Total energy: -40.074093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.074093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.074093 (E_RNA)
where:
Base-Base interactions energy: -12.682
where: short stacking energy: -11.318
Base-Backbone interact. energy: 0.066
local terms energy: -27.458186
where:
bonds (distance) C4'-P energy: -8.345
bonds (distance) P-C4' energy: -9.007
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -4.105
tors. eta vs tors. theta energy: 8.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 119
Temperature: 2.366667
Total energy: -36.615088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.615088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.615088 (E_RNA)
where:
Base-Base interactions energy: -5.349
where: short stacking energy: -6.127
Base-Backbone interact. energy: -0.094
local terms energy: -31.172302
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: 10.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 119
Temperature: 2.383333
Total energy: -43.799792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.799792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.799792 (E_RNA)
where:
Base-Base interactions energy: -7.909
where: short stacking energy: -6.900
Base-Backbone interact. energy: -0.456
local terms energy: -35.435399
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: 8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 119
Temperature: 2.400000
Total energy: -46.520143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.520143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.520143 (E_RNA)
where:
Base-Base interactions energy: -5.748
where: short stacking energy: -5.748
Base-Backbone interact. energy: 0.723
local terms energy: -41.494397
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: 8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 119
Temperature: 2.416667
Total energy: -39.533176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.533176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.533176 (E_RNA)
where:
Base-Base interactions energy: -5.479
where: short stacking energy: -5.049
Base-Backbone interact. energy: -0.013
local terms energy: -34.040921
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -7.189
flat angles P-C4'-P energy: -0.218
tors. eta vs tors. theta energy: 6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 119
Temperature: 2.433333
Total energy: -36.778569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.778569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.778569 (E_RNA)
where:
Base-Base interactions energy: -7.550
where: short stacking energy: -7.550
Base-Backbone interact. energy: -0.169
local terms energy: -29.060112
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -7.976
flat angles P-C4'-P energy: -2.087
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: 7, replica: 10
=====================================
Write number: 119
Temperature: 2.450000
Total energy: -30.768895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.768895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.768895 (E_RNA)
where:
Base-Base interactions energy: -4.791
where: short stacking energy: -3.506
Base-Backbone interact. energy: -0.433
local terms energy: -25.544827
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -4.899
flat angles P-C4'-P energy: -1.943
tors. eta vs tors. theta energy: 11.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 119
Temperature: 2.466667
Total energy: -41.782007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.782007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.782007 (E_RNA)
where:
Base-Base interactions energy: -14.575
where: short stacking energy: -10.560
Base-Backbone interact. energy: 3.093
local terms energy: -30.300422
where:
bonds (distance) C4'-P energy: -8.970
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -4.806
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: 5.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 119
Temperature: 2.483333
Total energy: -37.251728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.251728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.251728 (E_RNA)
where:
Base-Base interactions energy: -7.950
where: short stacking energy: -7.950
Base-Backbone interact. energy: -0.264
local terms energy: -29.037716
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -7.237
flat angles P-C4'-P energy: -2.503
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: 10, replica: 2
=====================================
Write number: 119
Temperature: 2.500000
Total energy: -40.907785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.907785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.907785 (E_RNA)
where:
Base-Base interactions energy: -5.075
where: short stacking energy: -5.075
Base-Backbone interact. energy: -0.010
local terms energy: -35.823273
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -10.683
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: 3.490
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: 120
Temperature: 2.350000
Total energy: -41.178565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.178565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.178565 (E_RNA)
where:
Base-Base interactions energy: -7.669
where: short stacking energy: -6.669
Base-Backbone interact. energy: -0.283
local terms energy: -33.227331
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: 0.517
flat angles P-C4'-P energy: -12.742
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: 6
=====================================
Write number: 120
Temperature: 2.366667
Total energy: -40.763268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.763268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.763268 (E_RNA)
where:
Base-Base interactions energy: -7.600
where: short stacking energy: -7.600
Base-Backbone interact. energy: -0.191
local terms energy: -32.971667
where:
bonds (distance) C4'-P energy: -2.962
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -7.177
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: 3, replica: 1
=====================================
Write number: 120
Temperature: 2.383333
Total energy: -40.352321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.352321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.352321 (E_RNA)
where:
Base-Base interactions energy: -6.582
where: short stacking energy: -5.776
Base-Backbone interact. energy: -0.139
local terms energy: -33.630776
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -4.718
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: 7.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 120
Temperature: 2.400000
Total energy: -40.230616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.230616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.230616 (E_RNA)
where:
Base-Base interactions energy: -4.108
where: short stacking energy: -4.108
Base-Backbone interact. energy: -0.836
local terms energy: -35.287339
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -7.976
flat angles P-C4'-P energy: -2.102
tors. eta vs tors. theta energy: 6.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 120
Temperature: 2.416667
Total energy: -45.927657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.927657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.927657 (E_RNA)
where:
Base-Base interactions energy: -8.927
where: short stacking energy: -9.710
Base-Backbone interact. energy: -0.234
local terms energy: -36.767275
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -3.946
tors. eta vs tors. theta energy: 8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 120
Temperature: 2.433333
Total energy: -34.877471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.877471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.877471 (E_RNA)
where:
Base-Base interactions energy: -7.037
where: short stacking energy: -7.037
Base-Backbone interact. energy: 0.228
local terms energy: -28.068415
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -6.952
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: 9.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 120
Temperature: 2.450000
Total energy: -35.825942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.825942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.825942 (E_RNA)
where:
Base-Base interactions energy: -4.740
where: short stacking energy: -4.125
Base-Backbone interact. energy: -0.867
local terms energy: -30.218453
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -1.881
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: 5.169
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: 10
=====================================
Write number: 120
Temperature: 2.466667
Total energy: -34.016316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.016316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.016316 (E_RNA)
where:
Base-Base interactions energy: -14.165
where: short stacking energy: -11.309
Base-Backbone interact. energy: 0.808
local terms energy: -20.659689
where:
bonds (distance) C4'-P energy: -8.149
bonds (distance) P-C4' energy: -10.435
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: 3.575
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: 9, replica: 2
=====================================
Write number: 120
Temperature: 2.483333
Total energy: -38.556912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.556912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.556912 (E_RNA)
where:
Base-Base interactions energy: -5.398
where: short stacking energy: -5.398
Base-Backbone interact. energy: -0.126
local terms energy: -33.032337
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -10.259
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: 11.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 120
Temperature: 2.500000
Total energy: -39.897694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.897694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.897694 (E_RNA)
where:
Base-Base interactions energy: -6.151
where: short stacking energy: -7.838
Base-Backbone interact. energy: -0.278
local terms energy: -33.469121
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: 9.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 121
Temperature: 2.350000
Total energy: -43.246402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.246402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.246402 (E_RNA)
where:
Base-Base interactions energy: -9.118
where: short stacking energy: -6.976
Base-Backbone interact. energy: 1.660
local terms energy: -35.788167
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -6.193
flat angles P-C4'-P energy: -0.239
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: 2, replica: 1
=====================================
Write number: 121
Temperature: 2.366667
Total energy: -38.981452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.981452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.981452 (E_RNA)
where:
Base-Base interactions energy: -8.118
where: short stacking energy: -7.949
Base-Backbone interact. energy: -0.225
local terms energy: -30.638633
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: 3.696
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: 3, replica: 6
=====================================
Write number: 121
Temperature: 2.383333
Total energy: -35.701137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.701137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.701137 (E_RNA)
where:
Base-Base interactions energy: -1.718
where: short stacking energy: -0.588
Base-Backbone interact. energy: 1.935
local terms energy: -35.918056
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -5.554
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: 4, replica: 9
=====================================
Write number: 121
Temperature: 2.400000
Total energy: -40.435635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.435635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.435635 (E_RNA)
where:
Base-Base interactions energy: -2.287
where: short stacking energy: -2.287
Base-Backbone interact. energy: -0.087
local terms energy: -38.061767
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -8.341
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: 5, replica: 4
=====================================
Write number: 121
Temperature: 2.416667
Total energy: -36.767639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.767639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.767639 (E_RNA)
where:
Base-Base interactions energy: -8.956
where: short stacking energy: -6.550
Base-Backbone interact. energy: -0.345
local terms energy: -27.467334
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -2.186
tors. eta vs tors. theta energy: 9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 121
Temperature: 2.433333
Total energy: -33.857798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.857798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.857798 (E_RNA)
where:
Base-Base interactions energy: -10.513
where: short stacking energy: -8.246
Base-Backbone interact. energy: 0.057
local terms energy: -23.402290
where:
bonds (distance) C4'-P energy: -10.710
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -4.026
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: 8.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 121
Temperature: 2.450000
Total energy: -36.537136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.537136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.537136 (E_RNA)
where:
Base-Base interactions energy: -6.851
where: short stacking energy: -6.562
Base-Backbone interact. energy: -0.165
local terms energy: -29.520794
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -3.031
tors. eta vs tors. theta energy: 8.601
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: 121
Temperature: 2.466667
Total energy: -35.060232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.060232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.060232 (E_RNA)
where:
Base-Base interactions energy: -2.211
where: short stacking energy: -0.863
Base-Backbone interact. energy: -0.232
local terms energy: -32.617213
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -3.136
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: 12.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 121
Temperature: 2.483333
Total energy: -33.670190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.670190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.670190 (E_RNA)
where:
Base-Base interactions energy: -11.161
where: short stacking energy: -9.041
Base-Backbone interact. energy: -0.035
local terms energy: -22.474031
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -5.914
flat angles C4'-P-C4' energy: -3.967
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: 6.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 121
Temperature: 2.500000
Total energy: -41.337486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.337486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.337486 (E_RNA)
where:
Base-Base interactions energy: -12.265
where: short stacking energy: -10.334
Base-Backbone interact. energy: -0.209
local terms energy: -28.863002
where:
bonds (distance) C4'-P energy: -3.054
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: 3.843
tors. eta vs tors. theta energy: 7.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 2.350000
Total energy: -38.900208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.900208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.900208 (E_RNA)
where:
Base-Base interactions energy: -9.017
where: short stacking energy: -2.029
Base-Backbone interact. energy: -0.414
local terms energy: -29.469846
where:
bonds (distance) C4'-P energy: -2.386
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: 7.892
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: 7
=====================================
Write number: 122
Temperature: 2.366667
Total energy: -37.575692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.575692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.575692 (E_RNA)
where:
Base-Base interactions energy: -15.712
where: short stacking energy: -13.622
Base-Backbone interact. energy: -1.344
local terms energy: -20.520097
where:
bonds (distance) C4'-P energy: -9.219
bonds (distance) P-C4' energy: -9.394
flat angles C4'-P-C4' energy: -7.614
flat angles P-C4'-P energy: -4.197
tors. eta vs tors. theta energy: 9.904
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: 9
=====================================
Write number: 122
Temperature: 2.383333
Total energy: -42.588476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.588476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.588476 (E_RNA)
where:
Base-Base interactions energy: -14.171
where: short stacking energy: -11.932
Base-Backbone interact. energy: 0.354
local terms energy: -28.771531
where:
bonds (distance) C4'-P energy: -7.006
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -5.779
flat angles P-C4'-P energy: -2.782
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: 4, replica: 6
=====================================
Write number: 122
Temperature: 2.400000
Total energy: -42.065695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.065695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.065695 (E_RNA)
where:
Base-Base interactions energy: -7.563
where: short stacking energy: -4.007
Base-Backbone interact. energy: 0.704
local terms energy: -35.206981
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: 0.808
tors. eta vs tors. theta energy: 7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 122
Temperature: 2.416667
Total energy: -36.774120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.774120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.774120 (E_RNA)
where:
Base-Base interactions energy: -5.149
where: short stacking energy: -5.149
Base-Backbone interact. energy: 0.326
local terms energy: -31.951504
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -6.084
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: 7.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 122
Temperature: 2.433333
Total energy: -33.291374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.291374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.291374 (E_RNA)
where:
Base-Base interactions energy: -1.800
where: short stacking energy: -1.800
Base-Backbone interact. energy: -0.204
local terms energy: -31.287156
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -5.289
flat angles P-C4'-P energy: -4.367
tors. eta vs tors. theta energy: 4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 122
Temperature: 2.450000
Total energy: -36.048983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.048983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.048983 (E_RNA)
where:
Base-Base interactions energy: -1.649
where: short stacking energy: 0.000
Base-Backbone interact. energy: 0.305
local terms energy: -34.704797
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: 7.736
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: 8
=====================================
Write number: 122
Temperature: 2.466667
Total energy: -34.924414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.924414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.924414 (E_RNA)
where:
Base-Base interactions energy: -5.731
where: short stacking energy: -5.323
Base-Backbone interact. energy: 1.014
local terms energy: -30.207971
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: 0.497
tors. eta vs tors. theta energy: 8.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 122
Temperature: 2.483333
Total energy: -40.989770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.989770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.989770 (E_RNA)
where:
Base-Base interactions energy: -2.391
where: short stacking energy: -1.672
Base-Backbone interact. energy: -0.171
local terms energy: -38.427007
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: 9.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 2.500000
Total energy: -39.676734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.676734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.676734 (E_RNA)
where:
Base-Base interactions energy: -15.037
where: short stacking energy: -6.312
Base-Backbone interact. energy: 0.398
local terms energy: -25.037394
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -5.531
flat angles P-C4'-P energy: -3.640
tors. eta vs tors. theta energy: 9.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 2.350000
Total energy: -35.562812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.562812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.562812 (E_RNA)
where:
Base-Base interactions energy: -6.784
where: short stacking energy: -0.951
Base-Backbone interact. energy: -0.310
local terms energy: -28.469633
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -10.710
flat angles C4'-P-C4' energy: -5.980
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: 8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 123
Temperature: 2.366667
Total energy: -39.615781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.615781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.615781 (E_RNA)
where:
Base-Base interactions energy: -8.209
where: short stacking energy: -6.044
Base-Backbone interact. energy: 0.118
local terms energy: -31.525068
where:
bonds (distance) C4'-P energy: -8.245
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -2.772
tors. eta vs tors. theta energy: 7.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 123
Temperature: 2.383333
Total energy: -39.437332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.437332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.437332 (E_RNA)
where:
Base-Base interactions energy: -4.978
where: short stacking energy: -6.824
Base-Backbone interact. energy: 1.354
local terms energy: -35.813773
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -4.951
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: 9.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 123
Temperature: 2.400000
Total energy: -37.104366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.104366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.104366 (E_RNA)
where:
Base-Base interactions energy: -7.879
where: short stacking energy: -5.852
Base-Backbone interact. energy: -0.032
local terms energy: -29.193037
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -7.689
flat angles P-C4'-P energy: -2.622
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: 5, replica: 6
=====================================
Write number: 123
Temperature: 2.416667
Total energy: -36.413009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.413009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.413009 (E_RNA)
where:
Base-Base interactions energy: -9.151
where: short stacking energy: -9.151
Base-Backbone interact. energy: -0.474
local terms energy: -26.788206
where:
bonds (distance) C4'-P energy: -4.014
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -3.182
tors. eta vs tors. theta energy: 2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 123
Temperature: 2.433333
Total energy: -36.636570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.636570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.636570 (E_RNA)
where:
Base-Base interactions energy: -11.894
where: short stacking energy: -8.672
Base-Backbone interact. energy: -0.597
local terms energy: -24.145121
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -4.386
flat angles P-C4'-P energy: -3.445
tors. eta vs tors. theta energy: 9.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 123
Temperature: 2.450000
Total energy: -34.514257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.514257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.514257 (E_RNA)
where:
Base-Base interactions energy: -3.162
where: short stacking energy: -3.762
Base-Backbone interact. energy: -0.107
local terms energy: -31.245912
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -7.913
flat angles P-C4'-P energy: 0.602
tors. eta vs tors. theta energy: 8.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 123
Temperature: 2.466667
Total energy: -36.344826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.344826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.344826 (E_RNA)
where:
Base-Base interactions energy: -4.836
where: short stacking energy: -2.442
Base-Backbone interact. energy: -0.390
local terms energy: -31.118601
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -6.515
flat angles P-C4'-P energy: -5.783
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: 9, replica: 8
=====================================
Write number: 123
Temperature: 2.483333
Total energy: -41.418643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.418643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.418643 (E_RNA)
where:
Base-Base interactions energy: -13.081
where: short stacking energy: -10.853
Base-Backbone interact. energy: -0.259
local terms energy: -28.079497
where:
bonds (distance) C4'-P energy: -7.220
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -6.796
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: 7.520
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: 10
=====================================
Write number: 123
Temperature: 2.500000
Total energy: -38.133224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.133224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.133224 (E_RNA)
where:
Base-Base interactions energy: -15.219
where: short stacking energy: -12.945
Base-Backbone interact. energy: -1.000
local terms energy: -21.913871
where:
bonds (distance) C4'-P energy: -8.789
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -0.938
flat angles P-C4'-P energy: -7.699
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: 1, replica: 9
=====================================
Write number: 124
Temperature: 2.350000
Total energy: -37.749968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.749968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.749968 (E_RNA)
where:
Base-Base interactions energy: 0.024
where: short stacking energy: -1.115
Base-Backbone interact. energy: -0.215
local terms energy: -37.558354
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -5.418
tors. eta vs tors. theta energy: 7.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 2.366667
Total energy: -38.213485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.213485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.213485 (E_RNA)
where:
Base-Base interactions energy: -0.789
where: short stacking energy: -0.789
Base-Backbone interact. energy: 0.568
local terms energy: -37.992762
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -9.754
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: 3, replica: 5
=====================================
Write number: 124
Temperature: 2.383333
Total energy: -40.244549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.244549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.244549 (E_RNA)
where:
Base-Base interactions energy: -3.509
where: short stacking energy: -2.393
Base-Backbone interact. energy: 1.143
local terms energy: -37.878231
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -7.432
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: 4.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 124
Temperature: 2.400000
Total energy: -46.208570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.208570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.208570 (E_RNA)
where:
Base-Base interactions energy: -16.993
where: short stacking energy: -16.993
Base-Backbone interact. energy: -0.310
local terms energy: -28.905169
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -3.468
flat angles P-C4'-P energy: -2.849
tors. eta vs tors. theta energy: -0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 124
Temperature: 2.416667
Total energy: -43.652865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.652865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.652865 (E_RNA)
where:
Base-Base interactions energy: -9.464
where: short stacking energy: -9.464
Base-Backbone interact. energy: -0.557
local terms energy: -33.631929
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -7.728
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: 7.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 124
Temperature: 2.433333
Total energy: -39.000810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.000810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.000810 (E_RNA)
where:
Base-Base interactions energy: -10.582
where: short stacking energy: -9.186
Base-Backbone interact. energy: 0.577
local terms energy: -28.995875
where:
bonds (distance) C4'-P energy: -5.839
bonds (distance) P-C4' energy: -9.550
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -8.046
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: 7, replica: 3
=====================================
Write number: 124
Temperature: 2.450000
Total energy: -43.734118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.734118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.734118 (E_RNA)
where:
Base-Base interactions energy: -15.151
where: short stacking energy: -14.046
Base-Backbone interact. energy: -0.395
local terms energy: -28.187947
where:
bonds (distance) C4'-P energy: -8.102
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -6.280
flat angles P-C4'-P energy: -5.600
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: 8, replica: 4
=====================================
Write number: 124
Temperature: 2.466667
Total energy: -36.481879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.481879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.481879 (E_RNA)
where:
Base-Base interactions energy: -5.584
where: short stacking energy: -3.787
Base-Backbone interact. energy: -0.214
local terms energy: -30.683810
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -5.771
flat angles C4'-P-C4' energy: -7.320
flat angles P-C4'-P energy: -4.934
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: 9, replica: 10
=====================================
Write number: 124
Temperature: 2.483333
Total energy: -40.277350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.277350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.277350 (E_RNA)
where:
Base-Base interactions energy: -3.042
where: short stacking energy: -1.830
Base-Backbone interact. energy: -0.257
local terms energy: -36.978801
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -8.421
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: 3.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 2.500000
Total energy: -35.873343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.873343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.873343 (E_RNA)
where:
Base-Base interactions energy: -4.019
where: short stacking energy: 0.000
Base-Backbone interact. energy: 0.515
local terms energy: -32.369070
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -8.448
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: 13.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 2.350000
Total energy: -39.157780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.157780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.157780 (E_RNA)
where:
Base-Base interactions energy: -5.726
where: short stacking energy: -5.026
Base-Backbone interact. energy: -0.123
local terms energy: -33.308715
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -0.661
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: 2, replica: 5
=====================================
Write number: 125
Temperature: 2.366667
Total energy: -39.226424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.226424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.226424 (E_RNA)
where:
Base-Base interactions energy: -9.971
where: short stacking energy: -7.161
Base-Backbone interact. energy: 0.259
local terms energy: -29.513927
where:
bonds (distance) C4'-P energy: -7.338
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -5.459
flat angles P-C4'-P energy: -2.844
tors. eta vs tors. theta energy: 0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 125
Temperature: 2.383333
Total energy: -35.929198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.929198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.929198 (E_RNA)
where:
Base-Base interactions energy: -4.796
where: short stacking energy: -2.708
Base-Backbone interact. energy: -0.162
local terms energy: -30.971091
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -9.007
flat angles C4'-P-C4' energy: -6.342
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: 6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 125
Temperature: 2.400000
Total energy: -42.373284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.373284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.373284 (E_RNA)
where:
Base-Base interactions energy: -6.836
where: short stacking energy: -5.019
Base-Backbone interact. energy: -0.620
local terms energy: -34.918002
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -3.052
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: 5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 125
Temperature: 2.416667
Total energy: -36.051156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.051156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.051156 (E_RNA)
where:
Base-Base interactions energy: -4.510
where: short stacking energy: -1.865
Base-Backbone interact. energy: -0.217
local terms energy: -31.324312
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: 5.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 125
Temperature: 2.433333
Total energy: -40.653408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.653408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.653408 (E_RNA)
where:
Base-Base interactions energy: -5.431
where: short stacking energy: -3.753
Base-Backbone interact. energy: -0.365
local terms energy: -34.857632
where:
bonds (distance) C4'-P energy: -7.251
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -4.796
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: 7, replica: 6
=====================================
Write number: 125
Temperature: 2.450000
Total energy: -36.807572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.807572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.807572 (E_RNA)
where:
Base-Base interactions energy: -7.318
where: short stacking energy: -6.657
Base-Backbone interact. energy: -0.259
local terms energy: -29.230547
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: 0.344
tors. eta vs tors. theta energy: 10.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 125
Temperature: 2.466667
Total energy: -32.941141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.941141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.941141 (E_RNA)
where:
Base-Base interactions energy: -9.205
where: short stacking energy: -9.306
Base-Backbone interact. energy: 0.516
local terms energy: -24.252105
where:
bonds (distance) C4'-P energy: -9.951
bonds (distance) P-C4' energy: -7.346
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -1.125
tors. eta vs tors. theta energy: 9.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 125
Temperature: 2.483333
Total energy: -36.429753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.429753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.429753 (E_RNA)
where:
Base-Base interactions energy: -4.363
where: short stacking energy: -3.755
Base-Backbone interact. energy: -0.182
local terms energy: -31.884573
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -7.781
flat angles P-C4'-P energy: -3.584
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: 10, replica: 8
=====================================
Write number: 125
Temperature: 2.500000
Total energy: -43.738561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.738561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.738561 (E_RNA)
where:
Base-Base interactions energy: -7.122
where: short stacking energy: -5.997
Base-Backbone interact. energy: -0.096
local terms energy: -36.520664
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: 4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 126
Temperature: 2.350000
Total energy: -38.641738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.641738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.641738 (E_RNA)
where:
Base-Base interactions energy: -8.462
where: short stacking energy: -6.819
Base-Backbone interact. energy: -0.664
local terms energy: -29.515586
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -9.272
flat angles C4'-P-C4' energy: -8.901
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: 8.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 126
Temperature: 2.366667
Total energy: -41.710522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.710522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.710522 (E_RNA)
where:
Base-Base interactions energy: -3.956
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.429
local terms energy: -37.325477
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: 8.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 2.383333
Total energy: -36.438340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.438340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.438340 (E_RNA)
where:
Base-Base interactions energy: -12.495
where: short stacking energy: -10.132
Base-Backbone interact. energy: -0.404
local terms energy: -23.539276
where:
bonds (distance) C4'-P energy: -4.135
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -8.657
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: 11.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 126
Temperature: 2.400000
Total energy: -36.330055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.330055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.330055 (E_RNA)
where:
Base-Base interactions energy: -6.953
where: short stacking energy: -6.953
Base-Backbone interact. energy: -0.200
local terms energy: -29.176704
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -6.620
flat angles C4'-P-C4' energy: -9.021
flat angles P-C4'-P energy: -4.014
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: 3
=====================================
Write number: 126
Temperature: 2.416667
Total energy: -38.558668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.558668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.558668 (E_RNA)
where:
Base-Base interactions energy: -11.628
where: short stacking energy: -10.050
Base-Backbone interact. energy: 0.123
local terms energy: -27.053187
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -7.305
flat angles C4'-P-C4' energy: -9.146
flat angles P-C4'-P energy: 1.828
tors. eta vs tors. theta energy: 3.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 126
Temperature: 2.433333
Total energy: -42.807309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.807309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.807309 (E_RNA)
where:
Base-Base interactions energy: -11.758
where: short stacking energy: -11.347
Base-Backbone interact. energy: -0.188
local terms energy: -30.861228
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -9.959
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: 6.140
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: 126
Temperature: 2.450000
Total energy: -34.041433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.041433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.041433 (E_RNA)
where:
Base-Base interactions energy: -9.997
where: short stacking energy: -7.013
Base-Backbone interact. energy: 1.406
local terms energy: -25.449901
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -5.076
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: 8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 126
Temperature: 2.466667
Total energy: -37.941754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.941754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.941754 (E_RNA)
where:
Base-Base interactions energy: -8.006
where: short stacking energy: -7.666
Base-Backbone interact. energy: -0.198
local terms energy: -29.737450
where:
bonds (distance) C4'-P energy: -7.242
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -6.305
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: 9, replica: 8
=====================================
Write number: 126
Temperature: 2.483333
Total energy: -38.784003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.784003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.784003 (E_RNA)
where:
Base-Base interactions energy: -6.864
where: short stacking energy: -5.183
Base-Backbone interact. energy: -0.408
local terms energy: -31.511953
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: 7.753
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: 4
=====================================
Write number: 126
Temperature: 2.500000
Total energy: -33.744741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.744741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.744741 (E_RNA)
where:
Base-Base interactions energy: -10.065
where: short stacking energy: -7.339
Base-Backbone interact. energy: -0.508
local terms energy: -23.171941
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -8.952
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: 0.337
tors. eta vs tors. theta energy: 7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 127
Temperature: 2.350000
Total energy: -43.339540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.339540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.339540 (E_RNA)
where:
Base-Base interactions energy: -12.732
where: short stacking energy: -12.732
Base-Backbone interact. energy: -0.565
local terms energy: -30.042044
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -3.668
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: 4.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 127
Temperature: 2.366667
Total energy: -42.558262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.558262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.558262 (E_RNA)
where:
Base-Base interactions energy: -2.073
where: short stacking energy: -2.033
Base-Backbone interact. energy: 0.976
local terms energy: -41.461738
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -9.121
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: 3, replica: 9
=====================================
Write number: 127
Temperature: 2.383333
Total energy: -41.239767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.239767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.239767 (E_RNA)
where:
Base-Base interactions energy: -7.224
where: short stacking energy: -3.751
Base-Backbone interact. energy: -0.216
local terms energy: -33.800176
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -7.125
flat angles C4'-P-C4' energy: -7.829
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: 7.324
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: 3
=====================================
Write number: 127
Temperature: 2.400000
Total energy: -43.659116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.659116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.659116 (E_RNA)
where:
Base-Base interactions energy: -18.050
where: short stacking energy: -18.005
Base-Backbone interact. energy: 5.251
local terms energy: -30.860488
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -2.149
flat angles P-C4'-P energy: -2.328
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: 5, replica: 1
=====================================
Write number: 127
Temperature: 2.416667
Total energy: -36.638480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.638480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.638480 (E_RNA)
where:
Base-Base interactions energy: -8.382
where: short stacking energy: -7.371
Base-Backbone interact. energy: 0.180
local terms energy: -28.436619
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -5.055
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: 8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 127
Temperature: 2.433333
Total energy: -34.457365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.457365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.457365 (E_RNA)
where:
Base-Base interactions energy: -1.727
where: short stacking energy: 0.063
Base-Backbone interact. energy: 1.133
local terms energy: -33.863505
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -8.346
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: 10.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 127
Temperature: 2.450000
Total energy: -37.805659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.805659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.805659 (E_RNA)
where:
Base-Base interactions energy: -4.283
where: short stacking energy: -4.283
Base-Backbone interact. energy: -0.560
local terms energy: -32.962638
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -5.314
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: 7.980
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: 8
=====================================
Write number: 127
Temperature: 2.466667
Total energy: -35.151640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.151640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.151640 (E_RNA)
where:
Base-Base interactions energy: -6.090
where: short stacking energy: -4.524
Base-Backbone interact. energy: -0.273
local terms energy: -28.788555
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: 2.233
tors. eta vs tors. theta energy: 6.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 127
Temperature: 2.483333
Total energy: -35.604948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.604948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.604948 (E_RNA)
where:
Base-Base interactions energy: -10.888
where: short stacking energy: -7.717
Base-Backbone interact. energy: 0.442
local terms energy: -25.158168
where:
bonds (distance) C4'-P energy: -7.388
bonds (distance) P-C4' energy: -6.670
flat angles C4'-P-C4' energy: -8.062
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: 7.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 127
Temperature: 2.500000
Total energy: -34.264262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.264262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.264262 (E_RNA)
where:
Base-Base interactions energy: -5.627
where: short stacking energy: -3.148
Base-Backbone interact. energy: 0.688
local terms energy: -29.325806
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -2.426
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: 3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 128
Temperature: 2.350000
Total energy: -39.276854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.276854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.276854 (E_RNA)
where:
Base-Base interactions energy: -8.972
where: short stacking energy: -3.675
Base-Backbone interact. energy: -0.730
local terms energy: -29.574460
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -4.479
flat angles P-C4'-P energy: -1.293
tors. eta vs tors. theta energy: 8.330
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: 5
=====================================
Write number: 128
Temperature: 2.366667
Total energy: -38.450813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.450813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.450813 (E_RNA)
where:
Base-Base interactions energy: -2.950
where: short stacking energy: -1.660
Base-Backbone interact. energy: -0.222
local terms energy: -35.278134
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -7.188
flat angles P-C4'-P energy: -3.049
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: 3, replica: 3
=====================================
Write number: 128
Temperature: 2.383333
Total energy: -39.753728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.753728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.753728 (E_RNA)
where:
Base-Base interactions energy: -7.127
where: short stacking energy: -6.468
Base-Backbone interact. energy: 5.425
local terms energy: -38.051303
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -5.466
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: 9
=====================================
Write number: 128
Temperature: 2.400000
Total energy: -39.410813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.410813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.410813 (E_RNA)
where:
Base-Base interactions energy: -4.090
where: short stacking energy: -4.090
Base-Backbone interact. energy: 0.810
local terms energy: -36.130907
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: 7.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 128
Temperature: 2.416667
Total energy: -33.922203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.922203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.922203 (E_RNA)
where:
Base-Base interactions energy: -6.129
where: short stacking energy: -6.129
Base-Backbone interact. energy: 1.988
local terms energy: -29.781662
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -8.610
flat angles P-C4'-P energy: 3.173
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: 6, replica: 1
=====================================
Write number: 128
Temperature: 2.433333
Total energy: -40.934813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.934813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.934813 (E_RNA)
where:
Base-Base interactions energy: -5.594
where: short stacking energy: -5.594
Base-Backbone interact. energy: -0.098
local terms energy: -35.242691
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -8.195
flat angles P-C4'-P energy: -4.513
tors. eta vs tors. theta energy: 4.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 128
Temperature: 2.450000
Total energy: -40.331506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.331506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.331506 (E_RNA)
where:
Base-Base interactions energy: -12.149
where: short stacking energy: -8.889
Base-Backbone interact. energy: -0.988
local terms energy: -27.194901
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -16.158
flat angles C4'-P-C4' energy: -5.765
flat angles P-C4'-P energy: 6.755
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: 8, replica: 7
=====================================
Write number: 128
Temperature: 2.466667
Total energy: -43.095262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.095262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.095262 (E_RNA)
where:
Base-Base interactions energy: -11.423
where: short stacking energy: -8.340
Base-Backbone interact. energy: 0.807
local terms energy: -32.479347
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -5.182
flat angles P-C4'-P energy: -1.495
tors. eta vs tors. theta energy: 5.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 128
Temperature: 2.483333
Total energy: -38.173917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.173917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.173917 (E_RNA)
where:
Base-Base interactions energy: -2.721
where: short stacking energy: -2.117
Base-Backbone interact. energy: -0.181
local terms energy: -35.272129
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -6.859
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: 2.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 128
Temperature: 2.500000
Total energy: -36.717504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.717504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.717504 (E_RNA)
where:
Base-Base interactions energy: -10.579
where: short stacking energy: -10.123
Base-Backbone interact. energy: -0.211
local terms energy: -25.927650
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -7.430
flat angles P-C4'-P energy: -0.213
tors. eta vs tors. theta energy: 5.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 2.350000
Total energy: -43.902897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.902897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.902897 (E_RNA)
where:
Base-Base interactions energy: -11.343
where: short stacking energy: -6.701
Base-Backbone interact. energy: -0.728
local terms energy: -31.832511
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -1.479
tors. eta vs tors. theta energy: 2.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 129
Temperature: 2.366667
Total energy: -37.088794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.088794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.088794 (E_RNA)
where:
Base-Base interactions energy: -0.789
where: short stacking energy: -0.789
Base-Backbone interact. energy: -0.818
local terms energy: -35.482102
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -6.279
flat angles C4'-P-C4' energy: -10.625
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: 8.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 129
Temperature: 2.383333
Total energy: -38.012743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.012743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.012743 (E_RNA)
where:
Base-Base interactions energy: -8.430
where: short stacking energy: -8.430
Base-Backbone interact. energy: -0.221
local terms energy: -29.361944
where:
bonds (distance) C4'-P energy: -6.165
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -7.389
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: 6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 129
Temperature: 2.400000
Total energy: -37.531105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.531105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.531105 (E_RNA)
where:
Base-Base interactions energy: -15.379
where: short stacking energy: -12.093
Base-Backbone interact. energy: -0.209
local terms energy: -21.942754
where:
bonds (distance) C4'-P energy: -9.110
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -3.227
flat angles P-C4'-P energy: -2.425
tors. eta vs tors. theta energy: 6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 129
Temperature: 2.416667
Total energy: -40.130848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.130848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.130848 (E_RNA)
where:
Base-Base interactions energy: -5.109
where: short stacking energy: -5.109
Base-Backbone interact. energy: -0.271
local terms energy: -34.750515
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -10.941
flat angles C4'-P-C4' energy: -5.394
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: 6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 129
Temperature: 2.433333
Total energy: -41.972179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.972179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.972179 (E_RNA)
where:
Base-Base interactions energy: -10.628
where: short stacking energy: -9.823
Base-Backbone interact. energy: 1.004
local terms energy: -32.348311
where:
bonds (distance) C4'-P energy: -9.819
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -3.510
tors. eta vs tors. theta energy: 8.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 129
Temperature: 2.450000
Total energy: -34.655455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.655455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.655455 (E_RNA)
where:
Base-Base interactions energy: -7.682
where: short stacking energy: -7.152
Base-Backbone interact. energy: 0.449
local terms energy: -27.422132
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -5.862
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -6.491
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: 8, replica: 4
=====================================
Write number: 129
Temperature: 2.466667
Total energy: -34.274094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.274094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.274094 (E_RNA)
where:
Base-Base interactions energy: -4.540
where: short stacking energy: -4.105
Base-Backbone interact. energy: -0.094
local terms energy: -29.640959
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -5.132
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: 8.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 129
Temperature: 2.483333
Total energy: -33.132824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.132824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.132824 (E_RNA)
where:
Base-Base interactions energy: -7.989
where: short stacking energy: -6.210
Base-Backbone interact. energy: 0.694
local terms energy: -25.837765
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -6.251
flat angles P-C4'-P energy: 2.191
tors. eta vs tors. theta energy: 8.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 129
Temperature: 2.500000
Total energy: -40.764884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.764884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.764884 (E_RNA)
where:
Base-Base interactions energy: -9.699
where: short stacking energy: -5.353
Base-Backbone interact. energy: -0.256
local terms energy: -30.809958
where:
bonds (distance) C4'-P energy: -7.289
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: 4.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 130
Temperature: 2.350000
Total energy: -44.303469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.303469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.303469 (E_RNA)
where:
Base-Base interactions energy: -11.279
where: short stacking energy: -6.233
Base-Backbone interact. energy: -1.173
local terms energy: -31.851588
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: 6.813
tors. eta vs tors. theta energy: 5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 2.366667
Total energy: -41.793785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.793785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.793785 (E_RNA)
where:
Base-Base interactions energy: -8.767
where: short stacking energy: -8.767
Base-Backbone interact. energy: 0.935
local terms energy: -33.961846
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -8.019
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: 5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 130
Temperature: 2.383333
Total energy: -34.779958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.779958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.779958 (E_RNA)
where:
Base-Base interactions energy: -1.440
where: short stacking energy: -1.313
Base-Backbone interact. energy: -1.656
local terms energy: -31.684064
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -5.849
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: 7.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 130
Temperature: 2.400000
Total energy: -44.216230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.216230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.216230 (E_RNA)
where:
Base-Base interactions energy: -10.988
where: short stacking energy: -9.593
Base-Backbone interact. energy: 0.356
local terms energy: -33.584219
where:
bonds (distance) C4'-P energy: -5.247
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -7.199
flat angles P-C4'-P energy: -7.718
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: 5, replica: 8
=====================================
Write number: 130
Temperature: 2.416667
Total energy: -41.208910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.208910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.208910 (E_RNA)
where:
Base-Base interactions energy: -10.441
where: short stacking energy: -11.080
Base-Backbone interact. energy: -0.421
local terms energy: -30.346999
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -5.572
flat angles P-C4'-P energy: -4.150
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: 6, replica: 9
=====================================
Write number: 130
Temperature: 2.433333
Total energy: -32.964611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.964611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.964611 (E_RNA)
where:
Base-Base interactions energy: -11.079
where: short stacking energy: -10.613
Base-Backbone interact. energy: 0.417
local terms energy: -22.303303
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -1.904
flat angles C4'-P-C4' energy: -6.925
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: 5.498
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: 4
=====================================
Write number: 130
Temperature: 2.450000
Total energy: -40.940991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.940991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.940991 (E_RNA)
where:
Base-Base interactions energy: -7.229
where: short stacking energy: -6.099
Base-Backbone interact. energy: -0.695
local terms energy: -33.016831
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -9.067
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: 9.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 130
Temperature: 2.466667
Total energy: -41.247778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.247778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.247778 (E_RNA)
where:
Base-Base interactions energy: -15.348
where: short stacking energy: -9.876
Base-Backbone interact. energy: -0.151
local terms energy: -25.748348
where:
bonds (distance) C4'-P energy: -5.131
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: 2.272
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: 9, replica: 6
=====================================
Write number: 130
Temperature: 2.483333
Total energy: -39.297826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.297826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.297826 (E_RNA)
where:
Base-Base interactions energy: -6.123
where: short stacking energy: -4.079
Base-Backbone interact. energy: -0.479
local terms energy: -32.696179
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -7.662
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: 7.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 130
Temperature: 2.500000
Total energy: -37.266130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.266130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.266130 (E_RNA)
where:
Base-Base interactions energy: -10.670
where: short stacking energy: -10.179
Base-Backbone interact. energy: 2.000
local terms energy: -28.596457
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -5.457
flat angles P-C4'-P energy: -5.200
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: 1, replica: 3
=====================================
Write number: 131
Temperature: 2.350000
Total energy: -35.604186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.604186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.604186 (E_RNA)
where:
Base-Base interactions energy: -8.503
where: short stacking energy: -5.538
Base-Backbone interact. energy: -0.213
local terms energy: -26.888165
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -7.330
flat angles P-C4'-P energy: -2.964
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: 2, replica: 10
=====================================
Write number: 131
Temperature: 2.366667
Total energy: -36.835396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.835396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.835396 (E_RNA)
where:
Base-Base interactions energy: -2.263
where: short stacking energy: -1.272
Base-Backbone interact. energy: 0.590
local terms energy: -35.162715
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -6.576
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: 8.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 131
Temperature: 2.383333
Total energy: -41.948367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.948367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.948367 (E_RNA)
where:
Base-Base interactions energy: -6.792
where: short stacking energy: -6.118
Base-Backbone interact. energy: -0.365
local terms energy: -34.791786
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -1.232
tors. eta vs tors. theta energy: 12.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 131
Temperature: 2.400000
Total energy: -39.899633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.899633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.899633 (E_RNA)
where:
Base-Base interactions energy: -9.378
where: short stacking energy: -9.378
Base-Backbone interact. energy: 0.683
local terms energy: -31.204764
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -9.121
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: 7.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 131
Temperature: 2.416667
Total energy: -34.505153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.505153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.505153 (E_RNA)
where:
Base-Base interactions energy: -2.349
where: short stacking energy: -2.349
Base-Backbone interact. energy: -0.207
local terms energy: -31.948808
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -4.145
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: 4.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 131
Temperature: 2.433333
Total energy: -37.050640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.050640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.050640 (E_RNA)
where:
Base-Base interactions energy: -11.251
where: short stacking energy: -8.456
Base-Backbone interact. energy: 0.896
local terms energy: -26.695372
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -1.458
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: 10.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 131
Temperature: 2.450000
Total energy: -33.291578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.291578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.291578 (E_RNA)
where:
Base-Base interactions energy: -12.291
where: short stacking energy: -9.533
Base-Backbone interact. energy: -0.472
local terms energy: -20.528375
where:
bonds (distance) C4'-P energy: -8.958
bonds (distance) P-C4' energy: -0.899
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: 10.512
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: 6
=====================================
Write number: 131
Temperature: 2.466667
Total energy: -37.234845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.234845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.234845 (E_RNA)
where:
Base-Base interactions energy: -7.496
where: short stacking energy: -6.818
Base-Backbone interact. energy: -0.114
local terms energy: -29.625497
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: 8.016
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: 1
=====================================
Write number: 131
Temperature: 2.483333
Total energy: -36.864535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.864535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.864535 (E_RNA)
where:
Base-Base interactions energy: -5.930
where: short stacking energy: -4.232
Base-Backbone interact. energy: 0.134
local terms energy: -31.068200
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -10.314
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: 13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 2.500000
Total energy: -30.736899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.736899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.736899 (E_RNA)
where:
Base-Base interactions energy: -5.273
where: short stacking energy: -4.584
Base-Backbone interact. energy: -0.329
local terms energy: -25.135039
where:
bonds (distance) C4'-P energy: -2.847
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -5.202
flat angles P-C4'-P energy: -5.966
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: 1, replica: 10
=====================================
Write number: 132
Temperature: 2.350000
Total energy: -36.242032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.242032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.242032 (E_RNA)
where:
Base-Base interactions energy: -9.114
where: short stacking energy: -4.409
Base-Backbone interact. energy: 0.164
local terms energy: -27.292145
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -8.059
flat angles P-C4'-P energy: -1.311
tors. eta vs tors. theta energy: 8.032
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: 132
Temperature: 2.366667
Total energy: -41.150526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.150526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.150526 (E_RNA)
where:
Base-Base interactions energy: -8.838
where: short stacking energy: -8.326
Base-Backbone interact. energy: -0.967
local terms energy: -31.345506
where:
bonds (distance) C4'-P energy: -1.626
bonds (distance) P-C4' energy: -11.208
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -4.482
tors. eta vs tors. theta energy: -2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 132
Temperature: 2.383333
Total energy: -38.123654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.123654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.123654 (E_RNA)
where:
Base-Base interactions energy: -10.234
where: short stacking energy: -6.336
Base-Backbone interact. energy: -1.220
local terms energy: -26.669755
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -9.907
flat angles C4'-P-C4' energy: -10.125
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: 9.587
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: 2
=====================================
Write number: 132
Temperature: 2.400000
Total energy: -44.008589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.008589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.008589 (E_RNA)
where:
Base-Base interactions energy: -5.684
where: short stacking energy: -4.955
Base-Backbone interact. energy: -0.221
local terms energy: -38.103190
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -6.317
flat angles P-C4'-P energy: -6.433
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: 5, replica: 4
=====================================
Write number: 132
Temperature: 2.416667
Total energy: -34.753903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.753903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.753903 (E_RNA)
where:
Base-Base interactions energy: -3.576
where: short stacking energy: -3.976
Base-Backbone interact. energy: -0.105
local terms energy: -31.072582
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -8.351
flat angles P-C4'-P energy: -5.671
tors. eta vs tors. theta energy: 10.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 132
Temperature: 2.433333
Total energy: -38.041469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.041469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.041469 (E_RNA)
where:
Base-Base interactions energy: -7.452
where: short stacking energy: -7.508
Base-Backbone interact. energy: 3.083
local terms energy: -33.672825
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -7.579
flat angles P-C4'-P energy: -4.704
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: 7, replica: 6
=====================================
Write number: 132
Temperature: 2.450000
Total energy: -37.570282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.570282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.570282 (E_RNA)
where:
Base-Base interactions energy: -6.212
where: short stacking energy: -3.989
Base-Backbone interact. energy: -1.094
local terms energy: -30.264979
where:
bonds (distance) C4'-P energy: -9.376
bonds (distance) P-C4' energy: -10.059
flat angles C4'-P-C4' energy: -7.128
flat angles P-C4'-P energy: -6.049
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: 8, replica: 9
=====================================
Write number: 132
Temperature: 2.466667
Total energy: -33.076996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.076996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.076996 (E_RNA)
where:
Base-Base interactions energy: -12.358
where: short stacking energy: -8.158
Base-Backbone interact. energy: 0.500
local terms energy: -21.218627
where:
bonds (distance) C4'-P energy: -3.084
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -8.328
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: 9.594
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: 7
=====================================
Write number: 132
Temperature: 2.483333
Total energy: -35.136623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.136623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.136623 (E_RNA)
where:
Base-Base interactions energy: -6.003
where: short stacking energy: -5.934
Base-Backbone interact. energy: 1.277
local terms energy: -30.411050
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: 0.050
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: 10, replica: 1
=====================================
Write number: 132
Temperature: 2.500000
Total energy: -36.882944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.882944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.882944 (E_RNA)
where:
Base-Base interactions energy: -9.783
where: short stacking energy: -9.783
Base-Backbone interact. energy: 0.512
local terms energy: -27.611516
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -1.455
flat angles P-C4'-P energy: -4.983
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: 1, replica: 10
=====================================
Write number: 133
Temperature: 2.350000
Total energy: -34.253973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.253973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.253973 (E_RNA)
where:
Base-Base interactions energy: -5.197
where: short stacking energy: -4.541
Base-Backbone interact. energy: -0.331
local terms energy: -28.726045
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -1.715
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: 10.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 133
Temperature: 2.366667
Total energy: -43.758462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.758462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.758462 (E_RNA)
where:
Base-Base interactions energy: -12.000
where: short stacking energy: -10.389
Base-Backbone interact. energy: -0.280
local terms energy: -31.477967
where:
bonds (distance) C4'-P energy: -8.564
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -3.447
tors. eta vs tors. theta energy: 7.348
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: 3, replica: 3
=====================================
Write number: 133
Temperature: 2.383333
Total energy: -42.021007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.021007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.021007 (E_RNA)
where:
Base-Base interactions energy: -8.736
where: short stacking energy: -8.530
Base-Backbone interact. energy: 3.301
local terms energy: -36.585166
where:
bonds (distance) C4'-P energy: -8.272
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -10.769
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: 2.381
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: 4
=====================================
Write number: 133
Temperature: 2.400000
Total energy: -38.857588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.857588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.857588 (E_RNA)
where:
Base-Base interactions energy: -9.456
where: short stacking energy: -9.456
Base-Backbone interact. energy: 0.044
local terms energy: -29.446401
where:
bonds (distance) C4'-P energy: -1.303
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -2.684
tors. eta vs tors. theta energy: 2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 133
Temperature: 2.416667
Total energy: -32.831761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.831761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.831761 (E_RNA)
where:
Base-Base interactions energy: -8.113
where: short stacking energy: -9.748
Base-Backbone interact. energy: 1.405
local terms energy: -26.123414
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: 2.942
flat angles P-C4'-P energy: -8.830
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: 6, replica: 6
=====================================
Write number: 133
Temperature: 2.433333
Total energy: -35.775500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.775500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.775500 (E_RNA)
where:
Base-Base interactions energy: -11.399
where: short stacking energy: -11.357
Base-Backbone interact. energy: 2.161
local terms energy: -26.538015
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -6.033
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: 5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 133
Temperature: 2.450000
Total energy: -35.412209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.412209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.412209 (E_RNA)
where:
Base-Base interactions energy: -7.001
where: short stacking energy: -6.925
Base-Backbone interact. energy: 0.266
local terms energy: -28.677524
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -0.262
flat angles P-C4'-P energy: -3.086
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: 8, replica: 7
=====================================
Write number: 133
Temperature: 2.466667
Total energy: -41.586466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.586466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.586466 (E_RNA)
where:
Base-Base interactions energy: -5.753
where: short stacking energy: -4.784
Base-Backbone interact. energy: 5.254
local terms energy: -41.087539
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: 8.875
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: 9
=====================================
Write number: 133
Temperature: 2.483333
Total energy: -35.195188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.195188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.195188 (E_RNA)
where:
Base-Base interactions energy: -7.300
where: short stacking energy: -7.300
Base-Backbone interact. energy: 0.630
local terms energy: -28.525836
where:
bonds (distance) C4'-P energy: -9.344
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -6.520
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: 6.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 133
Temperature: 2.500000
Total energy: -33.584812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.584812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.584812 (E_RNA)
where:
Base-Base interactions energy: -15.915
where: short stacking energy: -12.705
Base-Backbone interact. energy: -0.160
local terms energy: -17.509406
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -3.505
flat angles C4'-P-C4' energy: -7.440
flat angles P-C4'-P energy: 1.912
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: 1, replica: 8
=====================================
Write number: 134
Temperature: 2.350000
Total energy: -40.131818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.131818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.131818 (E_RNA)
where:
Base-Base interactions energy: -11.334
where: short stacking energy: -8.755
Base-Backbone interact. energy: 0.097
local terms energy: -28.894609
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -5.115
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: 9.064
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: 10
=====================================
Write number: 134
Temperature: 2.366667
Total energy: -41.951778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.951778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.951778 (E_RNA)
where:
Base-Base interactions energy: -5.927
where: short stacking energy: -5.927
Base-Backbone interact. energy: 0.125
local terms energy: -36.149132
where:
bonds (distance) C4'-P energy: -6.874
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -7.647
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: 4
=====================================
Write number: 134
Temperature: 2.383333
Total energy: -47.164165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.164165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.164165 (E_RNA)
where:
Base-Base interactions energy: -12.418
where: short stacking energy: -11.720
Base-Backbone interact. energy: -0.384
local terms energy: -34.361792
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -3.600
tors. eta vs tors. theta energy: 6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 2.400000
Total energy: -38.203062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.203062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.203062 (E_RNA)
where:
Base-Base interactions energy: -9.673
where: short stacking energy: -9.673
Base-Backbone interact. energy: -0.539
local terms energy: -27.991542
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -5.746
flat angles P-C4'-P energy: -1.886
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: 6
=====================================
Write number: 134
Temperature: 2.416667
Total energy: -38.341150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.341150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.341150 (E_RNA)
where:
Base-Base interactions energy: -5.647
where: short stacking energy: -5.012
Base-Backbone interact. energy: -0.677
local terms energy: -32.017030
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -1.824
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: 9.101
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: 2
=====================================
Write number: 134
Temperature: 2.433333
Total energy: -36.389492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.389492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.389492 (E_RNA)
where:
Base-Base interactions energy: -8.868
where: short stacking energy: -7.288
Base-Backbone interact. energy: -0.189
local terms energy: -27.332819
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: 14.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 134
Temperature: 2.450000
Total energy: -32.889018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.889018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.889018 (E_RNA)
where:
Base-Base interactions energy: -5.905
where: short stacking energy: -3.879
Base-Backbone interact. energy: -0.613
local terms energy: -26.371050
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -5.374
flat angles P-C4'-P energy: -2.898
tors. eta vs tors. theta energy: 8.804
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: 5
=====================================
Write number: 134
Temperature: 2.466667
Total energy: -39.381180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.381180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.381180 (E_RNA)
where:
Base-Base interactions energy: -14.437
where: short stacking energy: -11.627
Base-Backbone interact. energy: -0.494
local terms energy: -24.449854
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -8.663
flat angles P-C4'-P energy: -0.738
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: 9, replica: 1
=====================================
Write number: 134
Temperature: 2.483333
Total energy: -43.868673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.868673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.868673 (E_RNA)
where:
Base-Base interactions energy: -9.713
where: short stacking energy: -5.219
Base-Backbone interact. energy: -0.682
local terms energy: -33.473427
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: 14.283
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: 9
=====================================
Write number: 134
Temperature: 2.500000
Total energy: -29.979875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.979875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.979875 (E_RNA)
where:
Base-Base interactions energy: -6.154
where: short stacking energy: -2.545
Base-Backbone interact. energy: 0.902
local terms energy: -24.728102
where:
bonds (distance) C4'-P energy: -6.552
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -3.169
tors. eta vs tors. theta energy: 8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 135
Temperature: 2.350000
Total energy: -37.029819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.029819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.029819 (E_RNA)
where:
Base-Base interactions energy: -8.163
where: short stacking energy: -5.370
Base-Backbone interact. energy: 2.411
local terms energy: -31.278139
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -0.777
tors. eta vs tors. theta energy: 8.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 135
Temperature: 2.366667
Total energy: -51.310896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.310896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.310896 (E_RNA)
where:
Base-Base interactions energy: -13.916
where: short stacking energy: -13.916
Base-Backbone interact. energy: -0.256
local terms energy: -37.139531
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -6.323
flat angles P-C4'-P energy: -2.895
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: 3, replica: 4
=====================================
Write number: 135
Temperature: 2.383333
Total energy: -38.327778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.327778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.327778 (E_RNA)
where:
Base-Base interactions energy: -3.757
where: short stacking energy: -3.757
Base-Backbone interact. energy: -0.417
local terms energy: -34.154597
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -1.896
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: 4.101
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: 6
=====================================
Write number: 135
Temperature: 2.400000
Total energy: -37.379976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.379976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.379976 (E_RNA)
where:
Base-Base interactions energy: -6.401
where: short stacking energy: -1.534
Base-Backbone interact. energy: -0.288
local terms energy: -30.691364
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: 8.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 135
Temperature: 2.416667
Total energy: -38.016785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.016785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.016785 (E_RNA)
where:
Base-Base interactions energy: -5.753
where: short stacking energy: -5.509
Base-Backbone interact. energy: -0.181
local terms energy: -32.082906
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -8.265
flat angles P-C4'-P energy: 0.494
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: 6, replica: 7
=====================================
Write number: 135
Temperature: 2.433333
Total energy: -35.307357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.307357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.307357 (E_RNA)
where:
Base-Base interactions energy: -5.416
where: short stacking energy: -0.762
Base-Backbone interact. energy: -0.685
local terms energy: -29.205585
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -2.693
tors. eta vs tors. theta energy: 8.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 135
Temperature: 2.450000
Total energy: -37.952956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.952956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.952956 (E_RNA)
where:
Base-Base interactions energy: -10.388
where: short stacking energy: -8.659
Base-Backbone interact. energy: 1.766
local terms energy: -29.331375
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: 0.080
tors. eta vs tors. theta energy: 9.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 2.466667
Total energy: -39.359804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.359804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.359804 (E_RNA)
where:
Base-Base interactions energy: -1.568
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.531
local terms energy: -37.260300
where:
bonds (distance) C4'-P energy: -5.240
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: 8.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 135
Temperature: 2.483333
Total energy: -37.415510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.415510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.415510 (E_RNA)
where:
Base-Base interactions energy: -9.480
where: short stacking energy: -9.480
Base-Backbone interact. energy: -0.239
local terms energy: -27.696790
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -9.340
flat angles C4'-P-C4' energy: -3.958
flat angles P-C4'-P energy: -6.262
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: 10, replica: 9
=====================================
Write number: 135
Temperature: 2.500000
Total energy: -37.737993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.737993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.737993 (E_RNA)
where:
Base-Base interactions energy: -3.948
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.979
local terms energy: -32.811457
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -6.580
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: 4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 136
Temperature: 2.350000
Total energy: -36.488812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.488812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.488812 (E_RNA)
where:
Base-Base interactions energy: -11.662
where: short stacking energy: -10.346
Base-Backbone interact. energy: 2.071
local terms energy: -26.897956
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -2.862
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: 6.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 2.366667
Total energy: -34.508719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.508719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.508719 (E_RNA)
where:
Base-Base interactions energy: -5.421
where: short stacking energy: -3.266
Base-Backbone interact. energy: -0.232
local terms energy: -28.856342
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -6.722
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: 10.120
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: 4
=====================================
Write number: 136
Temperature: 2.383333
Total energy: -42.336014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.336014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.336014 (E_RNA)
where:
Base-Base interactions energy: -6.161
where: short stacking energy: -4.544
Base-Backbone interact. energy: 0.389
local terms energy: -36.563684
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: 0.307
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: 4, replica: 6
=====================================
Write number: 136
Temperature: 2.400000
Total energy: -35.292453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.292453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.292453 (E_RNA)
where:
Base-Base interactions energy: -10.070
where: short stacking energy: -9.921
Base-Backbone interact. energy: -0.368
local terms energy: -24.854866
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -4.985
flat angles P-C4'-P energy: 2.912
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: 5, replica: 7
=====================================
Write number: 136
Temperature: 2.416667
Total energy: -39.029740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.029740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.029740 (E_RNA)
where:
Base-Base interactions energy: -4.989
where: short stacking energy: -3.032
Base-Backbone interact. energy: -0.156
local terms energy: -33.884902
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -0.706
tors. eta vs tors. theta energy: 7.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 136
Temperature: 2.433333
Total energy: -33.114243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.114243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.114243 (E_RNA)
where:
Base-Base interactions energy: -1.957
where: short stacking energy: -3.654
Base-Backbone interact. energy: 0.355
local terms energy: -31.512668
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -4.937
flat angles P-C4'-P energy: -3.002
tors. eta vs tors. theta energy: 3.498
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: 1
=====================================
Write number: 136
Temperature: 2.450000
Total energy: -37.819060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.819060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.819060 (E_RNA)
where:
Base-Base interactions energy: -9.728
where: short stacking energy: -9.728
Base-Backbone interact. energy: 0.261
local terms energy: -28.352049
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -10.120
flat angles C4'-P-C4' energy: -3.616
flat angles P-C4'-P energy: -10.964
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: 8, replica: 2
=====================================
Write number: 136
Temperature: 2.466667
Total energy: -32.121527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.121527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.121527 (E_RNA)
where:
Base-Base interactions energy: -8.185
where: short stacking energy: -7.046
Base-Backbone interact. energy: -0.268
local terms energy: -23.669045
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -10.607
flat angles P-C4'-P energy: -1.966
tors. eta vs tors. theta energy: 6.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 136
Temperature: 2.483333
Total energy: -32.469292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.469292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.469292 (E_RNA)
where:
Base-Base interactions energy: 0.100
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.212
local terms energy: -32.357738
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: 10.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 136
Temperature: 2.500000
Total energy: -37.042700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.042700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.042700 (E_RNA)
where:
Base-Base interactions energy: 4.086
where: short stacking energy: 3.649
Base-Backbone interact. energy: -0.185
local terms energy: -40.943789
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -8.755
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -6.918
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: 1, replica: 10
=====================================
Write number: 137
Temperature: 2.350000
Total energy: -43.785059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.785059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.785059 (E_RNA)
where:
Base-Base interactions energy: -5.384
where: short stacking energy: -5.332
Base-Backbone interact. energy: -0.082
local terms energy: -38.319020
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -8.538
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: 9.784
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: 4
=====================================
Write number: 137
Temperature: 2.366667
Total energy: -35.273242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.273242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.273242 (E_RNA)
where:
Base-Base interactions energy: -9.974
where: short stacking energy: -7.630
Base-Backbone interact. energy: -0.882
local terms energy: -24.417612
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -4.848
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: 13.211
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: 8
=====================================
Write number: 137
Temperature: 2.383333
Total energy: -39.904351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.904351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.904351 (E_RNA)
where:
Base-Base interactions energy: -8.120
where: short stacking energy: -6.791
Base-Backbone interact. energy: -0.170
local terms energy: -31.614493
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -6.335
flat angles P-C4'-P energy: -2.548
tors. eta vs tors. theta energy: 7.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 137
Temperature: 2.400000
Total energy: -35.798455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.798455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.798455 (E_RNA)
where:
Base-Base interactions energy: -2.174
where: short stacking energy: -0.891
Base-Backbone interact. energy: 1.401
local terms energy: -35.025423
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: 9.372
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: 6
=====================================
Write number: 137
Temperature: 2.416667
Total energy: -34.336458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.336458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.336458 (E_RNA)
where:
Base-Base interactions energy: -6.553
where: short stacking energy: -3.521
Base-Backbone interact. energy: 0.250
local terms energy: -28.033249
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -1.815
flat angles P-C4'-P energy: -4.236
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: 6, replica: 1
=====================================
Write number: 137
Temperature: 2.433333
Total energy: -36.398480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.398480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.398480 (E_RNA)
where:
Base-Base interactions energy: -2.397
where: short stacking energy: -1.549
Base-Backbone interact. energy: 0.222
local terms energy: -34.223456
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -9.100
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: 10.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 137
Temperature: 2.450000
Total energy: -41.879544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.879544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.879544 (E_RNA)
where:
Base-Base interactions energy: -11.382
where: short stacking energy: -9.337
Base-Backbone interact. energy: -0.610
local terms energy: -29.887011
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -4.771
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: 9.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 2.466667
Total energy: -38.035181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.035181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.035181 (E_RNA)
where:
Base-Base interactions energy: -10.854
where: short stacking energy: -8.269
Base-Backbone interact. energy: 1.143
local terms energy: -28.324267
where:
bonds (distance) C4'-P energy: -4.309
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -10.367
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: 6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 137
Temperature: 2.483333
Total energy: -31.611565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.611565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.611565 (E_RNA)
where:
Base-Base interactions energy: -2.212
where: short stacking energy: -0.403
Base-Backbone interact. energy: 1.679
local terms energy: -31.078346
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -3.479
tors. eta vs tors. theta energy: 10.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 2.500000
Total energy: -38.157082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.157082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.157082 (E_RNA)
where:
Base-Base interactions energy: -6.487
where: short stacking energy: -6.162
Base-Backbone interact. energy: -0.695
local terms energy: -30.974660
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -2.711
tors. eta vs tors. theta energy: 11.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 138
Temperature: 2.350000
Total energy: -40.243533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.243533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.243533 (E_RNA)
where:
Base-Base interactions energy: -14.376
where: short stacking energy: -11.399
Base-Backbone interact. energy: -0.305
local terms energy: -25.563386
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -8.165
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -0.900
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: 2, replica: 10
=====================================
Write number: 138
Temperature: 2.366667
Total energy: -41.318735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.318735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.318735 (E_RNA)
where:
Base-Base interactions energy: -2.744
where: short stacking energy: -2.744
Base-Backbone interact. energy: 0.832
local terms energy: -39.406691
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -5.460
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: 3, replica: 7
=====================================
Write number: 138
Temperature: 2.383333
Total energy: -40.457800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.457800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.457800 (E_RNA)
where:
Base-Base interactions energy: -7.354
where: short stacking energy: -7.354
Base-Backbone interact. energy: -0.199
local terms energy: -32.904512
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -8.022
flat angles P-C4'-P energy: -3.344
tors. eta vs tors. theta energy: 4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 138
Temperature: 2.400000
Total energy: -41.272446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.272446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.272446 (E_RNA)
where:
Base-Base interactions energy: -6.369
where: short stacking energy: -6.369
Base-Backbone interact. energy: 0.967
local terms energy: -35.869674
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -9.098
flat angles P-C4'-P energy: -6.224
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: 1
=====================================
Write number: 138
Temperature: 2.416667
Total energy: -39.287918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.287918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.287918 (E_RNA)
where:
Base-Base interactions energy: -7.374
where: short stacking energy: -7.374
Base-Backbone interact. energy: 1.537
local terms energy: -33.450940
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -5.982
flat angles P-C4'-P energy: -4.525
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: 6, replica: 6
=====================================
Write number: 138
Temperature: 2.433333
Total energy: -35.051371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.051371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.051371 (E_RNA)
where:
Base-Base interactions energy: -6.220
where: short stacking energy: -1.867
Base-Backbone interact. energy: -0.729
local terms energy: -28.102648
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -5.789
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: 8.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 138
Temperature: 2.450000
Total energy: -35.944468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.944468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.944468 (E_RNA)
where:
Base-Base interactions energy: -11.461
where: short stacking energy: -9.736
Base-Backbone interact. energy: -0.193
local terms energy: -24.291245
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -7.190
flat angles C4'-P-C4' energy: -9.619
flat angles P-C4'-P energy: -1.839
tors. eta vs tors. theta energy: 6.364
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: 3
=====================================
Write number: 138
Temperature: 2.466667
Total energy: -39.280750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.280750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.280750 (E_RNA)
where:
Base-Base interactions energy: -7.149
where: short stacking energy: -2.993
Base-Backbone interact. energy: -0.671
local terms energy: -31.460610
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -7.645
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: 11.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 138
Temperature: 2.483333
Total energy: -33.198180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.198180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.198180 (E_RNA)
where:
Base-Base interactions energy: -7.738
where: short stacking energy: -8.849
Base-Backbone interact. energy: -0.152
local terms energy: -25.307891
where:
bonds (distance) C4'-P energy: -7.020
bonds (distance) P-C4' energy: -8.854
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -3.462
tors. eta vs tors. theta energy: 4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 138
Temperature: 2.500000
Total energy: -30.748055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.748055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.748055 (E_RNA)
where:
Base-Base interactions energy: -7.804
where: short stacking energy: 0.200
Base-Backbone interact. energy: -0.013
local terms energy: -22.930993
where:
bonds (distance) C4'-P energy: -7.239
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -4.989
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: 10.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 139
Temperature: 2.350000
Total energy: -37.631065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.631065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.631065 (E_RNA)
where:
Base-Base interactions energy: -4.381
where: short stacking energy: -1.061
Base-Backbone interact. energy: -0.537
local terms energy: -32.712818
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -5.345
flat angles P-C4'-P energy: -1.360
tors. eta vs tors. theta energy: 6.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 139
Temperature: 2.366667
Total energy: -40.942334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.942334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.942334 (E_RNA)
where:
Base-Base interactions energy: -8.258
where: short stacking energy: -2.909
Base-Backbone interact. energy: 3.526
local terms energy: -36.210300
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: 9.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 139
Temperature: 2.383333
Total energy: -40.859060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.859060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.859060 (E_RNA)
where:
Base-Base interactions energy: -8.055
where: short stacking energy: -6.693
Base-Backbone interact. energy: -0.268
local terms energy: -32.535076
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -9.164
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: 8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 139
Temperature: 2.400000
Total energy: -35.102074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.102074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.102074 (E_RNA)
where:
Base-Base interactions energy: -4.997
where: short stacking energy: -3.676
Base-Backbone interact. energy: -0.246
local terms energy: -29.858961
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -0.928
tors. eta vs tors. theta energy: 9.215
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: 139
Temperature: 2.416667
Total energy: -34.537946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.537946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.537946 (E_RNA)
where:
Base-Base interactions energy: -9.244
where: short stacking energy: -9.244
Base-Backbone interact. energy: -0.193
local terms energy: -25.101410
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -5.156
flat angles C4'-P-C4' energy: -7.989
flat angles P-C4'-P energy: -1.453
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: 6, replica: 9
=====================================
Write number: 139
Temperature: 2.433333
Total energy: -34.232640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.232640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.232640 (E_RNA)
where:
Base-Base interactions energy: -6.334
where: short stacking energy: -5.912
Base-Backbone interact. energy: 2.251
local terms energy: -30.149876
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -8.492
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: 10.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 139
Temperature: 2.450000
Total energy: -42.592982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.592982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.592982 (E_RNA)
where:
Base-Base interactions energy: -8.656
where: short stacking energy: -8.327
Base-Backbone interact. energy: -0.495
local terms energy: -33.442144
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -9.325
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: 8.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 139
Temperature: 2.466667
Total energy: -39.383185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.383185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.383185 (E_RNA)
where:
Base-Base interactions energy: -4.848
where: short stacking energy: -2.539
Base-Backbone interact. energy: 0.505
local terms energy: -35.040487
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: 10.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 139
Temperature: 2.483333
Total energy: -37.575999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.575999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.575999 (E_RNA)
where:
Base-Base interactions energy: -6.278
where: short stacking energy: -6.073
Base-Backbone interact. energy: -0.188
local terms energy: -31.110192
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -1.220
tors. eta vs tors. theta energy: 8.169
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: 2
=====================================
Write number: 139
Temperature: 2.500000
Total energy: -34.821487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.821487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.821487 (E_RNA)
where:
Base-Base interactions energy: -12.817
where: short stacking energy: -7.143
Base-Backbone interact. energy: -0.364
local terms energy: -21.640669
where:
bonds (distance) C4'-P energy: -8.366
bonds (distance) P-C4' energy: -10.730
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -1.323
tors. eta vs tors. theta energy: 12.167
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: 1, replica: 7
=====================================
Write number: 140
Temperature: 2.350000
Total energy: -37.754446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.754446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.754446 (E_RNA)
where:
Base-Base interactions energy: -0.035
where: short stacking energy: 0.345
Base-Backbone interact. energy: 4.074
local terms energy: -41.793663
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: 6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 140
Temperature: 2.366667
Total energy: -42.869681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.869681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.869681 (E_RNA)
where:
Base-Base interactions energy: -4.848
where: short stacking energy: -4.848
Base-Backbone interact. energy: -0.146
local terms energy: -37.875381
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -9.034
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: 7.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 140
Temperature: 2.383333
Total energy: -36.561006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.561006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.561006 (E_RNA)
where:
Base-Base interactions energy: -4.251
where: short stacking energy: -2.916
Base-Backbone interact. energy: -0.295
local terms energy: -32.014834
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -1.822
tors. eta vs tors. theta energy: 6.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 140
Temperature: 2.400000
Total energy: -37.270076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.270076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.270076 (E_RNA)
where:
Base-Base interactions energy: -4.619
where: short stacking energy: -1.823
Base-Backbone interact. energy: -0.549
local terms energy: -32.102169
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -9.908
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -5.012
tors. eta vs tors. theta energy: 8.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 140
Temperature: 2.416667
Total energy: -35.437350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.437350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.437350 (E_RNA)
where:
Base-Base interactions energy: -1.987
where: short stacking energy: -1.987
Base-Backbone interact. energy: -0.291
local terms energy: -33.159600
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -8.660
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: 6.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 140
Temperature: 2.433333
Total energy: -37.849840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.849840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.849840 (E_RNA)
where:
Base-Base interactions energy: -11.886
where: short stacking energy: -8.067
Base-Backbone interact. energy: 1.241
local terms energy: -27.205012
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -2.639
flat angles P-C4'-P energy: -2.551
tors. eta vs tors. theta energy: 0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 140
Temperature: 2.450000
Total energy: -37.552401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.552401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.552401 (E_RNA)
where:
Base-Base interactions energy: -10.833
where: short stacking energy: -10.561
Base-Backbone interact. energy: -0.106
local terms energy: -26.613207
where:
bonds (distance) C4'-P energy: -6.903
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -8.244
flat angles P-C4'-P energy: -2.040
tors. eta vs tors. theta energy: 4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 140
Temperature: 2.466667
Total energy: -34.100360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.100360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.100360 (E_RNA)
where:
Base-Base interactions energy: -7.883
where: short stacking energy: -8.383
Base-Backbone interact. energy: 1.830
local terms energy: -28.046765
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -9.568
flat angles C4'-P-C4' energy: -4.977
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: 9.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 140
Temperature: 2.483333
Total energy: -44.330982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.330982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.330982 (E_RNA)
where:
Base-Base interactions energy: -8.733
where: short stacking energy: -4.616
Base-Backbone interact. energy: 1.710
local terms energy: -37.308217
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: 6.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 140
Temperature: 2.500000
Total energy: -33.559807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.559807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.559807 (E_RNA)
where:
Base-Base interactions energy: -6.210
where: short stacking energy: -6.185
Base-Backbone interact. energy: 1.489
local terms energy: -28.839224
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -3.930
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: 1, replica: 7
=====================================
Write number: 141
Temperature: 2.350000
Total energy: -42.013582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.013582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.013582 (E_RNA)
where:
Base-Base interactions energy: -8.689
where: short stacking energy: -7.420
Base-Backbone interact. energy: 4.146
local terms energy: -37.470590
where:
bonds (distance) C4'-P energy: -9.467
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: 1.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 141
Temperature: 2.366667
Total energy: -41.535907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.535907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.535907 (E_RNA)
where:
Base-Base interactions energy: -7.312
where: short stacking energy: -5.614
Base-Backbone interact. energy: -0.162
local terms energy: -34.061969
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -7.399
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: 5.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 141
Temperature: 2.383333
Total energy: -38.536615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.536615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.536615 (E_RNA)
where:
Base-Base interactions energy: -5.521
where: short stacking energy: -3.693
Base-Backbone interact. energy: -0.367
local terms energy: -32.648640
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -5.231
flat angles P-C4'-P energy: -6.957
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: 4, replica: 9
=====================================
Write number: 141
Temperature: 2.400000
Total energy: -42.025429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.025429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.025429 (E_RNA)
where:
Base-Base interactions energy: -11.742
where: short stacking energy: -11.467
Base-Backbone interact. energy: -0.102
local terms energy: -30.181586
where:
bonds (distance) C4'-P energy: -4.158
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: 6.430
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: 10
=====================================
Write number: 141
Temperature: 2.416667
Total energy: -38.058966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.058966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.058966 (E_RNA)
where:
Base-Base interactions energy: -13.447
where: short stacking energy: -9.864
Base-Backbone interact. energy: -0.161
local terms energy: -24.450968
where:
bonds (distance) C4'-P energy: -2.051
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -4.805
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: 7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 141
Temperature: 2.433333
Total energy: -34.024498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.024498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.024498 (E_RNA)
where:
Base-Base interactions energy: -7.245
where: short stacking energy: -9.379
Base-Backbone interact. energy: 3.652
local terms energy: -30.431653
where:
bonds (distance) C4'-P energy: -6.862
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -8.115
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: 6.577
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: 7, replica: 8
=====================================
Write number: 141
Temperature: 2.450000
Total energy: -41.316500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.316500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.316500 (E_RNA)
where:
Base-Base interactions energy: -10.809
where: short stacking energy: -8.735
Base-Backbone interact. energy: -0.632
local terms energy: -29.875490
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -8.685
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: 8.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 141
Temperature: 2.466667
Total energy: -38.405833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.405833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.405833 (E_RNA)
where:
Base-Base interactions energy: -11.717
where: short stacking energy: -12.517
Base-Backbone interact. energy: 0.005
local terms energy: -26.693538
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -2.015
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: 3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 141
Temperature: 2.483333
Total energy: -32.807576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.807576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.807576 (E_RNA)
where:
Base-Base interactions energy: -6.432
where: short stacking energy: -5.674
Base-Backbone interact. energy: -0.271
local terms energy: -26.104551
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -0.120
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: 8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 141
Temperature: 2.500000
Total energy: -40.046414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.046414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.046414 (E_RNA)
where:
Base-Base interactions energy: -10.558
where: short stacking energy: -8.348
Base-Backbone interact. energy: 1.559
local terms energy: -31.046934
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: 3.220
tors. eta vs tors. theta energy: 12.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 142
Temperature: 2.350000
Total energy: -40.466709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.466709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.466709 (E_RNA)
where:
Base-Base interactions energy: -6.512
where: short stacking energy: -6.512
Base-Backbone interact. energy: -0.149
local terms energy: -33.806155
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -6.224
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: 2, replica: 7
=====================================
Write number: 142
Temperature: 2.366667
Total energy: -42.652449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.652449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.652449 (E_RNA)
where:
Base-Base interactions energy: -7.009
where: short stacking energy: -7.009
Base-Backbone interact. energy: 0.443
local terms energy: -36.086601
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -8.061
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -7.514
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: 3, replica: 9
=====================================
Write number: 142
Temperature: 2.383333
Total energy: -36.871087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.871087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.871087 (E_RNA)
where:
Base-Base interactions energy: -8.948
where: short stacking energy: -7.427
Base-Backbone interact. energy: -0.206
local terms energy: -27.717124
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -4.625
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: 4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 142
Temperature: 2.400000
Total energy: -39.097907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.097907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.097907 (E_RNA)
where:
Base-Base interactions energy: -11.305
where: short stacking energy: -11.305
Base-Backbone interact. energy: -0.337
local terms energy: -27.456087
where:
bonds (distance) C4'-P energy: -0.061
bonds (distance) P-C4' energy: -4.365
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 142
Temperature: 2.416667
Total energy: -42.211809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.211809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.211809 (E_RNA)
where:
Base-Base interactions energy: -7.632
where: short stacking energy: -6.171
Base-Backbone interact. energy: -0.424
local terms energy: -34.156519
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -2.481
tors. eta vs tors. theta energy: 9.702
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: 10
=====================================
Write number: 142
Temperature: 2.433333
Total energy: -38.128056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.128056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.128056 (E_RNA)
where:
Base-Base interactions energy: -2.687
where: short stacking energy: -2.687
Base-Backbone interact. energy: -0.047
local terms energy: -35.393971
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: 8.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 142
Temperature: 2.450000
Total energy: -38.967867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.967867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.967867 (E_RNA)
where:
Base-Base interactions energy: -8.481
where: short stacking energy: -8.722
Base-Backbone interact. energy: -0.162
local terms energy: -30.324257
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -4.271
flat angles P-C4'-P energy: -0.645
tors. eta vs tors. theta energy: 4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 142
Temperature: 2.466667
Total energy: -38.747954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.747954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.747954 (E_RNA)
where:
Base-Base interactions energy: -6.852
where: short stacking energy: -6.852
Base-Backbone interact. energy: -0.022
local terms energy: -31.874512
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -8.814
flat angles P-C4'-P energy: 1.252
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: 9, replica: 3
=====================================
Write number: 142
Temperature: 2.483333
Total energy: -46.915200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.915200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.915200 (E_RNA)
where:
Base-Base interactions energy: -11.852
where: short stacking energy: -9.627
Base-Backbone interact. energy: -0.087
local terms energy: -34.975754
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -6.607
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: 4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 2.500000
Total energy: -37.526679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.526679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.526679 (E_RNA)
where:
Base-Base interactions energy: -8.595
where: short stacking energy: -6.612
Base-Backbone interact. energy: -0.286
local terms energy: -28.645012
where:
bonds (distance) C4'-P energy: -7.893
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -5.400
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: 6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 2.350000
Total energy: -38.079343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.079343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.079343 (E_RNA)
where:
Base-Base interactions energy: -9.487
where: short stacking energy: -7.955
Base-Backbone interact. energy: -0.331
local terms energy: -28.261290
where:
bonds (distance) C4'-P energy: -6.643
bonds (distance) P-C4' energy: -10.259
flat angles C4'-P-C4' energy: -8.493
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: 7.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 143
Temperature: 2.366667
Total energy: -36.214489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.214489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.214489 (E_RNA)
where:
Base-Base interactions energy: -10.189
where: short stacking energy: -9.347
Base-Backbone interact. energy: 0.696
local terms energy: -26.721575
where:
bonds (distance) C4'-P energy: -6.863
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -3.656
tors. eta vs tors. theta energy: 10.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 143
Temperature: 2.383333
Total energy: -42.332007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.332007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.332007 (E_RNA)
where:
Base-Base interactions energy: -5.534
where: short stacking energy: -5.534
Base-Backbone interact. energy: -0.289
local terms energy: -36.508615
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -8.995
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -6.255
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: 4, replica: 5
=====================================
Write number: 143
Temperature: 2.400000
Total energy: -34.741532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.741532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.741532 (E_RNA)
where:
Base-Base interactions energy: -4.931
where: short stacking energy: -4.844
Base-Backbone interact. energy: -0.276
local terms energy: -29.534942
where:
bonds (distance) C4'-P energy: -6.920
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -8.891
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: 6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 143
Temperature: 2.416667
Total energy: -38.390569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.390569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.390569 (E_RNA)
where:
Base-Base interactions energy: -4.246
where: short stacking energy: -1.997
Base-Backbone interact. energy: 1.177
local terms energy: -35.321604
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -8.924
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: 6, replica: 2
=====================================
Write number: 143
Temperature: 2.433333
Total energy: -32.735095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.735095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.735095 (E_RNA)
where:
Base-Base interactions energy: -7.556
where: short stacking energy: -7.556
Base-Backbone interact. energy: 0.454
local terms energy: -25.633926
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -8.286
flat angles P-C4'-P energy: 5.157
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: 10
=====================================
Write number: 143
Temperature: 2.450000
Total energy: -41.055641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.055641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.055641 (E_RNA)
where:
Base-Base interactions energy: -16.288
where: short stacking energy: -16.288
Base-Backbone interact. energy: -0.227
local terms energy: -24.541369
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -7.046
flat angles P-C4'-P energy: 4.362
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: 8, replica: 3
=====================================
Write number: 143
Temperature: 2.466667
Total energy: -35.252990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.252990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.252990 (E_RNA)
where:
Base-Base interactions energy: -9.055
where: short stacking energy: -7.894
Base-Backbone interact. energy: 1.973
local terms energy: -28.171384
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -3.381
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: 5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 2.483333
Total energy: -38.808181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.808181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.808181 (E_RNA)
where:
Base-Base interactions energy: -7.288
where: short stacking energy: -5.132
Base-Backbone interact. energy: 3.432
local terms energy: -34.952422
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -0.437
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: 5.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 2.500000
Total energy: -35.376267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.376267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.376267 (E_RNA)
where:
Base-Base interactions energy: -2.384
where: short stacking energy: -1.613
Base-Backbone interact. energy: -0.178
local terms energy: -32.814713
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -7.699
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: 11.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 2.350000
Total energy: -40.185463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.185463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.185463 (E_RNA)
where:
Base-Base interactions energy: -4.663
where: short stacking energy: -3.887
Base-Backbone interact. energy: -0.777
local terms energy: -34.745100
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -6.352
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: 2, replica: 1
=====================================
Write number: 144
Temperature: 2.366667
Total energy: -38.003130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.003130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.003130 (E_RNA)
where:
Base-Base interactions energy: -10.963
where: short stacking energy: -8.501
Base-Backbone interact. energy: -0.322
local terms energy: -26.718089
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -9.697
flat angles C4'-P-C4' energy: -2.645
flat angles P-C4'-P energy: -3.817
tors. eta vs tors. theta energy: 6.573
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: 3, replica: 5
=====================================
Write number: 144
Temperature: 2.383333
Total energy: -35.761956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.761956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.761956 (E_RNA)
where:
Base-Base interactions energy: -2.033
where: short stacking energy: -2.750
Base-Backbone interact. energy: -0.197
local terms energy: -33.531491
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -4.436
flat angles P-C4'-P energy: -1.589
tors. eta vs tors. theta energy: 3.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 144
Temperature: 2.400000
Total energy: -39.154967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.154967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.154967 (E_RNA)
where:
Base-Base interactions energy: -13.474
where: short stacking energy: -9.690
Base-Backbone interact. energy: -0.210
local terms energy: -25.470990
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: 1.710
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: 1.782
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: 2
=====================================
Write number: 144
Temperature: 2.416667
Total energy: -37.807643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.807643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.807643 (E_RNA)
where:
Base-Base interactions energy: -11.824
where: short stacking energy: -11.079
Base-Backbone interact. energy: -0.190
local terms energy: -25.793903
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: 0.170
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: 6, replica: 4
=====================================
Write number: 144
Temperature: 2.433333
Total energy: -33.361539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.361539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.361539 (E_RNA)
where:
Base-Base interactions energy: -3.038
where: short stacking energy: -3.038
Base-Backbone interact. energy: 1.428
local terms energy: -31.751455
where:
bonds (distance) C4'-P energy: -19.724
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: 2.064
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: 8.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 144
Temperature: 2.450000
Total energy: -41.325595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.325595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.325595 (E_RNA)
where:
Base-Base interactions energy: -3.522
where: short stacking energy: -3.485
Base-Backbone interact. energy: -0.422
local terms energy: -37.381879
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -3.005
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: 8, replica: 10
=====================================
Write number: 144
Temperature: 2.466667
Total energy: -33.720559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.720559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.720559 (E_RNA)
where:
Base-Base interactions energy: -7.412
where: short stacking energy: -2.031
Base-Backbone interact. energy: 0.840
local terms energy: -27.149297
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -5.090
flat angles P-C4'-P energy: -4.052
tors. eta vs tors. theta energy: 9.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 144
Temperature: 2.483333
Total energy: -36.533097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.533097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.533097 (E_RNA)
where:
Base-Base interactions energy: -9.147
where: short stacking energy: -7.352
Base-Backbone interact. energy: -0.491
local terms energy: -26.895547
where:
bonds (distance) C4'-P energy: -5.354
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -0.671
tors. eta vs tors. theta energy: 11.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 2.500000
Total energy: -37.444746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.444746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.444746 (E_RNA)
where:
Base-Base interactions energy: -2.453
where: short stacking energy: -1.094
Base-Backbone interact. energy: 2.037
local terms energy: -37.028678
where:
bonds (distance) C4'-P energy: -9.403
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: 2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 145
Temperature: 2.350000
Total energy: -41.546626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.546626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.546626 (E_RNA)
where:
Base-Base interactions energy: -9.123
where: short stacking energy: -4.817
Base-Backbone interact. energy: 0.262
local terms energy: -32.685541
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -5.493
tors. eta vs tors. theta energy: 11.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 145
Temperature: 2.366667
Total energy: -42.252937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.252937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.252937 (E_RNA)
where:
Base-Base interactions energy: -4.455
where: short stacking energy: -4.047
Base-Backbone interact. energy: -0.504
local terms energy: -37.294009
where:
bonds (distance) C4'-P energy: -8.390
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: 1.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 145
Temperature: 2.383333
Total energy: -39.199702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.199702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.199702 (E_RNA)
where:
Base-Base interactions energy: -13.154
where: short stacking energy: -8.126
Base-Backbone interact. energy: 1.614
local terms energy: -27.659450
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -6.275
flat angles C4'-P-C4' energy: -7.220
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: 4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 2.400000
Total energy: -37.867076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.867076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.867076 (E_RNA)
where:
Base-Base interactions energy: -3.263
where: short stacking energy: -2.377
Base-Backbone interact. energy: 1.072
local terms energy: -35.675531
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -7.621
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: 3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 145
Temperature: 2.416667
Total energy: -36.898379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.898379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.898379 (E_RNA)
where:
Base-Base interactions energy: -8.019
where: short stacking energy: -7.005
Base-Backbone interact. energy: -0.750
local terms energy: -28.129184
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -7.944
flat angles C4'-P-C4' energy: -6.969
flat angles P-C4'-P energy: -8.633
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: 6, replica: 3
=====================================
Write number: 145
Temperature: 2.433333
Total energy: -42.015823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.015823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.015823 (E_RNA)
where:
Base-Base interactions energy: -6.724
where: short stacking energy: -6.724
Base-Backbone interact. energy: 0.503
local terms energy: -35.794846
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -6.247
flat angles P-C4'-P energy: -11.521
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: 7, replica: 4
=====================================
Write number: 145
Temperature: 2.450000
Total energy: -38.818249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.818249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.818249 (E_RNA)
where:
Base-Base interactions energy: -11.219
where: short stacking energy: -10.545
Base-Backbone interact. energy: -0.166
local terms energy: -27.432845
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -10.600
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -1.141
tors. eta vs tors. theta energy: 6.872
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: 6
=====================================
Write number: 145
Temperature: 2.466667
Total energy: -36.438818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.438818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.438818 (E_RNA)
where:
Base-Base interactions energy: -0.774
where: short stacking energy: -0.714
Base-Backbone interact. energy: 0.989
local terms energy: -36.653491
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -16.792
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: 10.164
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: 145
Temperature: 2.483333
Total energy: -39.860055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.860055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.860055 (E_RNA)
where:
Base-Base interactions energy: -11.451
where: short stacking energy: -4.569
Base-Backbone interact. energy: -0.378
local terms energy: -28.031135
where:
bonds (distance) C4'-P energy: -4.958
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: 9.956
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: 8
=====================================
Write number: 145
Temperature: 2.500000
Total energy: -40.829103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.829103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.829103 (E_RNA)
where:
Base-Base interactions energy: -8.863
where: short stacking energy: -8.180
Base-Backbone interact. energy: -0.625
local terms energy: -31.340598
where:
bonds (distance) C4'-P energy: -8.531
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: 1.737
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: 5
=====================================
Write number: 146
Temperature: 2.350000
Total energy: -38.181923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.181923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.181923 (E_RNA)
where:
Base-Base interactions energy: -6.690
where: short stacking energy: -4.437
Base-Backbone interact. energy: -0.394
local terms energy: -31.097855
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -0.778
flat angles P-C4'-P energy: -4.806
tors. eta vs tors. theta energy: 3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 146
Temperature: 2.366667
Total energy: -37.970448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.970448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.970448 (E_RNA)
where:
Base-Base interactions energy: -10.680
where: short stacking energy: -10.322
Base-Backbone interact. energy: 4.583
local terms energy: -31.872999
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: 1.331
tors. eta vs tors. theta energy: 5.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 2.383333
Total energy: -46.476277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.476277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.476277 (E_RNA)
where:
Base-Base interactions energy: -8.398
where: short stacking energy: -7.636
Base-Backbone interact. energy: -0.492
local terms energy: -37.586185
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: 5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 146
Temperature: 2.400000
Total energy: -39.080527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.080527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.080527 (E_RNA)
where:
Base-Base interactions energy: -4.319
where: short stacking energy: -2.289
Base-Backbone interact. energy: -0.312
local terms energy: -34.449071
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -8.637
flat angles P-C4'-P energy: -2.882
tors. eta vs tors. theta energy: 9.702
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: 3
=====================================
Write number: 146
Temperature: 2.416667
Total energy: -47.939190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.939190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.939190 (E_RNA)
where:
Base-Base interactions energy: -13.873
where: short stacking energy: -12.697
Base-Backbone interact. energy: -0.075
local terms energy: -33.991643
where:
bonds (distance) C4'-P energy: -7.575
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: 6.162
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: 146
Temperature: 2.433333
Total energy: -40.162004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.162004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.162004 (E_RNA)
where:
Base-Base interactions energy: -8.220
where: short stacking energy: -8.220
Base-Backbone interact. energy: -0.072
local terms energy: -31.870312
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -8.986
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: 11.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 146
Temperature: 2.450000
Total energy: -41.962199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.962199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.962199 (E_RNA)
where:
Base-Base interactions energy: -5.765
where: short stacking energy: -5.356
Base-Backbone interact. energy: -0.404
local terms energy: -35.793567
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: 9.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 2.466667
Total energy: -31.207515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.207515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.207515 (E_RNA)
where:
Base-Base interactions energy: -7.326
where: short stacking energy: -8.950
Base-Backbone interact. energy: -0.614
local terms energy: -23.267265
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -7.745
flat angles C4'-P-C4' energy: -1.064
flat angles P-C4'-P energy: -1.238
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: 9, replica: 8
=====================================
Write number: 146
Temperature: 2.483333
Total energy: -47.023016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.023016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.023016 (E_RNA)
where:
Base-Base interactions energy: -6.368
where: short stacking energy: -5.287
Base-Backbone interact. energy: 2.330
local terms energy: -42.985496
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: 5.956
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: 10
=====================================
Write number: 146
Temperature: 2.500000
Total energy: -37.717439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.717439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.717439 (E_RNA)
where:
Base-Base interactions energy: -14.599
where: short stacking energy: -11.393
Base-Backbone interact. energy: -0.215
local terms energy: -22.903416
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -9.080
flat angles C4'-P-C4' energy: -5.843
flat angles P-C4'-P energy: -3.743
tors. eta vs tors. theta energy: 7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 147
Temperature: 2.350000
Total energy: -40.009407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.009407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.009407 (E_RNA)
where:
Base-Base interactions energy: -11.766
where: short stacking energy: -7.910
Base-Backbone interact. energy: -0.760
local terms energy: -27.483746
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -7.051
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: 0.211
tors. eta vs tors. theta energy: 1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 2.366667
Total energy: -38.571953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.571953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.571953 (E_RNA)
where:
Base-Base interactions energy: -7.277
where: short stacking energy: -7.277
Base-Backbone interact. energy: -0.090
local terms energy: -31.204243
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -6.939
flat angles P-C4'-P energy: 0.045
tors. eta vs tors. theta energy: 5.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 147
Temperature: 2.383333
Total energy: -37.860102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.860102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.860102 (E_RNA)
where:
Base-Base interactions energy: -8.905
where: short stacking energy: -8.124
Base-Backbone interact. energy: 0.751
local terms energy: -29.706484
where:
bonds (distance) C4'-P energy: -7.292
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -8.794
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: 10.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 147
Temperature: 2.400000
Total energy: -40.631088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.631088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.631088 (E_RNA)
where:
Base-Base interactions energy: -6.596
where: short stacking energy: -6.596
Base-Backbone interact. energy: 1.056
local terms energy: -35.090823
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -5.484
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: 5, replica: 1
=====================================
Write number: 147
Temperature: 2.416667
Total energy: -36.278687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.278687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.278687 (E_RNA)
where:
Base-Base interactions energy: -5.819
where: short stacking energy: -6.240
Base-Backbone interact. energy: 0.239
local terms energy: -30.697963
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -5.010
flat angles C4'-P-C4' energy: -7.611
flat angles P-C4'-P energy: -7.839
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: 6, replica: 6
=====================================
Write number: 147
Temperature: 2.433333
Total energy: -39.341535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.341535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.341535 (E_RNA)
where:
Base-Base interactions energy: -4.756
where: short stacking energy: -4.756
Base-Backbone interact. energy: 2.021
local terms energy: -36.606861
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -6.130
flat angles P-C4'-P energy: -3.131
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: 7, replica: 7
=====================================
Write number: 147
Temperature: 2.450000
Total energy: -32.600840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.600840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.600840 (E_RNA)
where:
Base-Base interactions energy: -0.304
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.391
local terms energy: -31.905686
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -9.988
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -2.695
tors. eta vs tors. theta energy: 11.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 147
Temperature: 2.466667
Total energy: -38.610583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.610583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.610583 (E_RNA)
where:
Base-Base interactions energy: -7.582
where: short stacking energy: -6.888
Base-Backbone interact. energy: 1.818
local terms energy: -32.846585
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -5.541
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: 9.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 147
Temperature: 2.483333
Total energy: -38.918548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.918548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.918548 (E_RNA)
where:
Base-Base interactions energy: -1.845
where: short stacking energy: -1.845
Base-Backbone interact. energy: -0.262
local terms energy: -36.811239
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -6.062
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: 3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 2.500000
Total energy: -39.835528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.835528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.835528 (E_RNA)
where:
Base-Base interactions energy: -4.149
where: short stacking energy: -3.578
Base-Backbone interact. energy: -0.407
local terms energy: -35.279207
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: 0.441
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: 1, replica: 2
=====================================
Write number: 148
Temperature: 2.350000
Total energy: -32.173751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.173751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.173751 (E_RNA)
where:
Base-Base interactions energy: -1.018
where: short stacking energy: -1.018
Base-Backbone interact. energy: -0.392
local terms energy: -30.764233
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -7.889
flat angles P-C4'-P energy: 4.983
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: 2, replica: 5
=====================================
Write number: 148
Temperature: 2.366667
Total energy: -41.436080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.436080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.436080 (E_RNA)
where:
Base-Base interactions energy: -12.269
where: short stacking energy: -11.343
Base-Backbone interact. energy: -0.266
local terms energy: -28.900925
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -8.805
flat angles P-C4'-P energy: -2.562
tors. eta vs tors. theta energy: 3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 148
Temperature: 2.383333
Total energy: -47.351231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.351231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.351231 (E_RNA)
where:
Base-Base interactions energy: -21.430
where: short stacking energy: -13.410
Base-Backbone interact. energy: -0.835
local terms energy: -25.086615
where:
bonds (distance) C4'-P energy: -3.928
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: 5.575
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: 9
=====================================
Write number: 148
Temperature: 2.400000
Total energy: -43.955428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.955428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.955428 (E_RNA)
where:
Base-Base interactions energy: -12.002
where: short stacking energy: -11.619
Base-Backbone interact. energy: -0.241
local terms energy: -31.712382
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -5.861
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -3.628
tors. eta vs tors. theta energy: -1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 2.416667
Total energy: -36.685839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.685839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.685839 (E_RNA)
where:
Base-Base interactions energy: -0.306
where: short stacking energy: 1.293
Base-Backbone interact. energy: -0.128
local terms energy: -36.252490
where:
bonds (distance) C4'-P energy: -4.979
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -5.577
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: 6, replica: 1
=====================================
Write number: 148
Temperature: 2.433333
Total energy: -39.607791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.607791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.607791 (E_RNA)
where:
Base-Base interactions energy: 1.420
where: short stacking energy: 1.420
Base-Backbone interact. energy: 0.002
local terms energy: -41.029132
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: 9.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 148
Temperature: 2.450000
Total energy: -36.889142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.889142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.889142 (E_RNA)
where:
Base-Base interactions energy: -9.559
where: short stacking energy: -1.823
Base-Backbone interact. energy: -0.316
local terms energy: -27.013688
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -4.232
flat angles P-C4'-P energy: -4.753
tors. eta vs tors. theta energy: 12.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 148
Temperature: 2.466667
Total energy: -34.200891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.200891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.200891 (E_RNA)
where:
Base-Base interactions energy: -6.237
where: short stacking energy: -5.435
Base-Backbone interact. energy: -0.188
local terms energy: -27.775697
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -4.876
flat angles P-C4'-P energy: -2.542
tors. eta vs tors. theta energy: 12.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 2.483333
Total energy: -34.922753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.922753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.922753 (E_RNA)
where:
Base-Base interactions energy: -4.567
where: short stacking energy: -4.029
Base-Backbone interact. energy: -0.319
local terms energy: -30.035975
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -8.634
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: 10.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 148
Temperature: 2.500000
Total energy: -41.239603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.239603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.239603 (E_RNA)
where:
Base-Base interactions energy: -6.270
where: short stacking energy: -3.878
Base-Backbone interact. energy: 1.268
local terms energy: -36.237987
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -4.628
tors. eta vs tors. theta energy: 5.575
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: 1, replica: 2
=====================================
Write number: 149
Temperature: 2.350000
Total energy: -37.852076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.852076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.852076 (E_RNA)
where:
Base-Base interactions energy: -9.824
where: short stacking energy: -8.397
Base-Backbone interact. energy: -0.321
local terms energy: -27.706531
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -5.182
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: 7.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 149
Temperature: 2.366667
Total energy: -39.617250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.617250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.617250 (E_RNA)
where:
Base-Base interactions energy: -2.444
where: short stacking energy: -1.719
Base-Backbone interact. energy: -0.194
local terms energy: -36.979304
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -1.606
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: 3, replica: 5
=====================================
Write number: 149
Temperature: 2.383333
Total energy: -40.142580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.142580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.142580 (E_RNA)
where:
Base-Base interactions energy: -9.302
where: short stacking energy: -8.574
Base-Backbone interact. energy: -1.264
local terms energy: -29.575748
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -8.687
flat angles C4'-P-C4' energy: -7.088
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: 6.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 149
Temperature: 2.400000
Total energy: -34.108264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.108264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.108264 (E_RNA)
where:
Base-Base interactions energy: -6.257
where: short stacking energy: -3.411
Base-Backbone interact. energy: -0.532
local terms energy: -27.318639
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -2.201
flat angles P-C4'-P energy: -1.784
tors. eta vs tors. theta energy: 7.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 149
Temperature: 2.416667
Total energy: -34.982385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.982385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.982385 (E_RNA)
where:
Base-Base interactions energy: -16.247
where: short stacking energy: -12.733
Base-Backbone interact. energy: -0.096
local terms energy: -18.640381
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -9.664
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: 2.152
tors. eta vs tors. theta energy: 10.310
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: 149
Temperature: 2.433333
Total energy: -38.939608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.939608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.939608 (E_RNA)
where:
Base-Base interactions energy: -11.965
where: short stacking energy: -10.011
Base-Backbone interact. energy: -0.750
local terms energy: -26.224839
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -0.868
flat angles P-C4'-P energy: -4.842
tors. eta vs tors. theta energy: 9.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 149
Temperature: 2.450000
Total energy: -31.406903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.406903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.406903 (E_RNA)
where:
Base-Base interactions energy: -3.776
where: short stacking energy: -2.865
Base-Backbone interact. energy: 5.268
local terms energy: -32.898949
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -8.053
flat angles C4'-P-C4' energy: -7.952
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: 3.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 2.466667
Total energy: -40.199153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.199153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.199153 (E_RNA)
where:
Base-Base interactions energy: -9.405
where: short stacking energy: -9.405
Base-Backbone interact. energy: -0.289
local terms energy: -30.505116
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: 2.751
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: 9, replica: 7
=====================================
Write number: 149
Temperature: 2.483333
Total energy: -36.168715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.168715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.168715 (E_RNA)
where:
Base-Base interactions energy: -2.790
where: short stacking energy: -2.790
Base-Backbone interact. energy: -1.159
local terms energy: -32.218987
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -2.242
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: 10, replica: 4
=====================================
Write number: 149
Temperature: 2.500000
Total energy: -39.130711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.130711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.130711 (E_RNA)
where:
Base-Base interactions energy: -6.560
where: short stacking energy: -4.669
Base-Backbone interact. energy: -0.651
local terms energy: -31.919631
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -6.172
flat angles P-C4'-P energy: -3.267
tors. eta vs tors. theta energy: 3.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 2.350000
Total energy: -44.765096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.765096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.765096 (E_RNA)
where:
Base-Base interactions energy: -16.112
where: short stacking energy: -13.698
Base-Backbone interact. energy: 0.883
local terms energy: -29.536150
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -6.947
flat angles P-C4'-P energy: 1.164
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: 2, replica: 2
=====================================
Write number: 150
Temperature: 2.366667
Total energy: -38.380151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.380151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.380151 (E_RNA)
where:
Base-Base interactions energy: -5.192
where: short stacking energy: -4.347
Base-Backbone interact. energy: 0.856
local terms energy: -34.043688
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -1.992
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: 6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 150
Temperature: 2.383333
Total energy: -34.325437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.325437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.325437 (E_RNA)
where:
Base-Base interactions energy: -19.377
where: short stacking energy: -15.767
Base-Backbone interact. energy: 2.732
local terms energy: -17.679825
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -5.992
flat angles C4'-P-C4' energy: -1.299
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: 5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 150
Temperature: 2.400000
Total energy: -38.895176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.895176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.895176 (E_RNA)
where:
Base-Base interactions energy: -6.782
where: short stacking energy: -6.782
Base-Backbone interact. energy: -0.907
local terms energy: -31.206023
where:
bonds (distance) C4'-P energy: -8.346
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: 0.560
tors. eta vs tors. theta energy: 8.038
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: 5, replica: 8
=====================================
Write number: 150
Temperature: 2.416667
Total energy: -36.036193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.036193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.036193 (E_RNA)
where:
Base-Base interactions energy: -10.186
where: short stacking energy: -8.928
Base-Backbone interact. energy: -1.213
local terms energy: -24.637066
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -5.925
flat angles C4'-P-C4' energy: -4.627
flat angles P-C4'-P energy: 1.717
tors. eta vs tors. theta energy: -0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 150
Temperature: 2.433333
Total energy: -39.527875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.527875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.527875 (E_RNA)
where:
Base-Base interactions energy: -8.278
where: short stacking energy: -6.670
Base-Backbone interact. energy: 4.138
local terms energy: -35.388182
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -5.306
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: 7.800
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: 10
=====================================
Write number: 150
Temperature: 2.450000
Total energy: -36.000757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.000757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.000757 (E_RNA)
where:
Base-Base interactions energy: -6.822
where: short stacking energy: -2.836
Base-Backbone interact. energy: 2.670
local terms energy: -31.847945
where:
bonds (distance) C4'-P energy: -8.931
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -4.230
tors. eta vs tors. theta energy: 3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 150
Temperature: 2.466667
Total energy: -35.304458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.304458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.304458 (E_RNA)
where:
Base-Base interactions energy: -9.124
where: short stacking energy: -1.856
Base-Backbone interact. energy: -0.343
local terms energy: -25.837574
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -7.798
flat angles P-C4'-P energy: -4.209
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: 9, replica: 4
=====================================
Write number: 150
Temperature: 2.483333
Total energy: -34.653805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.653805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.653805 (E_RNA)
where:
Base-Base interactions energy: -13.055
where: short stacking energy: -10.606
Base-Backbone interact. energy: -0.101
local terms energy: -21.498108
where:
bonds (distance) C4'-P energy: -3.115
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -5.517
flat angles P-C4'-P energy: -4.299
tors. eta vs tors. theta energy: 7.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 150
Temperature: 2.500000
Total energy: -37.914496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.914496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.914496 (E_RNA)
where:
Base-Base interactions energy: -9.359
where: short stacking energy: -7.309
Base-Backbone interact. energy: -0.415
local terms energy: -28.140914
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -17.991
flat angles C4'-P-C4' energy: -7.205
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: 11.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 151
Temperature: 2.350000
Total energy: -36.034642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.034642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.034642 (E_RNA)
where:
Base-Base interactions energy: -1.990
where: short stacking energy: -1.990
Base-Backbone interact. energy: -0.291
local terms energy: -33.754234
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -4.514
tors. eta vs tors. theta energy: 10.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 151
Temperature: 2.366667
Total energy: -37.256751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.256751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.256751 (E_RNA)
where:
Base-Base interactions energy: -9.356
where: short stacking energy: -9.295
Base-Backbone interact. energy: 0.373
local terms energy: -28.273188
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -0.533
flat angles P-C4'-P energy: -1.400
tors. eta vs tors. theta energy: 7.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 151
Temperature: 2.383333
Total energy: -39.939613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.939613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.939613 (E_RNA)
where:
Base-Base interactions energy: -10.227
where: short stacking energy: -5.136
Base-Backbone interact. energy: 4.427
local terms energy: -34.139074
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: 4.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 2.400000
Total energy: -36.454820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.454820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.454820 (E_RNA)
where:
Base-Base interactions energy: -6.760
where: short stacking energy: -7.760
Base-Backbone interact. energy: 4.216
local terms energy: -33.911180
where:
bonds (distance) C4'-P energy: -7.759
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: 9.304
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: 5
=====================================
Write number: 151
Temperature: 2.416667
Total energy: -42.465649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.465649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.465649 (E_RNA)
where:
Base-Base interactions energy: -4.092
where: short stacking energy: -1.939
Base-Backbone interact. energy: -0.187
local terms energy: -38.185971
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: 10.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 151
Temperature: 2.433333
Total energy: -38.592495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.592495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.592495 (E_RNA)
where:
Base-Base interactions energy: -4.423
where: short stacking energy: -4.423
Base-Backbone interact. energy: -0.234
local terms energy: -33.935746
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -8.997
flat angles P-C4'-P energy: -3.771
tors. eta vs tors. theta energy: 11.107
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: 9
=====================================
Write number: 151
Temperature: 2.450000
Total energy: -36.829454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.829454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.829454 (E_RNA)
where:
Base-Base interactions energy: -9.935
where: short stacking energy: -10.135
Base-Backbone interact. energy: -0.316
local terms energy: -26.578317
where:
bonds (distance) C4'-P energy: -8.356
bonds (distance) P-C4' energy: -9.908
flat angles C4'-P-C4' energy: -3.496
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: 4.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 151
Temperature: 2.466667
Total energy: -36.252572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.252572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.252572 (E_RNA)
where:
Base-Base interactions energy: -7.453
where: short stacking energy: -5.461
Base-Backbone interact. energy: -0.391
local terms energy: -28.409284
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -8.317
flat angles P-C4'-P energy: 0.001
tors. eta vs tors. theta energy: 10.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 151
Temperature: 2.483333
Total energy: -38.000764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.000764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.000764 (E_RNA)
where:
Base-Base interactions energy: -11.522
where: short stacking energy: -11.522
Base-Backbone interact. energy: -0.083
local terms energy: -26.395661
where:
bonds (distance) C4'-P energy: -4.640
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -3.093
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: 6.750
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: 7
=====================================
Write number: 151
Temperature: 2.500000
Total energy: -35.884692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.884692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.884692 (E_RNA)
where:
Base-Base interactions energy: -3.517
where: short stacking energy: -2.989
Base-Backbone interact. energy: 3.258
local terms energy: -35.626415
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -7.267
flat angles P-C4'-P energy: -2.630
tors. eta vs tors. theta energy: 2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 152
Temperature: 2.350000
Total energy: -38.294854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.294854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.294854 (E_RNA)
where:
Base-Base interactions energy: -8.877
where: short stacking energy: -6.547
Base-Backbone interact. energy: -1.351
local terms energy: -28.066851
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -2.746
flat angles P-C4'-P energy: -4.482
tors. eta vs tors. theta energy: 7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 152
Temperature: 2.366667
Total energy: -34.106411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.106411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.106411 (E_RNA)
where:
Base-Base interactions energy: -5.301
where: short stacking energy: -3.956
Base-Backbone interact. energy: 4.150
local terms energy: -32.955202
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -7.183
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: 11.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 152
Temperature: 2.383333
Total energy: -37.558598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.558598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.558598 (E_RNA)
where:
Base-Base interactions energy: -13.163
where: short stacking energy: -13.163
Base-Backbone interact. energy: 0.067
local terms energy: -24.462454
where:
bonds (distance) C4'-P energy: -4.796
bonds (distance) P-C4' energy: -8.409
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -1.571
tors. eta vs tors. theta energy: 1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 152
Temperature: 2.400000
Total energy: -44.140797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.140797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.140797 (E_RNA)
where:
Base-Base interactions energy: -9.163
where: short stacking energy: -7.985
Base-Backbone interact. energy: -0.001
local terms energy: -34.976470
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -6.405
flat angles P-C4'-P energy: -8.314
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: 5, replica: 10
=====================================
Write number: 152
Temperature: 2.416667
Total energy: -39.793391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.793391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.793391 (E_RNA)
where:
Base-Base interactions energy: -14.283
where: short stacking energy: -12.974
Base-Backbone interact. energy: -0.014
local terms energy: -25.496195
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -7.601
flat angles P-C4'-P energy: -2.213
tors. eta vs tors. theta energy: 4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 152
Temperature: 2.433333
Total energy: -37.723066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.723066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.723066 (E_RNA)
where:
Base-Base interactions energy: -4.678
where: short stacking energy: -3.977
Base-Backbone interact. energy: 1.954
local terms energy: -34.999642
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: 4.450
tors. eta vs tors. theta energy: 8.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 152
Temperature: 2.450000
Total energy: -37.032914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.032914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.032914 (E_RNA)
where:
Base-Base interactions energy: 0.733
where: short stacking energy: 1.426
Base-Backbone interact. energy: -0.115
local terms energy: -37.650754
where:
bonds (distance) C4'-P energy: -8.832
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: 5.480
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: 9
=====================================
Write number: 152
Temperature: 2.466667
Total energy: -34.540275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.540275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.540275 (E_RNA)
where:
Base-Base interactions energy: -11.050
where: short stacking energy: -8.471
Base-Backbone interact. energy: -0.311
local terms energy: -23.178619
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: 0.219
flat angles P-C4'-P energy: 2.902
tors. eta vs tors. theta energy: 2.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 152
Temperature: 2.483333
Total energy: -37.338593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.338593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.338593 (E_RNA)
where:
Base-Base interactions energy: -12.075
where: short stacking energy: -12.075
Base-Backbone interact. energy: 0.817
local terms energy: -26.080674
where:
bonds (distance) C4'-P energy: -8.009
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: 0.718
tors. eta vs tors. theta energy: 6.701
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: 1
=====================================
Write number: 152
Temperature: 2.500000
Total energy: -35.019071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.019071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.019071 (E_RNA)
where:
Base-Base interactions energy: -9.653
where: short stacking energy: -6.734
Base-Backbone interact. energy: -0.056
local terms energy: -25.309610
where:
bonds (distance) C4'-P energy: -4.598
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -4.773
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: 6.822
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: 6
=====================================
Write number: 153
Temperature: 2.350000
Total energy: -51.243560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.243560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.243560 (E_RNA)
where:
Base-Base interactions energy: -11.544
where: short stacking energy: -10.425
Base-Backbone interact. energy: -0.386
local terms energy: -39.313019
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -9.078
flat angles P-C4'-P energy: -3.956
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: 2, replica: 8
=====================================
Write number: 153
Temperature: 2.366667
Total energy: -43.118861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.118861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.118861 (E_RNA)
where:
Base-Base interactions energy: -6.678
where: short stacking energy: -6.016
Base-Backbone interact. energy: -0.264
local terms energy: -36.176677
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -8.587
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: 2.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 153
Temperature: 2.383333
Total energy: -35.108635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.108635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.108635 (E_RNA)
where:
Base-Base interactions energy: -10.681
where: short stacking energy: -7.292
Base-Backbone interact. energy: 1.592
local terms energy: -26.020140
where:
bonds (distance) C4'-P energy: -4.462
bonds (distance) P-C4' energy: -9.282
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -5.654
tors. eta vs tors. theta energy: 7.862
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: 10
=====================================
Write number: 153
Temperature: 2.400000
Total energy: -35.906769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.906769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.906769 (E_RNA)
where:
Base-Base interactions energy: -6.855
where: short stacking energy: -6.855
Base-Backbone interact. energy: -0.215
local terms energy: -28.836854
where:
bonds (distance) C4'-P energy: -10.809
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -6.784
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: 10.494
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: 5, replica: 2
=====================================
Write number: 153
Temperature: 2.416667
Total energy: -42.662502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.662502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.662502 (E_RNA)
where:
Base-Base interactions energy: -5.996
where: short stacking energy: -5.996
Base-Backbone interact. energy: -0.003
local terms energy: -36.662939
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -9.232
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: 5.727
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: 4
=====================================
Write number: 153
Temperature: 2.433333
Total energy: -42.247472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.247472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.247472 (E_RNA)
where:
Base-Base interactions energy: -7.075
where: short stacking energy: -6.178
Base-Backbone interact. energy: -0.180
local terms energy: -34.992918
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -6.970
flat angles P-C4'-P energy: -4.102
tors. eta vs tors. theta energy: 2.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 153
Temperature: 2.450000
Total energy: -36.512585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.512585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.512585 (E_RNA)
where:
Base-Base interactions energy: -3.312
where: short stacking energy: -2.497
Base-Backbone interact. energy: -0.481
local terms energy: -32.719755
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -9.605
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -1.694
tors. eta vs tors. theta energy: 9.938
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: 7
=====================================
Write number: 153
Temperature: 2.466667
Total energy: -34.014161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.014161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.014161 (E_RNA)
where:
Base-Base interactions energy: -11.553
where: short stacking energy: -4.376
Base-Backbone interact. energy: 0.802
local terms energy: -23.262461
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -2.241
tors. eta vs tors. theta energy: 12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 2.483333
Total energy: -35.819733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.819733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.819733 (E_RNA)
where:
Base-Base interactions energy: -1.503
where: short stacking energy: -1.503
Base-Backbone interact. energy: -0.203
local terms energy: -34.114417
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: 6.492
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: 10, replica: 1
=====================================
Write number: 153
Temperature: 2.500000
Total energy: -35.814060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.814060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.814060 (E_RNA)
where:
Base-Base interactions energy: -7.152
where: short stacking energy: -6.176
Base-Backbone interact. energy: -0.276
local terms energy: -28.385507
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -10.301
flat angles C4'-P-C4' energy: -6.931
flat angles P-C4'-P energy: -3.938
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: 8
=====================================
Write number: 154
Temperature: 2.350000
Total energy: -37.169982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.169982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.169982 (E_RNA)
where:
Base-Base interactions energy: -2.000
where: short stacking energy: -2.000
Base-Backbone interact. energy: -0.610
local terms energy: -34.560160
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -1.586
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: 9.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 154
Temperature: 2.366667
Total energy: -47.007317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.007317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.007317 (E_RNA)
where:
Base-Base interactions energy: -13.302
where: short stacking energy: -11.338
Base-Backbone interact. energy: 0.899
local terms energy: -34.604503
where:
bonds (distance) C4'-P energy: -5.587
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -7.334
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: 3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 154
Temperature: 2.383333
Total energy: -50.689051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.689051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.689051 (E_RNA)
where:
Base-Base interactions energy: -13.516
where: short stacking energy: -13.871
Base-Backbone interact. energy: 0.637
local terms energy: -37.810278
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: 1.196
tors. eta vs tors. theta energy: 5.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 154
Temperature: 2.400000
Total energy: -37.754203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.754203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.754203 (E_RNA)
where:
Base-Base interactions energy: -6.403
where: short stacking energy: -4.375
Base-Backbone interact. energy: 1.476
local terms energy: -32.826687
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -5.840
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: 3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 2.416667
Total energy: -40.144687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.144687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.144687 (E_RNA)
where:
Base-Base interactions energy: -14.553
where: short stacking energy: -7.718
Base-Backbone interact. energy: -1.103
local terms energy: -24.488486
where:
bonds (distance) C4'-P energy: -4.664
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: 7.089
tors. eta vs tors. theta energy: 5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 154
Temperature: 2.433333
Total energy: -40.304072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.304072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.304072 (E_RNA)
where:
Base-Base interactions energy: -7.094
where: short stacking energy: -7.094
Base-Backbone interact. energy: -0.320
local terms energy: -32.890385
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -6.380
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -9.377
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: 7, replica: 7
=====================================
Write number: 154
Temperature: 2.450000
Total energy: -36.585972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.585972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.585972 (E_RNA)
where:
Base-Base interactions energy: -6.413
where: short stacking energy: -6.413
Base-Backbone interact. energy: -0.488
local terms energy: -29.685557
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: 1.055
tors. eta vs tors. theta energy: 6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 154
Temperature: 2.466667
Total energy: -37.151514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.151514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.151514 (E_RNA)
where:
Base-Base interactions energy: -2.607
where: short stacking energy: -1.896
Base-Backbone interact. energy: 0.133
local terms energy: -34.677616
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -8.099
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: 8.198
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: 9, replica: 1
=====================================
Write number: 154
Temperature: 2.483333
Total energy: -36.643491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.643491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.643491 (E_RNA)
where:
Base-Base interactions energy: -7.019
where: short stacking energy: -2.704
Base-Backbone interact. energy: -0.216
local terms energy: -29.409185
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -9.568
flat angles P-C4'-P energy: -3.532
tors. eta vs tors. theta energy: 6.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 154
Temperature: 2.500000
Total energy: -39.809622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.809622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.809622 (E_RNA)
where:
Base-Base interactions energy: -8.617
where: short stacking energy: -7.281
Base-Backbone interact. energy: 0.483
local terms energy: -31.676054
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -3.247
tors. eta vs tors. theta energy: 12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 155
Temperature: 2.350000
Total energy: -38.369261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.369261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.369261 (E_RNA)
where:
Base-Base interactions energy: -5.552
where: short stacking energy: -3.549
Base-Backbone interact. energy: -0.446
local terms energy: -32.371893
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -9.508
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: 11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 155
Temperature: 2.366667
Total energy: -34.621707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.621707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.621707 (E_RNA)
where:
Base-Base interactions energy: -8.783
where: short stacking energy: -7.884
Base-Backbone interact. energy: -0.093
local terms energy: -25.746035
where:
bonds (distance) C4'-P energy: -4.059
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -5.686
flat angles P-C4'-P energy: -3.964
tors. eta vs tors. theta energy: 6.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 155
Temperature: 2.383333
Total energy: -35.405368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.405368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.405368 (E_RNA)
where:
Base-Base interactions energy: -5.315
where: short stacking energy: -5.706
Base-Backbone interact. energy: -0.713
local terms energy: -29.377895
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -10.410
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -1.106
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: 4, replica: 4
=====================================
Write number: 155
Temperature: 2.400000
Total energy: -36.825650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.825650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.825650 (E_RNA)
where:
Base-Base interactions energy: -11.931
where: short stacking energy: -11.880
Base-Backbone interact. energy: -0.382
local terms energy: -24.512148
where:
bonds (distance) C4'-P energy: -6.049
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -2.068
flat angles P-C4'-P energy: -3.557
tors. eta vs tors. theta energy: -1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 155
Temperature: 2.416667
Total energy: -38.593806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.593806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.593806 (E_RNA)
where:
Base-Base interactions energy: -14.256
where: short stacking energy: -15.556
Base-Backbone interact. energy: 0.974
local terms energy: -25.312153
where:
bonds (distance) C4'-P energy: -4.828
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -9.316
flat angles P-C4'-P energy: -4.650
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: 6, replica: 7
=====================================
Write number: 155
Temperature: 2.433333
Total energy: -45.570096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.570096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.570096 (E_RNA)
where:
Base-Base interactions energy: -10.038
where: short stacking energy: -9.291
Base-Backbone interact. energy: 2.472
local terms energy: -38.004937
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: 6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 155
Temperature: 2.450000
Total energy: -34.732671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.732671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.732671 (E_RNA)
where:
Base-Base interactions energy: -6.007
where: short stacking energy: -3.679
Base-Backbone interact. energy: 1.343
local terms energy: -30.069232
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -6.936
flat angles P-C4'-P energy: -2.408
tors. eta vs tors. theta energy: 4.165
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: 1
=====================================
Write number: 155
Temperature: 2.466667
Total energy: -32.789626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.789626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.789626 (E_RNA)
where:
Base-Base interactions energy: -5.664
where: short stacking energy: -4.754
Base-Backbone interact. energy: -0.343
local terms energy: -26.782599
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: 14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 2.483333
Total energy: -41.916517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.916517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.916517 (E_RNA)
where:
Base-Base interactions energy: -3.496
where: short stacking energy: -1.452
Base-Backbone interact. energy: -0.262
local terms energy: -38.158046
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -8.294
flat angles P-C4'-P energy: -8.160
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: 10, replica: 9
=====================================
Write number: 155
Temperature: 2.500000
Total energy: -35.604848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.604848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.604848 (E_RNA)
where:
Base-Base interactions energy: -12.635
where: short stacking energy: -11.367
Base-Backbone interact. energy: 0.443
local terms energy: -23.413342
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -2.970
flat angles C4'-P-C4' energy: -8.967
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: 6.166
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: 10
=====================================
Write number: 156
Temperature: 2.350000
Total energy: -40.371115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.371115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.371115 (E_RNA)
where:
Base-Base interactions energy: -8.803
where: short stacking energy: -6.236
Base-Backbone interact. energy: 3.370
local terms energy: -34.938783
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -7.314
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: 9.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 156
Temperature: 2.366667
Total energy: -35.365718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.365718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.365718 (E_RNA)
where:
Base-Base interactions energy: -4.601
where: short stacking energy: -4.113
Base-Backbone interact. energy: -0.255
local terms energy: -30.509973
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -9.515
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -0.049
tors. eta vs tors. theta energy: 1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 2.383333
Total energy: -37.187509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.187509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.187509 (E_RNA)
where:
Base-Base interactions energy: -9.967
where: short stacking energy: -11.567
Base-Backbone interact. energy: 0.961
local terms energy: -28.181612
where:
bonds (distance) C4'-P energy: -7.330
bonds (distance) P-C4' energy: -10.618
flat angles C4'-P-C4' energy: -8.202
flat angles P-C4'-P energy: -4.186
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: 4, replica: 6
=====================================
Write number: 156
Temperature: 2.400000
Total energy: -44.915904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.915904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.915904 (E_RNA)
where:
Base-Base interactions energy: -13.364
where: short stacking energy: -8.527
Base-Backbone interact. energy: -0.040
local terms energy: -31.512470
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -4.413
flat angles P-C4'-P energy: -4.106
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: 5, replica: 7
=====================================
Write number: 156
Temperature: 2.416667
Total energy: -34.816977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.816977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.816977 (E_RNA)
where:
Base-Base interactions energy: -8.837
where: short stacking energy: -7.660
Base-Backbone interact. energy: 0.845
local terms energy: -26.824640
where:
bonds (distance) C4'-P energy: -9.003
bonds (distance) P-C4' energy: -6.936
flat angles C4'-P-C4' energy: -8.284
flat angles P-C4'-P energy: -1.359
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 156
Temperature: 2.433333
Total energy: -37.688870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.688870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.688870 (E_RNA)
where:
Base-Base interactions energy: -3.259
where: short stacking energy: -3.259
Base-Backbone interact. energy: -0.249
local terms energy: -34.180376
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -3.695
tors. eta vs tors. theta energy: 6.919
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: 1
=====================================
Write number: 156
Temperature: 2.450000
Total energy: -41.576061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.576061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.576061 (E_RNA)
where:
Base-Base interactions energy: -9.777
where: short stacking energy: -9.777
Base-Backbone interact. energy: -0.182
local terms energy: -31.616847
where:
bonds (distance) C4'-P energy: -8.012
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: 4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 156
Temperature: 2.466667
Total energy: -34.117806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.117806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.117806 (E_RNA)
where:
Base-Base interactions energy: -7.948
where: short stacking energy: -5.808
Base-Backbone interact. energy: 0.342
local terms energy: -26.512170
where:
bonds (distance) C4'-P energy: -5.708
bonds (distance) P-C4' energy: -6.240
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -4.031
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: 9, replica: 9
=====================================
Write number: 156
Temperature: 2.483333
Total energy: -36.737912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.737912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.737912 (E_RNA)
where:
Base-Base interactions energy: -5.621
where: short stacking energy: -5.621
Base-Backbone interact. energy: -0.371
local terms energy: -30.746065
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -6.465
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: 8.313
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: 10, replica: 5
=====================================
Write number: 156
Temperature: 2.500000
Total energy: -30.013830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.013830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.013830 (E_RNA)
where:
Base-Base interactions energy: -4.293
where: short stacking energy: -1.481
Base-Backbone interact. energy: -0.501
local terms energy: -25.219710
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -5.817
flat angles C4'-P-C4' energy: -8.252
flat angles P-C4'-P energy: -0.501
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: 1, replica: 10
=====================================
Write number: 157
Temperature: 2.350000
Total energy: -40.116939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.116939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.116939 (E_RNA)
where:
Base-Base interactions energy: -3.126
where: short stacking energy: -1.338
Base-Backbone interact. energy: 0.036
local terms energy: -37.026254
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -8.621
flat angles P-C4'-P energy: -6.527
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: 2, replica: 4
=====================================
Write number: 157
Temperature: 2.366667
Total energy: -34.226979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.226979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.226979 (E_RNA)
where:
Base-Base interactions energy: -5.533
where: short stacking energy: -3.180
Base-Backbone interact. energy: 2.886
local terms energy: -31.580188
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -1.505
tors. eta vs tors. theta energy: 9.250
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: 8
=====================================
Write number: 157
Temperature: 2.383333
Total energy: -41.501207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.501207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.501207 (E_RNA)
where:
Base-Base interactions energy: -14.107
where: short stacking energy: -9.463
Base-Backbone interact. energy: -0.486
local terms energy: -26.908348
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -5.972
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: 5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 157
Temperature: 2.400000
Total energy: -36.240552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.240552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.240552 (E_RNA)
where:
Base-Base interactions energy: -6.492
where: short stacking energy: -3.044
Base-Backbone interact. energy: -0.047
local terms energy: -29.702233
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -4.972
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: 10.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 157
Temperature: 2.416667
Total energy: -41.568702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.568702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.568702 (E_RNA)
where:
Base-Base interactions energy: -5.459
where: short stacking energy: -5.157
Base-Backbone interact. energy: -0.985
local terms energy: -35.124991
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -4.806
flat angles C4'-P-C4' energy: -9.051
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: 5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 157
Temperature: 2.433333
Total energy: -42.771948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.771948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.771948 (E_RNA)
where:
Base-Base interactions energy: -20.430
where: short stacking energy: -19.770
Base-Backbone interact. energy: 1.777
local terms energy: -24.118602
where:
bonds (distance) C4'-P energy: -5.693
bonds (distance) P-C4' energy: -7.276
flat angles C4'-P-C4' energy: 0.294
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -0.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 157
Temperature: 2.450000
Total energy: -32.695731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.695731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.695731 (E_RNA)
where:
Base-Base interactions energy: -4.030
where: short stacking energy: -4.030
Base-Backbone interact. energy: -0.643
local terms energy: -28.022508
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -1.238
tors. eta vs tors. theta energy: 8.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 2.466667
Total energy: -40.217444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.217444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.217444 (E_RNA)
where:
Base-Base interactions energy: -10.630
where: short stacking energy: -8.012
Base-Backbone interact. energy: 1.289
local terms energy: -30.876338
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -8.024
flat angles P-C4'-P energy: -3.367
tors. eta vs tors. theta energy: 7.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 157
Temperature: 2.483333
Total energy: -32.102246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.102246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.102246 (E_RNA)
where:
Base-Base interactions energy: -1.112
where: short stacking energy: -1.112
Base-Backbone interact. energy: -0.307
local terms energy: -30.683667
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -7.190
flat angles P-C4'-P energy: -0.794
tors. eta vs tors. theta energy: 7.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 157
Temperature: 2.500000
Total energy: -37.128635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.128635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.128635 (E_RNA)
where:
Base-Base interactions energy: -3.431
where: short stacking energy: -0.941
Base-Backbone interact. energy: 0.294
local terms energy: -33.990677
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -7.959
flat angles P-C4'-P energy: -8.378
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: 1, replica: 4
=====================================
Write number: 158
Temperature: 2.350000
Total energy: -41.191777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.191777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.191777 (E_RNA)
where:
Base-Base interactions energy: -6.549
where: short stacking energy: -6.549
Base-Backbone interact. energy: -0.986
local terms energy: -33.657022
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -7.460
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: 5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 158
Temperature: 2.366667
Total energy: -41.039007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.039007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.039007 (E_RNA)
where:
Base-Base interactions energy: -7.452
where: short stacking energy: -5.612
Base-Backbone interact. energy: -0.323
local terms energy: -33.263668
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -6.466
flat angles P-C4'-P energy: -8.543
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: 3, replica: 7
=====================================
Write number: 158
Temperature: 2.383333
Total energy: -38.651123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.651123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.651123 (E_RNA)
where:
Base-Base interactions energy: -5.041
where: short stacking energy: -4.749
Base-Backbone interact. energy: -0.440
local terms energy: -33.170298
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -1.512
tors. eta vs tors. theta energy: 7.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 158
Temperature: 2.400000
Total energy: -35.394591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.394591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.394591 (E_RNA)
where:
Base-Base interactions energy: -7.405
where: short stacking energy: -2.668
Base-Backbone interact. energy: -1.018
local terms energy: -26.971424
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -4.784
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: 11.344
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: 1
=====================================
Write number: 158
Temperature: 2.416667
Total energy: -36.273681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.273681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.273681 (E_RNA)
where:
Base-Base interactions energy: -9.156
where: short stacking energy: -7.799
Base-Backbone interact. energy: 4.129
local terms energy: -31.246828
where:
bonds (distance) C4'-P energy: -7.908
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -4.721
flat angles P-C4'-P energy: -6.003
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: 6
=====================================
Write number: 158
Temperature: 2.433333
Total energy: -40.438071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.438071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.438071 (E_RNA)
where:
Base-Base interactions energy: -7.015
where: short stacking energy: -5.429
Base-Backbone interact. energy: -0.466
local terms energy: -32.957021
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -7.335
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: 8.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 158
Temperature: 2.450000
Total energy: -39.223937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.223937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.223937 (E_RNA)
where:
Base-Base interactions energy: -5.192
where: short stacking energy: -5.192
Base-Backbone interact. energy: 0.783
local terms energy: -34.814640
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: 13.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 158
Temperature: 2.466667
Total energy: -43.702131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.702131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.702131 (E_RNA)
where:
Base-Base interactions energy: -19.842
where: short stacking energy: -16.958
Base-Backbone interact. energy: -0.650
local terms energy: -23.209782
where:
bonds (distance) C4'-P energy: -6.497
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -8.744
flat angles P-C4'-P energy: 3.463
tors. eta vs tors. theta energy: 4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 158
Temperature: 2.483333
Total energy: -37.205410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.205410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.205410 (E_RNA)
where:
Base-Base interactions energy: -7.551
where: short stacking energy: -7.651
Base-Backbone interact. energy: -0.112
local terms energy: -29.542131
where:
bonds (distance) C4'-P energy: -2.984
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -6.563
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: 8.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 158
Temperature: 2.500000
Total energy: -39.751863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.751863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.751863 (E_RNA)
where:
Base-Base interactions energy: -12.851
where: short stacking energy: -10.818
Base-Backbone interact. energy: -0.284
local terms energy: -26.617407
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: 3.803
flat angles P-C4'-P energy: -3.940
tors. eta vs tors. theta energy: 4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 159
Temperature: 2.350000
Total energy: -40.537289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.537289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.537289 (E_RNA)
where:
Base-Base interactions energy: -6.638
where: short stacking energy: -3.675
Base-Backbone interact. energy: 0.554
local terms energy: -34.453136
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -6.139
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: 6.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 159
Temperature: 2.366667
Total energy: -35.539691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.539691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.539691 (E_RNA)
where:
Base-Base interactions energy: -6.231
where: short stacking energy: -6.149
Base-Backbone interact. energy: -0.159
local terms energy: -29.150213
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -1.215
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: 9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 159
Temperature: 2.383333
Total energy: -37.117024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.117024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.117024 (E_RNA)
where:
Base-Base interactions energy: -1.869
where: short stacking energy: -1.006
Base-Backbone interact. energy: 0.224
local terms energy: -35.471891
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -8.105
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: 9.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 159
Temperature: 2.400000
Total energy: -36.079352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.079352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.079352 (E_RNA)
where:
Base-Base interactions energy: -10.747
where: short stacking energy: -9.167
Base-Backbone interact. energy: 3.336
local terms energy: -28.667864
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -6.517
flat angles P-C4'-P energy: -3.316
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: 5, replica: 8
=====================================
Write number: 159
Temperature: 2.416667
Total energy: -33.882401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.882401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.882401 (E_RNA)
where:
Base-Base interactions energy: -12.839
where: short stacking energy: -10.917
Base-Backbone interact. energy: -0.019
local terms energy: -21.024714
where:
bonds (distance) C4'-P energy: -5.289
bonds (distance) P-C4' energy: -4.178
flat angles C4'-P-C4' energy: -7.205
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: 2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 159
Temperature: 2.433333
Total energy: -41.100387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.100387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.100387 (E_RNA)
where:
Base-Base interactions energy: -11.363
where: short stacking energy: -7.648
Base-Backbone interact. energy: -0.240
local terms energy: -29.497859
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -7.064
flat angles P-C4'-P energy: -0.664
tors. eta vs tors. theta energy: 4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 159
Temperature: 2.450000
Total energy: -38.528724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.528724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.528724 (E_RNA)
where:
Base-Base interactions energy: -5.154
where: short stacking energy: -4.889
Base-Backbone interact. energy: -0.088
local terms energy: -33.286300
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: 12.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 159
Temperature: 2.466667
Total energy: -42.376937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.376937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.376937 (E_RNA)
where:
Base-Base interactions energy: -10.820
where: short stacking energy: -10.359
Base-Backbone interact. energy: -0.284
local terms energy: -31.273177
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -6.317
flat angles C4'-P-C4' energy: -8.364
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: 3.171
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: 9, replica: 3
=====================================
Write number: 159
Temperature: 2.483333
Total energy: -40.292554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.292554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.292554 (E_RNA)
where:
Base-Base interactions energy: -11.093
where: short stacking energy: -4.587
Base-Backbone interact. energy: -0.378
local terms energy: -28.821759
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -7.015
flat angles C4'-P-C4' energy: -6.527
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: 3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 159
Temperature: 2.500000
Total energy: -42.992563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.992563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.992563 (E_RNA)
where:
Base-Base interactions energy: -7.962
where: short stacking energy: -6.606
Base-Backbone interact. energy: -0.589
local terms energy: -34.441531
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -5.548
tors. eta vs tors. theta energy: 8.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 160
Temperature: 2.350000
Total energy: -37.551486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.551486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.551486 (E_RNA)
where:
Base-Base interactions energy: -1.734
where: short stacking energy: -2.934
Base-Backbone interact. energy: -0.124
local terms energy: -35.692963
where:
bonds (distance) C4'-P energy: -8.407
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -7.331
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: 5.795
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: 4
=====================================
Write number: 160
Temperature: 2.366667
Total energy: -37.081747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.081747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.081747 (E_RNA)
where:
Base-Base interactions energy: -6.897
where: short stacking energy: -5.055
Base-Backbone interact. energy: -0.312
local terms energy: -29.873073
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -5.672
flat angles P-C4'-P energy: -2.434
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: 3, replica: 1
=====================================
Write number: 160
Temperature: 2.383333
Total energy: -42.804754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.804754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.804754 (E_RNA)
where:
Base-Base interactions energy: -11.306
where: short stacking energy: -8.825
Base-Backbone interact. energy: -0.395
local terms energy: -31.103882
where:
bonds (distance) C4'-P energy: -9.457
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -6.911
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: 4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 160
Temperature: 2.400000
Total energy: -38.799341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.799341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.799341 (E_RNA)
where:
Base-Base interactions energy: -11.865
where: short stacking energy: -8.759
Base-Backbone interact. energy: -0.246
local terms energy: -26.688060
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -7.320
flat angles C4'-P-C4' energy: -7.394
flat angles P-C4'-P energy: -2.721
tors. eta vs tors. theta energy: 3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 160
Temperature: 2.416667
Total energy: -37.227481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.227481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.227481 (E_RNA)
where:
Base-Base interactions energy: -11.333
where: short stacking energy: -8.162
Base-Backbone interact. energy: 0.054
local terms energy: -25.947958
where:
bonds (distance) C4'-P energy: -9.852
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -3.434
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: 12.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 2.433333
Total energy: -35.651932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.651932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.651932 (E_RNA)
where:
Base-Base interactions energy: -9.127
where: short stacking energy: -8.065
Base-Backbone interact. energy: 1.806
local terms energy: -28.331297
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -9.843
flat angles C4'-P-C4' energy: -9.479
flat angles P-C4'-P energy: -0.306
tors. eta vs tors. theta energy: 6.078
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: 5
=====================================
Write number: 160
Temperature: 2.450000
Total energy: -37.273202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.273202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.273202 (E_RNA)
where:
Base-Base interactions energy: -8.584
where: short stacking energy: -8.584
Base-Backbone interact. energy: 0.061
local terms energy: -28.750207
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -10.180
flat angles P-C4'-P energy: -4.795
tors. eta vs tors. theta energy: 6.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 2.466667
Total energy: -43.583915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.583915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.583915 (E_RNA)
where:
Base-Base interactions energy: -10.235
where: short stacking energy: -8.879
Base-Backbone interact. energy: -0.226
local terms energy: -33.122218
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -10.043
flat angles C4'-P-C4' energy: -3.469
flat angles P-C4'-P energy: -4.878
tors. eta vs tors. theta energy: 2.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 160
Temperature: 2.483333
Total energy: -39.807193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.807193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.807193 (E_RNA)
where:
Base-Base interactions energy: -8.138
where: short stacking energy: -8.238
Base-Backbone interact. energy: -0.432
local terms energy: -31.237280
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -8.236
flat angles P-C4'-P energy: -4.455
tors. eta vs tors. theta energy: 8.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 160
Temperature: 2.500000
Total energy: -36.371028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.371028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.371028 (E_RNA)
where:
Base-Base interactions energy: -4.973
where: short stacking energy: -4.624
Base-Backbone interact. energy: -0.224
local terms energy: -31.174795
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -2.625
tors. eta vs tors. theta energy: 9.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 161
Temperature: 2.350000
Total energy: -38.034047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.034047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.034047 (E_RNA)
where:
Base-Base interactions energy: -6.322
where: short stacking energy: -4.614
Base-Backbone interact. energy: -0.585
local terms energy: -31.127629
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -10.273
flat angles C4'-P-C4' energy: -7.523
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: 10.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 161
Temperature: 2.366667
Total energy: -38.165830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.165830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.165830 (E_RNA)
where:
Base-Base interactions energy: -15.147
where: short stacking energy: -13.236
Base-Backbone interact. energy: 3.593
local terms energy: -26.611132
where:
bonds (distance) C4'-P energy: -10.593
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -7.100
flat angles P-C4'-P energy: -1.597
tors. eta vs tors. theta energy: 10.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 161
Temperature: 2.383333
Total energy: -42.730240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.730240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.730240 (E_RNA)
where:
Base-Base interactions energy: -11.032
where: short stacking energy: -9.303
Base-Backbone interact. energy: -0.314
local terms energy: -31.383381
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -4.439
tors. eta vs tors. theta energy: 8.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 161
Temperature: 2.400000
Total energy: -38.974018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.974018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.974018 (E_RNA)
where:
Base-Base interactions energy: -8.962
where: short stacking energy: -8.661
Base-Backbone interact. energy: -0.157
local terms energy: -29.854869
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -7.643
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: 4.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 161
Temperature: 2.416667
Total energy: -36.711184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.711184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.711184 (E_RNA)
where:
Base-Base interactions energy: -10.462
where: short stacking energy: -9.694
Base-Backbone interact. energy: -0.157
local terms energy: -26.092353
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -4.591
flat angles P-C4'-P energy: -2.270
tors. eta vs tors. theta energy: 7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 161
Temperature: 2.433333
Total energy: -34.402442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.402442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.402442 (E_RNA)
where:
Base-Base interactions energy: -9.080
where: short stacking energy: -9.080
Base-Backbone interact. energy: 1.738
local terms energy: -27.060537
where:
bonds (distance) C4'-P energy: -3.083
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: 6.339
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: 8
=====================================
Write number: 161
Temperature: 2.450000
Total energy: -40.622585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.622585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.622585 (E_RNA)
where:
Base-Base interactions energy: -9.176
where: short stacking energy: -1.699
Base-Backbone interact. energy: -0.477
local terms energy: -30.970308
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -6.107
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: 10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 161
Temperature: 2.466667
Total energy: -42.942442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.942442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.942442 (E_RNA)
where:
Base-Base interactions energy: -10.434
where: short stacking energy: -10.434
Base-Backbone interact. energy: -0.142
local terms energy: -32.366411
where:
bonds (distance) C4'-P energy: -6.631
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -5.182
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: 9, replica: 6
=====================================
Write number: 161
Temperature: 2.483333
Total energy: -30.752822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.752822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.752822 (E_RNA)
where:
Base-Base interactions energy: -6.345
where: short stacking energy: -4.425
Base-Backbone interact. energy: -0.478
local terms energy: -23.929639
where:
bonds (distance) C4'-P energy: -6.080
bonds (distance) P-C4' energy: -9.583
flat angles C4'-P-C4' energy: -6.237
flat angles P-C4'-P energy: -9.208
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: 10, replica: 3
=====================================
Write number: 161
Temperature: 2.500000
Total energy: -40.927689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.927689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.927689 (E_RNA)
where:
Base-Base interactions energy: -14.110
where: short stacking energy: -14.110
Base-Backbone interact. energy: -0.120
local terms energy: -26.697217
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: 1.936
tors. eta vs tors. theta energy: 3.461
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: 1
=====================================
Write number: 162
Temperature: 2.350000
Total energy: -40.485058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.485058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.485058 (E_RNA)
where:
Base-Base interactions energy: -18.051
where: short stacking energy: -11.447
Base-Backbone interact. energy: -0.285
local terms energy: -22.149399
where:
bonds (distance) C4'-P energy: -5.436
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: 3.537
tors. eta vs tors. theta energy: 6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 162
Temperature: 2.366667
Total energy: -38.511068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.511068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.511068 (E_RNA)
where:
Base-Base interactions energy: -6.590
where: short stacking energy: -1.762
Base-Backbone interact. energy: 1.412
local terms energy: -33.332799
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -4.940
flat angles P-C4'-P energy: -4.493
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: 9
=====================================
Write number: 162
Temperature: 2.383333
Total energy: -37.955586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.955586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.955586 (E_RNA)
where:
Base-Base interactions energy: -7.505
where: short stacking energy: -7.451
Base-Backbone interact. energy: 0.467
local terms energy: -30.917291
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -8.447
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: 3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 162
Temperature: 2.400000
Total energy: -43.311579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.311579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.311579 (E_RNA)
where:
Base-Base interactions energy: -16.627
where: short stacking energy: -12.836
Base-Backbone interact. energy: -0.193
local terms energy: -26.491380
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -9.148
flat angles C4'-P-C4' energy: -3.100
flat angles P-C4'-P energy: -7.782
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: 5, replica: 5
=====================================
Write number: 162
Temperature: 2.416667
Total energy: -36.225441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.225441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.225441 (E_RNA)
where:
Base-Base interactions energy: -5.589
where: short stacking energy: -4.991
Base-Backbone interact. energy: 0.625
local terms energy: -31.261430
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: 11.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 162
Temperature: 2.433333
Total energy: -41.756723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.756723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.756723 (E_RNA)
where:
Base-Base interactions energy: -7.399
where: short stacking energy: -4.006
Base-Backbone interact. energy: 0.850
local terms energy: -35.208332
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -6.737
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: 2
=====================================
Write number: 162
Temperature: 2.450000
Total energy: -36.051002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.051002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.051002 (E_RNA)
where:
Base-Base interactions energy: -2.834
where: short stacking energy: -2.731
Base-Backbone interact. energy: 0.332
local terms energy: -33.548960
where:
bonds (distance) C4'-P energy: -5.980
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -6.485
flat angles P-C4'-P energy: -5.473
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: 8, replica: 8
=====================================
Write number: 162
Temperature: 2.466667
Total energy: -35.664686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.664686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.664686 (E_RNA)
where:
Base-Base interactions energy: -6.517
where: short stacking energy: -5.274
Base-Backbone interact. energy: 0.011
local terms energy: -29.159116
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: 4.380
tors. eta vs tors. theta energy: 6.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 162
Temperature: 2.483333
Total energy: -33.598490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.598490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.598490 (E_RNA)
where:
Base-Base interactions energy: -8.055
where: short stacking energy: -5.493
Base-Backbone interact. energy: -0.332
local terms energy: -25.211572
where:
bonds (distance) C4'-P energy: -6.745
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -8.911
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: 10.623
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: 6
=====================================
Write number: 162
Temperature: 2.500000
Total energy: -40.886708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.886708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.886708 (E_RNA)
where:
Base-Base interactions energy: -9.189
where: short stacking energy: -7.545
Base-Backbone interact. energy: 1.324
local terms energy: -33.021420
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -10.047
flat angles P-C4'-P energy: 1.833
tors. eta vs tors. theta energy: 2.515
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: 1, replica: 1
=====================================
Write number: 163
Temperature: 2.350000
Total energy: -40.243596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.243596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.243596 (E_RNA)
where:
Base-Base interactions energy: -1.092
where: short stacking energy: 0.590
Base-Backbone interact. energy: 0.890
local terms energy: -40.041847
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -4.646
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: 2, replica: 9
=====================================
Write number: 163
Temperature: 2.366667
Total energy: -37.853747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.853747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.853747 (E_RNA)
where:
Base-Base interactions energy: -7.061
where: short stacking energy: -5.802
Base-Backbone interact. energy: -0.355
local terms energy: -30.437646
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -5.837
flat angles P-C4'-P energy: -9.133
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: 3, replica: 7
=====================================
Write number: 163
Temperature: 2.383333
Total energy: -43.749803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.749803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.749803 (E_RNA)
where:
Base-Base interactions energy: -10.813
where: short stacking energy: -8.466
Base-Backbone interact. energy: -0.129
local terms energy: -32.807900
where:
bonds (distance) C4'-P energy: -8.699
bonds (distance) P-C4' energy: -8.834
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: 1.851
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: 5
=====================================
Write number: 163
Temperature: 2.400000
Total energy: -42.068353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.068353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.068353 (E_RNA)
where:
Base-Base interactions energy: -10.849
where: short stacking energy: -9.727
Base-Backbone interact. energy: 0.173
local terms energy: -31.392562
where:
bonds (distance) C4'-P energy: -5.742
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -8.379
flat angles P-C4'-P energy: -3.817
tors. eta vs tors. theta energy: 1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 163
Temperature: 2.416667
Total energy: -35.796878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.796878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.796878 (E_RNA)
where:
Base-Base interactions energy: -12.638
where: short stacking energy: -10.342
Base-Backbone interact. energy: -0.128
local terms energy: -23.030863
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -3.482
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: 12.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 163
Temperature: 2.433333
Total energy: -38.166707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.166707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.166707 (E_RNA)
where:
Base-Base interactions energy: -9.410
where: short stacking energy: -9.410
Base-Backbone interact. energy: 0.033
local terms energy: -28.789978
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -4.740
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: 3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 163
Temperature: 2.450000
Total energy: -39.764514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.764514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.764514 (E_RNA)
where:
Base-Base interactions energy: -4.262
where: short stacking energy: -2.944
Base-Backbone interact. energy: -0.210
local terms energy: -35.292379
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -3.944
tors. eta vs tors. theta energy: 9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 163
Temperature: 2.466667
Total energy: -41.356200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.356200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.356200 (E_RNA)
where:
Base-Base interactions energy: -7.988
where: short stacking energy: -7.574
Base-Backbone interact. energy: -0.306
local terms energy: -33.061762
where:
bonds (distance) C4'-P energy: -9.343
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -5.547
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: 3.714
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: 8
=====================================
Write number: 163
Temperature: 2.483333
Total energy: -36.130434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.130434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.130434 (E_RNA)
where:
Base-Base interactions energy: -7.443
where: short stacking energy: -5.261
Base-Backbone interact. energy: 2.991
local terms energy: -31.678735
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -8.783
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: 9.215
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: 6
=====================================
Write number: 163
Temperature: 2.500000
Total energy: -36.966772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.966772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.966772 (E_RNA)
where:
Base-Base interactions energy: -2.748
where: short stacking energy: -2.366
Base-Backbone interact. energy: 0.148
local terms energy: -34.367349
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -5.360
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: 5.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 164
Temperature: 2.350000
Total energy: -37.459537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.459537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.459537 (E_RNA)
where:
Base-Base interactions energy: -13.663
where: short stacking energy: -13.663
Base-Backbone interact. energy: 0.642
local terms energy: -24.438591
where:
bonds (distance) C4'-P energy: -2.087
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -7.859
flat angles P-C4'-P energy: -1.827
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: 2, replica: 1
=====================================
Write number: 164
Temperature: 2.366667
Total energy: -35.660993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.660993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.660993 (E_RNA)
where:
Base-Base interactions energy: -3.681
where: short stacking energy: -3.223
Base-Backbone interact. energy: 1.681
local terms energy: -33.660867
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: 16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 164
Temperature: 2.383333
Total energy: -42.097793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.097793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.097793 (E_RNA)
where:
Base-Base interactions energy: -16.004
where: short stacking energy: -13.280
Base-Backbone interact. energy: 2.260
local terms energy: -28.353269
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -9.120
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: 10.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 164
Temperature: 2.400000
Total energy: -39.621851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.621851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.621851 (E_RNA)
where:
Base-Base interactions energy: -4.956
where: short stacking energy: -3.987
Base-Backbone interact. energy: -0.027
local terms energy: -34.638652
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -9.099
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: 7.020
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: 2
=====================================
Write number: 164
Temperature: 2.416667
Total energy: -36.357414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.357414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.357414 (E_RNA)
where:
Base-Base interactions energy: 1.785
where: short stacking energy: 1.785
Base-Backbone interact. energy: -0.808
local terms energy: -37.334054
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -10.440
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: 8.884
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: 6, replica: 4
=====================================
Write number: 164
Temperature: 2.433333
Total energy: -40.207397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.207397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.207397 (E_RNA)
where:
Base-Base interactions energy: -2.315
where: short stacking energy: -1.777
Base-Backbone interact. energy: -0.116
local terms energy: -37.776012
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: 7.448
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: 3
=====================================
Write number: 164
Temperature: 2.450000
Total energy: -36.485364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.485364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.485364 (E_RNA)
where:
Base-Base interactions energy: -3.851
where: short stacking energy: -3.851
Base-Backbone interact. energy: 1.428
local terms energy: -34.062100
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: 2.304
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: 1.873
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: 10
=====================================
Write number: 164
Temperature: 2.466667
Total energy: -39.661193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.661193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.661193 (E_RNA)
where:
Base-Base interactions energy: -12.620
where: short stacking energy: -11.835
Base-Backbone interact. energy: -0.038
local terms energy: -27.003618
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -3.554
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: 8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 2.483333
Total energy: -40.629943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.629943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.629943 (E_RNA)
where:
Base-Base interactions energy: 0.298
where: short stacking energy: 3.897
Base-Backbone interact. energy: -0.271
local terms energy: -40.657315
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -2.908
tors. eta vs tors. theta energy: 6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 164
Temperature: 2.500000
Total energy: -34.277910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.277910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.277910 (E_RNA)
where:
Base-Base interactions energy: -4.373
where: short stacking energy: -1.859
Base-Backbone interact. energy: -0.873
local terms energy: -29.031897
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -6.529
flat angles P-C4'-P energy: -2.105
tors. eta vs tors. theta energy: 6.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 165
Temperature: 2.350000
Total energy: -38.784282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.784282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.784282 (E_RNA)
where:
Base-Base interactions energy: -6.151
where: short stacking energy: -6.048
Base-Backbone interact. energy: -0.548
local terms energy: -32.084974
where:
bonds (distance) C4'-P energy: -6.241
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: 6.146
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: 2, replica: 5
=====================================
Write number: 165
Temperature: 2.366667
Total energy: -43.837599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.837599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.837599 (E_RNA)
where:
Base-Base interactions energy: -9.887
where: short stacking energy: -9.887
Base-Backbone interact. energy: -0.188
local terms energy: -33.762233
where:
bonds (distance) C4'-P energy: -7.994
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -5.370
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: 3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 165
Temperature: 2.383333
Total energy: -39.770635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.770635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.770635 (E_RNA)
where:
Base-Base interactions energy: -7.920
where: short stacking energy: -7.386
Base-Backbone interact. energy: -0.194
local terms energy: -31.657100
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -4.521
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: 4, replica: 2
=====================================
Write number: 165
Temperature: 2.400000
Total energy: -36.778354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.778354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.778354 (E_RNA)
where:
Base-Base interactions energy: -7.596
where: short stacking energy: -6.344
Base-Backbone interact. energy: -0.531
local terms energy: -28.651234
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: 4.102
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: 5, replica: 7
=====================================
Write number: 165
Temperature: 2.416667
Total energy: -37.938653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.938653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.938653 (E_RNA)
where:
Base-Base interactions energy: -15.562
where: short stacking energy: -13.738
Base-Backbone interact. energy: 0.012
local terms energy: -22.388837
where:
bonds (distance) C4'-P energy: -1.299
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: 7.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 2.433333
Total energy: -36.524076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.524076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.524076 (E_RNA)
where:
Base-Base interactions energy: -0.980
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.335
local terms energy: -35.208792
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -4.567
flat angles P-C4'-P energy: -7.353
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: 7, replica: 4
=====================================
Write number: 165
Temperature: 2.450000
Total energy: -35.646661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.646661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.646661 (E_RNA)
where:
Base-Base interactions energy: -4.613
where: short stacking energy: -4.047
Base-Backbone interact. energy: 0.257
local terms energy: -31.289984
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -3.504
flat angles P-C4'-P energy: -3.929
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: 8, replica: 6
=====================================
Write number: 165
Temperature: 2.466667
Total energy: -36.737414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.737414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.737414 (E_RNA)
where:
Base-Base interactions energy: -15.756
where: short stacking energy: -15.756
Base-Backbone interact. energy: -0.346
local terms energy: -20.634971
where:
bonds (distance) C4'-P energy: -6.188
bonds (distance) P-C4' energy: -8.231
flat angles C4'-P-C4' energy: -1.742
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: 2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 165
Temperature: 2.483333
Total energy: -34.787911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.787911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.787911 (E_RNA)
where:
Base-Base interactions energy: -6.962
where: short stacking energy: -4.433
Base-Backbone interact. energy: 0.135
local terms energy: -27.961243
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -4.283
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: 5.116
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: 165
Temperature: 2.500000
Total energy: -39.917248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.917248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.917248 (E_RNA)
where:
Base-Base interactions energy: -7.979
where: short stacking energy: -7.381
Base-Backbone interact. energy: -0.238
local terms energy: -31.699576
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -7.717
flat angles P-C4'-P energy: -3.676
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: 1, replica: 5
=====================================
Write number: 166
Temperature: 2.350000
Total energy: -46.355371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.355371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.355371 (E_RNA)
where:
Base-Base interactions energy: -5.808
where: short stacking energy: -5.117
Base-Backbone interact. energy: 1.486
local terms energy: -42.033604
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: 5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 166
Temperature: 2.366667
Total energy: -40.260809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.260809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.260809 (E_RNA)
where:
Base-Base interactions energy: -10.272
where: short stacking energy: -10.272
Base-Backbone interact. energy: -0.375
local terms energy: -29.613028
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -5.488
flat angles P-C4'-P energy: -4.236
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: 3, replica: 2
=====================================
Write number: 166
Temperature: 2.383333
Total energy: -42.719166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.719166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.719166 (E_RNA)
where:
Base-Base interactions energy: -11.616
where: short stacking energy: -10.324
Base-Backbone interact. energy: -0.164
local terms energy: -30.939195
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -5.562
flat angles P-C4'-P energy: -1.672
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: 4, replica: 1
=====================================
Write number: 166
Temperature: 2.400000
Total energy: -44.515327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.515327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.515327 (E_RNA)
where:
Base-Base interactions energy: -12.976
where: short stacking energy: -11.545
Base-Backbone interact. energy: 1.998
local terms energy: -33.537780
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -10.195
flat angles C4'-P-C4' energy: -5.326
flat angles P-C4'-P energy: -4.335
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: 5, replica: 3
=====================================
Write number: 166
Temperature: 2.416667
Total energy: -41.308390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.308390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.308390 (E_RNA)
where:
Base-Base interactions energy: -7.034
where: short stacking energy: -7.034
Base-Backbone interact. energy: 1.500
local terms energy: -35.774320
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -2.736
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: 6.420
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: 7
=====================================
Write number: 166
Temperature: 2.433333
Total energy: -35.811199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.811199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.811199 (E_RNA)
where:
Base-Base interactions energy: -11.005
where: short stacking energy: -10.967
Base-Backbone interact. energy: -0.146
local terms energy: -24.660814
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: 9.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 166
Temperature: 2.450000
Total energy: -40.933746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.933746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.933746 (E_RNA)
where:
Base-Base interactions energy: -11.338
where: short stacking energy: -10.386
Base-Backbone interact. energy: 1.306
local terms energy: -30.901889
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -9.813
flat angles C4'-P-C4' energy: -4.330
flat angles P-C4'-P energy: -7.620
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: 8, replica: 4
=====================================
Write number: 166
Temperature: 2.466667
Total energy: -36.686704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.686704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.686704 (E_RNA)
where:
Base-Base interactions energy: -6.388
where: short stacking energy: -6.388
Base-Backbone interact. energy: -0.255
local terms energy: -30.043623
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -4.301
flat angles P-C4'-P energy: -2.686
tors. eta vs tors. theta energy: 2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 2.483333
Total energy: -31.369716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.369716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.369716 (E_RNA)
where:
Base-Base interactions energy: -1.179
where: short stacking energy: -0.248
Base-Backbone interact. energy: -0.001
local terms energy: -30.189484
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -1.058
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: 5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 2.500000
Total energy: -36.567015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.567015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.567015 (E_RNA)
where:
Base-Base interactions energy: -5.378
where: short stacking energy: -4.372
Base-Backbone interact. energy: -0.508
local terms energy: -30.681043
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -7.248
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -0.765
tors. eta vs tors. theta energy: 6.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 2.350000
Total energy: -38.377343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.377343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.377343 (E_RNA)
where:
Base-Base interactions energy: -11.026
where: short stacking energy: -9.160
Base-Backbone interact. energy: -0.275
local terms energy: -27.076111
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -2.453
flat angles P-C4'-P energy: -2.605
tors. eta vs tors. theta energy: 8.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 167
Temperature: 2.366667
Total energy: -37.947095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.947095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.947095 (E_RNA)
where:
Base-Base interactions energy: -10.295
where: short stacking energy: -7.674
Base-Backbone interact. energy: -0.279
local terms energy: -27.373071
where:
bonds (distance) C4'-P energy: -7.225
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -7.241
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: 6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 167
Temperature: 2.383333
Total energy: -32.321305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.321305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.321305 (E_RNA)
where:
Base-Base interactions energy: -4.463
where: short stacking energy: -3.194
Base-Backbone interact. energy: 0.894
local terms energy: -28.752467
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -3.297
flat angles P-C4'-P energy: -2.195
tors. eta vs tors. theta energy: 5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 2.400000
Total energy: -39.492646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.492646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.492646 (E_RNA)
where:
Base-Base interactions energy: -6.644
where: short stacking energy: -6.333
Base-Backbone interact. energy: 0.538
local terms energy: -33.386283
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -8.332
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: 7.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 167
Temperature: 2.416667
Total energy: -32.732637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.732637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.732637 (E_RNA)
where:
Base-Base interactions energy: -6.136
where: short stacking energy: -5.033
Base-Backbone interact. energy: -0.481
local terms energy: -26.115720
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -3.483
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: 9.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 167
Temperature: 2.433333
Total energy: -34.868848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.868848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.868848 (E_RNA)
where:
Base-Base interactions energy: -1.037
where: short stacking energy: -1.437
Base-Backbone interact. energy: -0.477
local terms energy: -33.354969
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -0.196
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: 7, replica: 7
=====================================
Write number: 167
Temperature: 2.450000
Total energy: -35.062857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.062857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.062857 (E_RNA)
where:
Base-Base interactions energy: -1.004
where: short stacking energy: -0.601
Base-Backbone interact. energy: 1.957
local terms energy: -36.015456
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -10.196
flat angles C4'-P-C4' energy: -6.497
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: 2.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 167
Temperature: 2.466667
Total energy: -37.369214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.369214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.369214 (E_RNA)
where:
Base-Base interactions energy: -6.929
where: short stacking energy: -5.166
Base-Backbone interact. energy: 0.656
local terms energy: -31.095683
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -1.178
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: 4.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 167
Temperature: 2.483333
Total energy: -38.351185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.351185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.351185 (E_RNA)
where:
Base-Base interactions energy: -10.605
where: short stacking energy: -10.605
Base-Backbone interact. energy: -0.104
local terms energy: -27.641920
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -9.532
flat angles C4'-P-C4' energy: -6.623
flat angles P-C4'-P energy: 0.317
tors. eta vs tors. theta energy: -0.442
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: 10
=====================================
Write number: 167
Temperature: 2.500000
Total energy: -37.368898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.368898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.368898 (E_RNA)
where:
Base-Base interactions energy: -12.415
where: short stacking energy: -8.545
Base-Backbone interact. energy: -0.172
local terms energy: -24.781467
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: 0.681
flat angles P-C4'-P energy: -4.135
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: 1, replica: 2
=====================================
Write number: 168
Temperature: 2.350000
Total energy: -36.406728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.406728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.406728 (E_RNA)
where:
Base-Base interactions energy: -11.911
where: short stacking energy: -11.902
Base-Backbone interact. energy: -0.408
local terms energy: -24.088242
where:
bonds (distance) C4'-P energy: -6.540
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: 2.784
tors. eta vs tors. theta energy: 1.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 168
Temperature: 2.366667
Total energy: -48.365565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.365565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.365565 (E_RNA)
where:
Base-Base interactions energy: -11.001
where: short stacking energy: -9.345
Base-Backbone interact. energy: 0.547
local terms energy: -37.912324
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -10.183
flat angles P-C4'-P energy: -10.933
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: 3, replica: 3
=====================================
Write number: 168
Temperature: 2.383333
Total energy: -42.269238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.269238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.269238 (E_RNA)
where:
Base-Base interactions energy: -11.234
where: short stacking energy: -10.168
Base-Backbone interact. energy: 0.353
local terms energy: -31.388330
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -9.290
flat angles C4'-P-C4' energy: -5.749
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: 4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 2.400000
Total energy: -32.209279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.209279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.209279 (E_RNA)
where:
Base-Base interactions energy: -6.789
where: short stacking energy: -1.558
Base-Backbone interact. energy: -0.345
local terms energy: -25.075031
where:
bonds (distance) C4'-P energy: -8.683
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -3.121
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: 7.728
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: 6
=====================================
Write number: 168
Temperature: 2.416667
Total energy: -39.829004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.829004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.829004 (E_RNA)
where:
Base-Base interactions energy: -3.436
where: short stacking energy: -2.081
Base-Backbone interact. energy: 0.275
local terms energy: -36.667759
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -8.987
flat angles P-C4'-P energy: -1.707
tors. eta vs tors. theta energy: 1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 168
Temperature: 2.433333
Total energy: -36.641754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.641754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.641754 (E_RNA)
where:
Base-Base interactions energy: -3.383
where: short stacking energy: -2.248
Base-Backbone interact. energy: -0.362
local terms energy: -32.896659
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: 4.937
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: 7, replica: 4
=====================================
Write number: 168
Temperature: 2.450000
Total energy: -43.182063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.182063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.182063 (E_RNA)
where:
Base-Base interactions energy: -11.984
where: short stacking energy: -11.633
Base-Backbone interact. energy: -0.018
local terms energy: -31.179884
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -8.232
flat angles P-C4'-P energy: -1.725
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: 8, replica: 7
=====================================
Write number: 168
Temperature: 2.466667
Total energy: -35.145787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.145787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.145787 (E_RNA)
where:
Base-Base interactions energy: -5.338
where: short stacking energy: -5.338
Base-Backbone interact. energy: -0.185
local terms energy: -29.622550
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -0.559
tors. eta vs tors. theta energy: 6.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 168
Temperature: 2.483333
Total energy: -40.906023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.906023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.906023 (E_RNA)
where:
Base-Base interactions energy: -10.158
where: short stacking energy: -10.158
Base-Backbone interact. energy: 2.371
local terms energy: -33.119141
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -3.654
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: 10, replica: 8
=====================================
Write number: 168
Temperature: 2.500000
Total energy: -33.972206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.972206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.972206 (E_RNA)
where:
Base-Base interactions energy: -2.275
where: short stacking energy: -3.610
Base-Backbone interact. energy: -0.397
local terms energy: -31.300306
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -9.705
flat angles C4'-P-C4' energy: -8.893
flat angles P-C4'-P energy: 1.758
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: 1, replica: 2
=====================================
Write number: 169
Temperature: 2.350000
Total energy: -37.739927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.739927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.739927 (E_RNA)
where:
Base-Base interactions energy: -3.969
where: short stacking energy: -3.969
Base-Backbone interact. energy: -0.262
local terms energy: -33.508844
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -8.916
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -4.412
tors. eta vs tors. theta energy: 6.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 169
Temperature: 2.366667
Total energy: -34.598387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.598387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.598387 (E_RNA)
where:
Base-Base interactions energy: -5.212
where: short stacking energy: -3.036
Base-Backbone interact. energy: 2.493
local terms energy: -31.880097
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -11.565
flat angles C4'-P-C4' energy: -9.907
flat angles P-C4'-P energy: -6.759
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: 3, replica: 5
=====================================
Write number: 169
Temperature: 2.383333
Total energy: -40.604620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.604620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.604620 (E_RNA)
where:
Base-Base interactions energy: -12.081
where: short stacking energy: -9.595
Base-Backbone interact. energy: -0.181
local terms energy: -28.342516
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: 2.215
tors. eta vs tors. theta energy: 8.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 169
Temperature: 2.400000
Total energy: -45.545666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.545666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.545666 (E_RNA)
where:
Base-Base interactions energy: -6.818
where: short stacking energy: -6.795
Base-Backbone interact. energy: 1.249
local terms energy: -39.976588
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: 3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 169
Temperature: 2.416667
Total energy: -37.431941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.431941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.431941 (E_RNA)
where:
Base-Base interactions energy: -7.807
where: short stacking energy: -5.185
Base-Backbone interact. energy: -0.168
local terms energy: -29.457338
where:
bonds (distance) C4'-P energy: -2.783
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -8.271
flat angles P-C4'-P energy: -5.801
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: 6, replica: 4
=====================================
Write number: 169
Temperature: 2.433333
Total energy: -36.809558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.809558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.809558 (E_RNA)
where:
Base-Base interactions energy: -6.477
where: short stacking energy: -6.477
Base-Backbone interact. energy: 0.384
local terms energy: -30.716308
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -10.935
flat angles C4'-P-C4' energy: -6.557
flat angles P-C4'-P energy: -2.088
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: 7, replica: 1
=====================================
Write number: 169
Temperature: 2.450000
Total energy: -39.074599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.074599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.074599 (E_RNA)
where:
Base-Base interactions energy: -12.050
where: short stacking energy: -11.663
Base-Backbone interact. energy: -0.082
local terms energy: -26.942408
where:
bonds (distance) C4'-P energy: -0.298
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -7.608
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: 8, replica: 10
=====================================
Write number: 169
Temperature: 2.466667
Total energy: -35.018418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.018418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.018418 (E_RNA)
where:
Base-Base interactions energy: -11.642
where: short stacking energy: -7.575
Base-Backbone interact. energy: -0.306
local terms energy: -23.070808
where:
bonds (distance) C4'-P energy: -4.985
bonds (distance) P-C4' energy: -7.042
flat angles C4'-P-C4' energy: -6.345
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: 7.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 169
Temperature: 2.483333
Total energy: -33.731543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.731543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.731543 (E_RNA)
where:
Base-Base interactions energy: -13.112
where: short stacking energy: -11.128
Base-Backbone interact. energy: 0.112
local terms energy: -20.732110
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -8.250
flat angles C4'-P-C4' energy: -5.978
flat angles P-C4'-P energy: -1.779
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: 10, replica: 8
=====================================
Write number: 169
Temperature: 2.500000
Total energy: -33.914227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.914227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.914227 (E_RNA)
where:
Base-Base interactions energy: -5.567
where: short stacking energy: -5.567
Base-Backbone interact. energy: 0.638
local terms energy: -28.984880
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -7.688
flat angles P-C4'-P energy: 1.872
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: 1, replica: 3
=====================================
Write number: 170
Temperature: 2.350000
Total energy: -43.378297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.378297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.378297 (E_RNA)
where:
Base-Base interactions energy: -0.732
where: short stacking energy: -1.287
Base-Backbone interact. energy: -0.547
local terms energy: -42.098915
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -3.900
tors. eta vs tors. theta energy: 7.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 2.366667
Total energy: -35.718641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.718641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.718641 (E_RNA)
where:
Base-Base interactions energy: -8.146
where: short stacking energy: -6.895
Base-Backbone interact. energy: 1.079
local terms energy: -28.651734
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: 6.970
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: 6
=====================================
Write number: 170
Temperature: 2.383333
Total energy: -35.425746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.425746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.425746 (E_RNA)
where:
Base-Base interactions energy: -14.711
where: short stacking energy: -14.010
Base-Backbone interact. energy: 0.724
local terms energy: -21.438677
where:
bonds (distance) C4'-P energy: -7.591
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -6.909
flat angles P-C4'-P energy: -1.544
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: 5
=====================================
Write number: 170
Temperature: 2.400000
Total energy: -33.182576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.182576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.182576 (E_RNA)
where:
Base-Base interactions energy: -8.390
where: short stacking energy: -7.808
Base-Backbone interact. energy: -0.243
local terms energy: -24.549572
where:
bonds (distance) C4'-P energy: -4.702
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -6.579
flat angles P-C4'-P energy: -6.353
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: 5, replica: 4
=====================================
Write number: 170
Temperature: 2.416667
Total energy: -42.488393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.488393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.488393 (E_RNA)
where:
Base-Base interactions energy: -5.788
where: short stacking energy: -2.319
Base-Backbone interact. energy: -0.265
local terms energy: -36.435026
where:
bonds (distance) C4'-P energy: -6.923
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -4.029
tors. eta vs tors. theta energy: 4.222
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: 6, replica: 9
=====================================
Write number: 170
Temperature: 2.433333
Total energy: -32.304552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.304552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.304552 (E_RNA)
where:
Base-Base interactions energy: -3.195
where: short stacking energy: -3.195
Base-Backbone interact. energy: -0.121
local terms energy: -28.988857
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -7.414
flat angles P-C4'-P energy: -0.234
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: 7, replica: 10
=====================================
Write number: 170
Temperature: 2.450000
Total energy: -45.000227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.000227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.000227 (E_RNA)
where:
Base-Base interactions energy: -13.855
where: short stacking energy: -9.833
Base-Backbone interact. energy: -0.443
local terms energy: -30.702235
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: 3.754
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: 8, replica: 1
=====================================
Write number: 170
Temperature: 2.466667
Total energy: -36.646374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.646374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.646374 (E_RNA)
where:
Base-Base interactions energy: -6.664
where: short stacking energy: -6.664
Base-Backbone interact. energy: -0.280
local terms energy: -29.702414
where:
bonds (distance) C4'-P energy: -8.680
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -8.948
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: 10.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 170
Temperature: 2.483333
Total energy: -44.357104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.357104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.357104 (E_RNA)
where:
Base-Base interactions energy: -5.486
where: short stacking energy: -3.822
Base-Backbone interact. energy: -0.620
local terms energy: -38.251653
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -4.015
tors. eta vs tors. theta energy: 9.261
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: 10, replica: 7
=====================================
Write number: 170
Temperature: 2.500000
Total energy: -30.004907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.004907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.004907 (E_RNA)
where:
Base-Base interactions energy: -3.637
where: short stacking energy: -2.208
Base-Backbone interact. energy: -0.159
local terms energy: -26.208059
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -3.504
flat angles P-C4'-P energy: -4.692
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: 1, replica: 3
=====================================
Write number: 171
Temperature: 2.350000
Total energy: -36.856763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.856763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.856763 (E_RNA)
where:
Base-Base interactions energy: -3.357
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.239
local terms energy: -33.260532
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -7.046
flat angles P-C4'-P energy: -9.129
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: 2, replica: 6
=====================================
Write number: 171
Temperature: 2.366667
Total energy: -40.047131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.047131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.047131 (E_RNA)
where:
Base-Base interactions energy: -6.856
where: short stacking energy: -4.413
Base-Backbone interact. energy: -0.377
local terms energy: -32.813456
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -3.394
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: 2
=====================================
Write number: 171
Temperature: 2.383333
Total energy: -39.978523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.978523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.978523 (E_RNA)
where:
Base-Base interactions energy: -9.615
where: short stacking energy: -9.615
Base-Backbone interact. energy: -0.435
local terms energy: -29.929271
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -8.538
flat angles P-C4'-P energy: -0.551
tors. eta vs tors. theta energy: 7.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 171
Temperature: 2.400000
Total energy: -35.723534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.723534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.723534 (E_RNA)
where:
Base-Base interactions energy: -7.431
where: short stacking energy: -7.431
Base-Backbone interact. energy: -0.475
local terms energy: -27.816836
where:
bonds (distance) C4'-P energy: -10.084
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -8.492
flat angles P-C4'-P energy: -0.829
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: 5
=====================================
Write number: 171
Temperature: 2.416667
Total energy: -38.811170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.811170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.811170 (E_RNA)
where:
Base-Base interactions energy: -10.067
where: short stacking energy: -6.593
Base-Backbone interact. energy: 2.374
local terms energy: -31.118500
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -8.375
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: 8.192
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: 171
Temperature: 2.433333
Total energy: -40.225793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.225793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.225793 (E_RNA)
where:
Base-Base interactions energy: -8.343
where: short stacking energy: -8.343
Base-Backbone interact. energy: 0.212
local terms energy: -32.094537
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -8.241
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: 11.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 171
Temperature: 2.450000
Total energy: -37.358443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.358443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.358443 (E_RNA)
where:
Base-Base interactions energy: -5.566
where: short stacking energy: -5.566
Base-Backbone interact. energy: -0.938
local terms energy: -30.854407
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -8.349
flat angles P-C4'-P energy: -2.401
tors. eta vs tors. theta energy: 10.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 171
Temperature: 2.466667
Total energy: -34.806975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.806975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.806975 (E_RNA)
where:
Base-Base interactions energy: -6.726
where: short stacking energy: -5.285
Base-Backbone interact. energy: -0.256
local terms energy: -27.825128
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -5.788
flat angles P-C4'-P energy: -3.692
tors. eta vs tors. theta energy: 8.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 171
Temperature: 2.483333
Total energy: -39.528232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.528232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.528232 (E_RNA)
where:
Base-Base interactions energy: -12.838
where: short stacking energy: -12.838
Base-Backbone interact. energy: -0.259
local terms energy: -26.431732
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -3.803
flat angles P-C4'-P energy: -1.563
tors. eta vs tors. theta energy: 9.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 171
Temperature: 2.500000
Total energy: -33.157456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.157456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.157456 (E_RNA)
where:
Base-Base interactions energy: -9.888
where: short stacking energy: -8.284
Base-Backbone interact. energy: -0.367
local terms energy: -22.902232
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: 2.820
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: 1, replica: 6
=====================================
Write number: 172
Temperature: 2.350000
Total energy: -38.113967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.113967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.113967 (E_RNA)
where:
Base-Base interactions energy: -5.995
where: short stacking energy: -5.412
Base-Backbone interact. energy: -0.310
local terms energy: -31.808786
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -0.270
flat angles P-C4'-P energy: -5.772
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: 2, replica: 3
=====================================
Write number: 172
Temperature: 2.366667
Total energy: -34.912103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.912103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.912103 (E_RNA)
where:
Base-Base interactions energy: -10.882
where: short stacking energy: -8.528
Base-Backbone interact. energy: -0.529
local terms energy: -23.500834
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -5.624
flat angles C4'-P-C4' energy: -7.979
flat angles P-C4'-P energy: -2.521
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: 3, replica: 4
=====================================
Write number: 172
Temperature: 2.383333
Total energy: -39.613501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.613501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.613501 (E_RNA)
where:
Base-Base interactions energy: -6.417
where: short stacking energy: -4.749
Base-Backbone interact. energy: 5.462
local terms energy: -38.658701
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: 9.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 2.400000
Total energy: -36.294703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.294703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.294703 (E_RNA)
where:
Base-Base interactions energy: -3.328
where: short stacking energy: -3.328
Base-Backbone interact. energy: -0.436
local terms energy: -32.531008
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -6.037
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: 9.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 172
Temperature: 2.416667
Total energy: -43.686239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.686239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.686239 (E_RNA)
where:
Base-Base interactions energy: -4.269
where: short stacking energy: -4.253
Base-Backbone interact. energy: -0.157
local terms energy: -39.260941
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -3.670
tors. eta vs tors. theta energy: 6.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 172
Temperature: 2.433333
Total energy: -42.045845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.045845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.045845 (E_RNA)
where:
Base-Base interactions energy: -7.106
where: short stacking energy: -5.335
Base-Backbone interact. energy: -0.477
local terms energy: -34.462353
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -0.356
tors. eta vs tors. theta energy: 3.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 172
Temperature: 2.450000
Total energy: -35.007987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.007987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.007987 (E_RNA)
where:
Base-Base interactions energy: -4.255
where: short stacking energy: -4.255
Base-Backbone interact. energy: 0.867
local terms energy: -31.619784
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -1.527
tors. eta vs tors. theta energy: 10.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 172
Temperature: 2.466667
Total energy: -30.252517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.252517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.252517 (E_RNA)
where:
Base-Base interactions energy: -9.694
where: short stacking energy: -9.694
Base-Backbone interact. energy: -0.225
local terms energy: -20.333983
where:
bonds (distance) C4'-P energy: -3.989
bonds (distance) P-C4' energy: -6.074
flat angles C4'-P-C4' energy: -7.942
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: 4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 2.483333
Total energy: -37.038131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.038131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.038131 (E_RNA)
where:
Base-Base interactions energy: -6.542
where: short stacking energy: -5.430
Base-Backbone interact. energy: -0.049
local terms energy: -30.447976
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -6.893
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: 7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 172
Temperature: 2.500000
Total energy: -33.318964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.318964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.318964 (E_RNA)
where:
Base-Base interactions energy: -6.000
where: short stacking energy: -5.104
Base-Backbone interact. energy: -1.028
local terms energy: -26.290832
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -0.486
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: 11.206
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: 6
=====================================
Write number: 173
Temperature: 2.350000
Total energy: -47.472126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.472126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.472126 (E_RNA)
where:
Base-Base interactions energy: -13.105
where: short stacking energy: -12.026
Base-Backbone interact. energy: -0.469
local terms energy: -33.897967
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -8.075
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -5.782
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: 4
=====================================
Write number: 173
Temperature: 2.366667
Total energy: -38.515544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.515544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.515544 (E_RNA)
where:
Base-Base interactions energy: -3.297
where: short stacking energy: -3.267
Base-Backbone interact. energy: -0.406
local terms energy: -34.812918
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -4.225
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: 7.976
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: 3, replica: 3
=====================================
Write number: 173
Temperature: 2.383333
Total energy: -39.438456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.438456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.438456 (E_RNA)
where:
Base-Base interactions energy: -9.622
where: short stacking energy: -9.595
Base-Backbone interact. energy: -0.618
local terms energy: -29.197880
where:
bonds (distance) C4'-P energy: -5.629
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -8.468
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: 1.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 173
Temperature: 2.400000
Total energy: -36.189545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.189545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.189545 (E_RNA)
where:
Base-Base interactions energy: -6.406
where: short stacking energy: -2.408
Base-Backbone interact. energy: -0.297
local terms energy: -29.486360
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: 4.309
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: 2
=====================================
Write number: 173
Temperature: 2.416667
Total energy: -32.856304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.856304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.856304 (E_RNA)
where:
Base-Base interactions energy: -7.378
where: short stacking energy: -7.378
Base-Backbone interact. energy: -0.286
local terms energy: -25.192211
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -9.338
flat angles C4'-P-C4' energy: -1.353
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: 8.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 173
Temperature: 2.433333
Total energy: -41.575492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.575492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.575492 (E_RNA)
where:
Base-Base interactions energy: -7.225
where: short stacking energy: -7.225
Base-Backbone interact. energy: 2.113
local terms energy: -36.463455
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -5.601
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: 7, replica: 5
=====================================
Write number: 173
Temperature: 2.450000
Total energy: -43.144469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.144469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.144469 (E_RNA)
where:
Base-Base interactions energy: -2.319
where: short stacking energy: -2.519
Base-Backbone interact. energy: -0.516
local terms energy: -40.310020
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -8.551
flat angles P-C4'-P energy: -4.354
tors. eta vs tors. theta energy: 4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 2.466667
Total energy: -35.813685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.813685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.813685 (E_RNA)
where:
Base-Base interactions energy: -5.043
where: short stacking energy: -2.873
Base-Backbone interact. energy: 4.430
local terms energy: -35.201157
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -0.066
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: 9, replica: 9
=====================================
Write number: 173
Temperature: 2.483333
Total energy: -35.557695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.557695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.557695 (E_RNA)
where:
Base-Base interactions energy: -7.529
where: short stacking energy: -6.750
Base-Backbone interact. energy: -0.278
local terms energy: -27.750988
where:
bonds (distance) C4'-P energy: -6.941
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: 8.086
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: 1
=====================================
Write number: 173
Temperature: 2.500000
Total energy: -34.581998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.581998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.581998 (E_RNA)
where:
Base-Base interactions energy: -2.089
where: short stacking energy: -2.816
Base-Backbone interact. energy: -0.039
local terms energy: -32.453953
where:
bonds (distance) C4'-P energy: 1.743
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: 5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 2.350000
Total energy: -39.453141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.453141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.453141 (E_RNA)
where:
Base-Base interactions energy: -10.449
where: short stacking energy: -9.177
Base-Backbone interact. energy: 2.406
local terms energy: -31.410669
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -6.113
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: 6.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 174
Temperature: 2.366667
Total energy: -36.633367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.633367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.633367 (E_RNA)
where:
Base-Base interactions energy: -10.733
where: short stacking energy: -5.537
Base-Backbone interact. energy: -0.336
local terms energy: -25.564617
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -4.143
flat angles P-C4'-P energy: -0.259
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: 3, replica: 10
=====================================
Write number: 174
Temperature: 2.383333
Total energy: -39.330783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.330783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.330783 (E_RNA)
where:
Base-Base interactions energy: -9.931
where: short stacking energy: -9.660
Base-Backbone interact. energy: -0.202
local terms energy: -29.197533
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -0.772
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: 6.475
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: 3
=====================================
Write number: 174
Temperature: 2.400000
Total energy: -48.426292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.426292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.426292 (E_RNA)
where:
Base-Base interactions energy: -10.308
where: short stacking energy: -9.804
Base-Backbone interact. energy: 0.014
local terms energy: -38.131770
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -9.735
flat angles C4'-P-C4' energy: -7.362
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: 0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 174
Temperature: 2.416667
Total energy: -34.700843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.700843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.700843 (E_RNA)
where:
Base-Base interactions energy: -2.197
where: short stacking energy: -0.552
Base-Backbone interact. energy: -1.134
local terms energy: -31.369289
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -6.816
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: 11.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 174
Temperature: 2.433333
Total energy: -40.751491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.751491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.751491 (E_RNA)
where:
Base-Base interactions energy: -9.245
where: short stacking energy: -5.496
Base-Backbone interact. energy: -0.353
local terms energy: -31.153877
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -2.430
tors. eta vs tors. theta energy: 6.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 174
Temperature: 2.450000
Total energy: -40.372127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.372127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.372127 (E_RNA)
where:
Base-Base interactions energy: -5.010
where: short stacking energy: -5.010
Base-Backbone interact. energy: -0.041
local terms energy: -35.320966
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -8.388
flat angles P-C4'-P energy: -4.296
tors. eta vs tors. theta energy: 12.407
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: 8, replica: 5
=====================================
Write number: 174
Temperature: 2.466667
Total energy: -36.681943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.681943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.681943 (E_RNA)
where:
Base-Base interactions energy: -5.078
where: short stacking energy: -5.078
Base-Backbone interact. energy: 1.120
local terms energy: -32.723397
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -1.735
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: 9, replica: 1
=====================================
Write number: 174
Temperature: 2.483333
Total energy: -34.811570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.811570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.811570 (E_RNA)
where:
Base-Base interactions energy: -8.151
where: short stacking energy: -6.391
Base-Backbone interact. energy: -0.314
local terms energy: -26.346132
where:
bonds (distance) C4'-P energy: -6.322
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -3.391
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: 3.699
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: 9
=====================================
Write number: 174
Temperature: 2.500000
Total energy: -36.104572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.104572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.104572 (E_RNA)
where:
Base-Base interactions energy: -2.981
where: short stacking energy: -2.981
Base-Backbone interact. energy: -0.274
local terms energy: -32.848877
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -4.545
flat angles P-C4'-P energy: -2.783
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: 1, replica: 4
=====================================
Write number: 175
Temperature: 2.350000
Total energy: -39.312557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.312557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.312557 (E_RNA)
where:
Base-Base interactions energy: -1.728
where: short stacking energy: -0.867
Base-Backbone interact. energy: -0.269
local terms energy: -37.315290
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -4.000
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: 6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 175
Temperature: 2.366667
Total energy: -37.624310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.624310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.624310 (E_RNA)
where:
Base-Base interactions energy: -5.345
where: short stacking energy: -5.345
Base-Backbone interact. energy: -0.203
local terms energy: -32.076211
where:
bonds (distance) C4'-P energy: -7.879
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -5.987
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: 6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 175
Temperature: 2.383333
Total energy: -34.124428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.124428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.124428 (E_RNA)
where:
Base-Base interactions energy: -6.828
where: short stacking energy: -6.828
Base-Backbone interact. energy: 3.599
local terms energy: -30.895701
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -5.312
flat angles P-C4'-P energy: -4.499
tors. eta vs tors. theta energy: 6.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 175
Temperature: 2.400000
Total energy: -41.425802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.425802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.425802 (E_RNA)
where:
Base-Base interactions energy: -7.378
where: short stacking energy: -7.274
Base-Backbone interact. energy: -0.214
local terms energy: -33.834245
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -10.251
flat angles C4'-P-C4' energy: -4.724
flat angles P-C4'-P energy: -6.942
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: 5, replica: 3
=====================================
Write number: 175
Temperature: 2.416667
Total energy: -35.891333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.891333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.891333 (E_RNA)
where:
Base-Base interactions energy: -14.181
where: short stacking energy: -9.875
Base-Backbone interact. energy: -0.574
local terms energy: -21.136794
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -9.344
flat angles P-C4'-P energy: 2.352
tors. eta vs tors. theta energy: 8.291
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: 7
=====================================
Write number: 175
Temperature: 2.433333
Total energy: -35.225003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.225003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.225003 (E_RNA)
where:
Base-Base interactions energy: -11.618
where: short stacking energy: -10.816
Base-Backbone interact. energy: -0.242
local terms energy: -23.365076
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -5.787
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -1.835
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: 2
=====================================
Write number: 175
Temperature: 2.450000
Total energy: -33.101029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.101029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.101029 (E_RNA)
where:
Base-Base interactions energy: -5.745
where: short stacking energy: -5.745
Base-Backbone interact. energy: -0.445
local terms energy: -26.910277
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -2.475
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: 7.209
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: 8, replica: 1
=====================================
Write number: 175
Temperature: 2.466667
Total energy: -33.093188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.093188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.093188 (E_RNA)
where:
Base-Base interactions energy: -3.605
where: short stacking energy: -4.105
Base-Backbone interact. energy: -1.300
local terms energy: -28.187734
where:
bonds (distance) C4'-P energy: -9.718
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -4.875
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: 9.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 175
Temperature: 2.483333
Total energy: -39.019754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.019754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.019754 (E_RNA)
where:
Base-Base interactions energy: -13.401
where: short stacking energy: -11.204
Base-Backbone interact. energy: 1.317
local terms energy: -26.935266
where:
bonds (distance) C4'-P energy: -4.147
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -1.007
tors. eta vs tors. theta energy: 4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 175
Temperature: 2.500000
Total energy: -37.468244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.468244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.468244 (E_RNA)
where:
Base-Base interactions energy: -6.125
where: short stacking energy: -6.670
Base-Backbone interact. energy: -0.154
local terms energy: -31.189008
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -6.380
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: 0.176
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: 176
Temperature: 2.350000
Total energy: -38.881297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.881297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.881297 (E_RNA)
where:
Base-Base interactions energy: -11.001
where: short stacking energy: -8.753
Base-Backbone interact. energy: -0.168
local terms energy: -27.712545
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -2.754
tors. eta vs tors. theta energy: 6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 2.366667
Total energy: -34.140849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.140849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.140849 (E_RNA)
where:
Base-Base interactions energy: -10.497
where: short stacking energy: -7.516
Base-Backbone interact. energy: 0.284
local terms energy: -23.928786
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -3.969
flat angles P-C4'-P energy: -2.577
tors. eta vs tors. theta energy: 7.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 176
Temperature: 2.383333
Total energy: -39.384483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.384483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.384483 (E_RNA)
where:
Base-Base interactions energy: -2.994
where: short stacking energy: -4.217
Base-Backbone interact. energy: 0.130
local terms energy: -36.519875
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -1.157
flat angles P-C4'-P energy: -8.924
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: 4, replica: 6
=====================================
Write number: 176
Temperature: 2.400000
Total energy: -33.223838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.223838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.223838 (E_RNA)
where:
Base-Base interactions energy: -4.119
where: short stacking energy: -4.897
Base-Backbone interact. energy: 1.306
local terms energy: -30.410977
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -5.238
flat angles P-C4'-P energy: -4.841
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: 5, replica: 7
=====================================
Write number: 176
Temperature: 2.416667
Total energy: -43.792283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.792283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.792283 (E_RNA)
where:
Base-Base interactions energy: -7.294
where: short stacking energy: -1.753
Base-Backbone interact. energy: 3.330
local terms energy: -39.827975
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: 8.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 2.433333
Total energy: -35.800318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.800318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.800318 (E_RNA)
where:
Base-Base interactions energy: -10.174
where: short stacking energy: -9.883
Base-Backbone interact. energy: 3.042
local terms energy: -28.668711
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -5.708
flat angles P-C4'-P energy: -4.891
tors. eta vs tors. theta energy: 10.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 176
Temperature: 2.450000
Total energy: -33.385710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.385710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.385710 (E_RNA)
where:
Base-Base interactions energy: -4.852
where: short stacking energy: -4.334
Base-Backbone interact. energy: -1.381
local terms energy: -27.152990
where:
bonds (distance) C4'-P energy: -9.024
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: 10.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 176
Temperature: 2.466667
Total energy: -39.096589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.096589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.096589 (E_RNA)
where:
Base-Base interactions energy: -9.259
where: short stacking energy: -9.259
Base-Backbone interact. energy: -0.216
local terms energy: -29.621352
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -8.517
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: 11.196
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: 9
=====================================
Write number: 176
Temperature: 2.483333
Total energy: -33.186785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.186785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.186785 (E_RNA)
where:
Base-Base interactions energy: -0.286
where: short stacking energy: -4.441
Base-Backbone interact. energy: 0.142
local terms energy: -33.042549
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -2.797
tors. eta vs tors. theta energy: 10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 176
Temperature: 2.500000
Total energy: -34.382350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.382350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.382350 (E_RNA)
where:
Base-Base interactions energy: -11.134
where: short stacking energy: -11.134
Base-Backbone interact. energy: -0.048
local terms energy: -23.200417
where:
bonds (distance) C4'-P energy: -3.823
bonds (distance) P-C4' energy: -9.883
flat angles C4'-P-C4' energy: -7.558
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: 3.262
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: 10
=====================================
Write number: 177
Temperature: 2.350000
Total energy: -42.760557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.760557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.760557 (E_RNA)
where:
Base-Base interactions energy: -7.967
where: short stacking energy: -6.903
Base-Backbone interact. energy: 3.397
local terms energy: -38.190532
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -1.999
tors. eta vs tors. theta energy: 3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 177
Temperature: 2.366667
Total energy: -43.454818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.454818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.454818 (E_RNA)
where:
Base-Base interactions energy: -8.883
where: short stacking energy: -7.334
Base-Backbone interact. energy: 0.230
local terms energy: -34.801812
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -4.329
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: 3, replica: 4
=====================================
Write number: 177
Temperature: 2.383333
Total energy: -32.406426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.406426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.406426 (E_RNA)
where:
Base-Base interactions energy: -5.283
where: short stacking energy: -5.283
Base-Backbone interact. energy: -0.531
local terms energy: -26.591750
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -6.924
flat angles P-C4'-P energy: -1.472
tors. eta vs tors. theta energy: 10.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 2.400000
Total energy: -38.714641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.714641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.714641 (E_RNA)
where:
Base-Base interactions energy: -7.014
where: short stacking energy: -7.048
Base-Backbone interact. energy: 0.389
local terms energy: -32.089997
where:
bonds (distance) C4'-P energy: -9.829
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -6.554
flat angles P-C4'-P energy: -5.224
tors. eta vs tors. theta energy: 5.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 177
Temperature: 2.416667
Total energy: -43.931745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.931745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.931745 (E_RNA)
where:
Base-Base interactions energy: -11.211
where: short stacking energy: -10.627
Base-Backbone interact. energy: -0.829
local terms energy: -31.892328
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -4.123
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: 5.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 177
Temperature: 2.433333
Total energy: -36.621616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.621616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.621616 (E_RNA)
where:
Base-Base interactions energy: -3.231
where: short stacking energy: -2.306
Base-Backbone interact. energy: -0.258
local terms energy: -33.132803
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -6.785
flat angles P-C4'-P energy: -4.239
tors. eta vs tors. theta energy: 5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 177
Temperature: 2.450000
Total energy: -36.845885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.845885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.845885 (E_RNA)
where:
Base-Base interactions energy: -13.193
where: short stacking energy: -9.483
Base-Backbone interact. energy: -0.597
local terms energy: -23.056410
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: 0.187
tors. eta vs tors. theta energy: 5.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 177
Temperature: 2.466667
Total energy: -41.476228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.476228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.476228 (E_RNA)
where:
Base-Base interactions energy: -8.978
where: short stacking energy: -5.036
Base-Backbone interact. energy: 0.037
local terms energy: -32.535716
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -8.418
flat angles P-C4'-P energy: 1.631
tors. eta vs tors. theta energy: 2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 177
Temperature: 2.483333
Total energy: -40.757225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.757225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.757225 (E_RNA)
where:
Base-Base interactions energy: -8.649
where: short stacking energy: -7.089
Base-Backbone interact. energy: 0.386
local terms energy: -32.494035
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -4.467
flat angles P-C4'-P energy: -2.779
tors. eta vs tors. theta energy: 5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 177
Temperature: 2.500000
Total energy: -34.418620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.418620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.418620 (E_RNA)
where:
Base-Base interactions energy: -8.375
where: short stacking energy: -8.255
Base-Backbone interact. energy: -0.530
local terms energy: -25.514035
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -7.433
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: 8.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 178
Temperature: 2.350000
Total energy: -37.601800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.601800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.601800 (E_RNA)
where:
Base-Base interactions energy: -7.095
where: short stacking energy: -7.035
Base-Backbone interact. energy: -0.289
local terms energy: -30.217381
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -6.210
flat angles C4'-P-C4' energy: -7.369
flat angles P-C4'-P energy: -3.932
tors. eta vs tors. theta energy: 2.845
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: 10
=====================================
Write number: 178
Temperature: 2.366667
Total energy: -36.847669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.847669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.847669 (E_RNA)
where:
Base-Base interactions energy: -5.979
where: short stacking energy: -4.325
Base-Backbone interact. energy: 0.333
local terms energy: -31.202014
where:
bonds (distance) C4'-P energy: -7.552
bonds (distance) P-C4' energy: -9.936
flat angles C4'-P-C4' energy: -8.868
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: 4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 178
Temperature: 2.383333
Total energy: -38.008361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.008361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.008361 (E_RNA)
where:
Base-Base interactions energy: -1.911
where: short stacking energy: -1.160
Base-Backbone interact. energy: -0.518
local terms energy: -35.579207
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -8.239
flat angles P-C4'-P energy: -8.327
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: 4, replica: 4
=====================================
Write number: 178
Temperature: 2.400000
Total energy: -35.809434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.809434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.809434 (E_RNA)
where:
Base-Base interactions energy: -3.851
where: short stacking energy: -3.382
Base-Backbone interact. energy: -0.170
local terms energy: -31.788494
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -5.781
flat angles P-C4'-P energy: -3.963
tors. eta vs tors. theta energy: 7.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 178
Temperature: 2.416667
Total energy: -33.843245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.843245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.843245 (E_RNA)
where:
Base-Base interactions energy: -5.265
where: short stacking energy: -2.020
Base-Backbone interact. energy: -0.729
local terms energy: -27.849465
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -5.412
flat angles P-C4'-P energy: -5.062
tors. eta vs tors. theta energy: 11.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 178
Temperature: 2.433333
Total energy: -36.545184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.545184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.545184 (E_RNA)
where:
Base-Base interactions energy: -8.540
where: short stacking energy: -4.086
Base-Backbone interact. energy: -0.297
local terms energy: -27.708373
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: 2.351
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: 8.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 178
Temperature: 2.450000
Total energy: -43.325021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.325021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.325021 (E_RNA)
where:
Base-Base interactions energy: -12.070
where: short stacking energy: -12.070
Base-Backbone interact. energy: -0.928
local terms energy: -30.327328
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -6.301
flat angles P-C4'-P energy: -5.445
tors. eta vs tors. theta energy: 11.027
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: 3
=====================================
Write number: 178
Temperature: 2.466667
Total energy: -30.491180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.491180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.491180 (E_RNA)
where:
Base-Base interactions energy: -7.913
where: short stacking energy: -6.141
Base-Backbone interact. energy: -0.676
local terms energy: -21.901722
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -5.626
flat angles C4'-P-C4' energy: -7.391
flat angles P-C4'-P energy: -2.935
tors. eta vs tors. theta energy: 9.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 178
Temperature: 2.483333
Total energy: -33.456507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.456507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.456507 (E_RNA)
where:
Base-Base interactions energy: -4.419
where: short stacking energy: -3.277
Base-Backbone interact. energy: -1.054
local terms energy: -27.984056
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -9.168
flat angles P-C4'-P energy: -0.882
tors. eta vs tors. theta energy: 9.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 178
Temperature: 2.500000
Total energy: -36.107535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.107535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.107535 (E_RNA)
where:
Base-Base interactions energy: -3.310
where: short stacking energy: -2.483
Base-Backbone interact. energy: 0.999
local terms energy: -33.796913
where:
bonds (distance) C4'-P energy: -7.628
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: 3.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 179
Temperature: 2.350000
Total energy: -37.087378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.087378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.087378 (E_RNA)
where:
Base-Base interactions energy: -6.475
where: short stacking energy: -4.065
Base-Backbone interact. energy: 0.417
local terms energy: -31.028448
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -6.966
flat angles P-C4'-P energy: -3.209
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: 2, replica: 7
=====================================
Write number: 179
Temperature: 2.366667
Total energy: -39.372379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.372379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.372379 (E_RNA)
where:
Base-Base interactions energy: -7.863
where: short stacking energy: -6.220
Base-Backbone interact. energy: 0.914
local terms energy: -32.423577
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -0.818
tors. eta vs tors. theta energy: 5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 179
Temperature: 2.383333
Total energy: -43.483963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.483963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.483963 (E_RNA)
where:
Base-Base interactions energy: -6.343
where: short stacking energy: -5.535
Base-Backbone interact. energy: -0.376
local terms energy: -36.765701
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -10.344
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: 6.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 179
Temperature: 2.400000
Total energy: -37.702103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.702103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.702103 (E_RNA)
where:
Base-Base interactions energy: -9.155
where: short stacking energy: -8.627
Base-Backbone interact. energy: -0.153
local terms energy: -28.393618
where:
bonds (distance) C4'-P energy: -9.794
bonds (distance) P-C4' energy: -9.923
flat angles C4'-P-C4' energy: -8.166
flat angles P-C4'-P energy: -3.840
tors. eta vs tors. theta energy: 3.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 179
Temperature: 2.416667
Total energy: -38.880562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.880562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.880562 (E_RNA)
where:
Base-Base interactions energy: -6.601
where: short stacking energy: -4.483
Base-Backbone interact. energy: -0.144
local terms energy: -32.136009
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -1.166
flat angles P-C4'-P energy: -5.562
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: 6, replica: 9
=====================================
Write number: 179
Temperature: 2.433333
Total energy: -37.386420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.386420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.386420 (E_RNA)
where:
Base-Base interactions energy: -8.429
where: short stacking energy: -5.346
Base-Backbone interact. energy: -0.572
local terms energy: -28.385786
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -2.768
flat angles P-C4'-P energy: -2.830
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: 7, replica: 6
=====================================
Write number: 179
Temperature: 2.450000
Total energy: -35.232510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.232510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.232510 (E_RNA)
where:
Base-Base interactions energy: -6.264
where: short stacking energy: -6.264
Base-Backbone interact. energy: -0.153
local terms energy: -28.815527
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -2.751
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: 5.595
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: 8, replica: 5
=====================================
Write number: 179
Temperature: 2.466667
Total energy: -33.317760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.317760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.317760 (E_RNA)
where:
Base-Base interactions energy: -6.441
where: short stacking energy: -5.766
Base-Backbone interact. energy: 0.343
local terms energy: -27.219363
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -3.148
tors. eta vs tors. theta energy: 10.712
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: 9, replica: 3
=====================================
Write number: 179
Temperature: 2.483333
Total energy: -35.228730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.228730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.228730 (E_RNA)
where:
Base-Base interactions energy: -5.371
where: short stacking energy: -5.273
Base-Backbone interact. energy: 2.124
local terms energy: -31.981686
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -5.139
flat angles P-C4'-P energy: -8.301
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: 10, replica: 2
=====================================
Write number: 179
Temperature: 2.500000
Total energy: -30.028393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.028393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.028393 (E_RNA)
where:
Base-Base interactions energy: -5.263
where: short stacking energy: -1.760
Base-Backbone interact. energy: 0.142
local terms energy: -24.907705
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -9.452
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -1.411
tors. eta vs tors. theta energy: 8.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 180
Temperature: 2.350000
Total energy: -32.289460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.289460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.289460 (E_RNA)
where:
Base-Base interactions energy: 1.276
where: short stacking energy: 1.276
Base-Backbone interact. energy: -0.094
local terms energy: -33.470825
where:
bonds (distance) C4'-P energy: -8.469
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: 10.413
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: 8
=====================================
Write number: 180
Temperature: 2.366667
Total energy: -41.043229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.043229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.043229 (E_RNA)
where:
Base-Base interactions energy: -2.883
where: short stacking energy: -2.883
Base-Backbone interact. energy: -0.308
local terms energy: -37.851653
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -9.244
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: 3, replica: 1
=====================================
Write number: 180
Temperature: 2.383333
Total energy: -36.884498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.884498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.884498 (E_RNA)
where:
Base-Base interactions energy: -10.308
where: short stacking energy: -5.795
Base-Backbone interact. energy: 0.143
local terms energy: -26.718964
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -3.276
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: 8.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 180
Temperature: 2.400000
Total energy: -45.978789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.978789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.978789 (E_RNA)
where:
Base-Base interactions energy: -1.984
where: short stacking energy: -1.916
Base-Backbone interact. energy: -0.250
local terms energy: -43.744332
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: 6.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 180
Temperature: 2.416667
Total energy: -34.373949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.373949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.373949 (E_RNA)
where:
Base-Base interactions energy: -1.016
where: short stacking energy: -1.216
Base-Backbone interact. energy: 0.103
local terms energy: -33.461410
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -2.101
tors. eta vs tors. theta energy: 8.716
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: 4
=====================================
Write number: 180
Temperature: 2.433333
Total energy: -35.282578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.282578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.282578 (E_RNA)
where:
Base-Base interactions energy: -7.904
where: short stacking energy: -7.662
Base-Backbone interact. energy: -0.887
local terms energy: -26.490784
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -8.280
flat angles C4'-P-C4' energy: -4.540
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: 7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 180
Temperature: 2.450000
Total energy: -34.915771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.915771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.915771 (E_RNA)
where:
Base-Base interactions energy: -7.907
where: short stacking energy: -7.907
Base-Backbone interact. energy: -0.286
local terms energy: -26.722708
where:
bonds (distance) C4'-P energy: -8.949
bonds (distance) P-C4' energy: -8.134
flat angles C4'-P-C4' energy: -7.530
flat angles P-C4'-P energy: -5.500
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: 8, replica: 6
=====================================
Write number: 180
Temperature: 2.466667
Total energy: -36.936259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.936259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.936259 (E_RNA)
where:
Base-Base interactions energy: -6.117
where: short stacking energy: -2.491
Base-Backbone interact. energy: 4.923
local terms energy: -35.741796
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: 9.072
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: 2
=====================================
Write number: 180
Temperature: 2.483333
Total energy: -41.078426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.078426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.078426 (E_RNA)
where:
Base-Base interactions energy: -11.131
where: short stacking energy: -5.517
Base-Backbone interact. energy: -0.624
local terms energy: -29.323033
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -9.766
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: 8.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 180
Temperature: 2.500000
Total energy: -35.945443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.945443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.945443 (E_RNA)
where:
Base-Base interactions energy: -8.525
where: short stacking energy: -7.042
Base-Backbone interact. energy: 3.297
local terms energy: -30.716981
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -0.652
tors. eta vs tors. theta energy: 9.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 181
Temperature: 2.350000
Total energy: -43.796655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.796655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.796655 (E_RNA)
where:
Base-Base interactions energy: -13.823
where: short stacking energy: -6.348
Base-Backbone interact. energy: 1.515
local terms energy: -31.488604
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -3.382
tors. eta vs tors. theta energy: 8.431
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: 1
=====================================
Write number: 181
Temperature: 2.366667
Total energy: -41.219468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.219468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.219468 (E_RNA)
where:
Base-Base interactions energy: -7.237
where: short stacking energy: -2.516
Base-Backbone interact. energy: 0.192
local terms energy: -34.174911
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: 7.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 181
Temperature: 2.383333
Total energy: -44.327179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.327179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.327179 (E_RNA)
where:
Base-Base interactions energy: -7.762
where: short stacking energy: -6.145
Base-Backbone interact. energy: -0.357
local terms energy: -36.208480
where:
bonds (distance) C4'-P energy: -8.925
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: 12.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 181
Temperature: 2.400000
Total energy: -37.277299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.277299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.277299 (E_RNA)
where:
Base-Base interactions energy: -3.306
where: short stacking energy: -4.202
Base-Backbone interact. energy: 0.134
local terms energy: -34.105870
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -3.697
tors. eta vs tors. theta energy: 9.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 181
Temperature: 2.416667
Total energy: -35.962619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.962619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.962619 (E_RNA)
where:
Base-Base interactions energy: -2.607
where: short stacking energy: -2.574
Base-Backbone interact. energy: -0.169
local terms energy: -33.186975
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -3.281
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: 11.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 181
Temperature: 2.433333
Total energy: -40.890081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.890081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.890081 (E_RNA)
where:
Base-Base interactions energy: -12.299
where: short stacking energy: -9.437
Base-Backbone interact. energy: -0.353
local terms energy: -28.237688
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -9.658
flat angles C4'-P-C4' energy: -5.992
flat angles P-C4'-P energy: -8.221
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: 7, replica: 4
=====================================
Write number: 181
Temperature: 2.450000
Total energy: -33.877580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.877580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.877580 (E_RNA)
where:
Base-Base interactions energy: -6.360
where: short stacking energy: -6.041
Base-Backbone interact. energy: -0.779
local terms energy: -26.738506
where:
bonds (distance) C4'-P energy: -4.356
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -3.529
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: 1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 181
Temperature: 2.466667
Total energy: -42.145556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.145556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.145556 (E_RNA)
where:
Base-Base interactions energy: -6.721
where: short stacking energy: -6.109
Base-Backbone interact. energy: -0.325
local terms energy: -35.099516
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -5.626
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: 3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 2.483333
Total energy: -51.593461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.593461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.593461 (E_RNA)
where:
Base-Base interactions energy: -11.493
where: short stacking energy: -8.830
Base-Backbone interact. energy: -0.305
local terms energy: -39.795747
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -6.862
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: 7.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 181
Temperature: 2.500000
Total energy: -31.766203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.766203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.766203 (E_RNA)
where:
Base-Base interactions energy: -9.778
where: short stacking energy: -9.978
Base-Backbone interact. energy: 0.002
local terms energy: -21.989919
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -0.800
flat angles P-C4'-P energy: 4.404
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: 1, replica: 7
=====================================
Write number: 182
Temperature: 2.350000
Total energy: -38.407786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.407786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.407786 (E_RNA)
where:
Base-Base interactions energy: -7.893
where: short stacking energy: -4.469
Base-Backbone interact. energy: 1.261
local terms energy: -31.775880
where:
bonds (distance) C4'-P energy: -6.414
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -0.694
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: 1
=====================================
Write number: 182
Temperature: 2.366667
Total energy: -38.129749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.129749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.129749 (E_RNA)
where:
Base-Base interactions energy: -11.571
where: short stacking energy: -9.502
Base-Backbone interact. energy: -0.728
local terms energy: -25.830207
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -10.292
flat angles C4'-P-C4' energy: -5.062
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: 10.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 182
Temperature: 2.383333
Total energy: -35.825866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.825866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.825866 (E_RNA)
where:
Base-Base interactions energy: -9.555
where: short stacking energy: -5.408
Base-Backbone interact. energy: -0.874
local terms energy: -25.397216
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -4.718
tors. eta vs tors. theta energy: 15.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 182
Temperature: 2.400000
Total energy: -39.016992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.016992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.016992 (E_RNA)
where:
Base-Base interactions energy: -7.257
where: short stacking energy: -6.784
Base-Backbone interact. energy: -0.252
local terms energy: -31.508106
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: 1.698
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: 5, replica: 5
=====================================
Write number: 182
Temperature: 2.416667
Total energy: -36.687691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.687691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.687691 (E_RNA)
where:
Base-Base interactions energy: -1.761
where: short stacking energy: -0.853
Base-Backbone interact. energy: -0.417
local terms energy: -34.509208
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -11.350
flat angles C4'-P-C4' energy: -4.836
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: 5.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 2.433333
Total energy: -39.494873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.494873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.494873 (E_RNA)
where:
Base-Base interactions energy: -15.200
where: short stacking energy: -10.480
Base-Backbone interact. energy: 0.391
local terms energy: -24.686353
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -10.014
flat angles C4'-P-C4' energy: -7.222
flat angles P-C4'-P energy: 0.211
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: 7, replica: 2
=====================================
Write number: 182
Temperature: 2.450000
Total energy: -40.496053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.496053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.496053 (E_RNA)
where:
Base-Base interactions energy: -8.042
where: short stacking energy: -8.042
Base-Backbone interact. energy: 2.315
local terms energy: -34.768924
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -6.756
flat angles P-C4'-P energy: -7.275
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: 8, replica: 4
=====================================
Write number: 182
Temperature: 2.466667
Total energy: -41.966019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.966019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.966019 (E_RNA)
where:
Base-Base interactions energy: -5.990
where: short stacking energy: -3.477
Base-Backbone interact. energy: -0.174
local terms energy: -35.801752
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -8.776
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: 9.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 182
Temperature: 2.483333
Total energy: -36.874853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.874853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.874853 (E_RNA)
where:
Base-Base interactions energy: -1.619
where: short stacking energy: -0.158
Base-Backbone interact. energy: -0.424
local terms energy: -34.831668
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: 8.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 2.500000
Total energy: -38.248456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.248456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.248456 (E_RNA)
where:
Base-Base interactions energy: -6.308
where: short stacking energy: -6.308
Base-Backbone interact. energy: 0.817
local terms energy: -32.757794
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -6.098
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: 0.206
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: 7
=====================================
Write number: 183
Temperature: 2.350000
Total energy: -34.892392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.892392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.892392 (E_RNA)
where:
Base-Base interactions energy: -2.831
where: short stacking energy: -2.799
Base-Backbone interact. energy: 1.496
local terms energy: -33.556894
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -0.041
tors. eta vs tors. theta energy: 6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 183
Temperature: 2.366667
Total energy: -38.558986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.558986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.558986 (E_RNA)
where:
Base-Base interactions energy: -8.805
where: short stacking energy: -6.497
Base-Backbone interact. energy: -0.753
local terms energy: -29.000561
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -4.661
flat angles P-C4'-P energy: -5.127
tors. eta vs tors. theta energy: 7.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 183
Temperature: 2.383333
Total energy: -33.814268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.814268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.814268 (E_RNA)
where:
Base-Base interactions energy: -2.578
where: short stacking energy: -1.093
Base-Backbone interact. energy: 0.086
local terms energy: -31.322152
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -6.831
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: 7.805
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: 5
=====================================
Write number: 183
Temperature: 2.400000
Total energy: -43.578376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.578376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.578376 (E_RNA)
where:
Base-Base interactions energy: -6.535
where: short stacking energy: -2.396
Base-Backbone interact. energy: 0.388
local terms energy: -37.431441
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -9.997
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: 10.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 2.416667
Total energy: -37.040760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.040760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.040760 (E_RNA)
where:
Base-Base interactions energy: -4.956
where: short stacking energy: -4.956
Base-Backbone interact. energy: 0.022
local terms energy: -32.106890
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -7.211
flat angles P-C4'-P energy: -5.265
tors. eta vs tors. theta energy: 7.305
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: 2
=====================================
Write number: 183
Temperature: 2.433333
Total energy: -35.851021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.851021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.851021 (E_RNA)
where:
Base-Base interactions energy: -4.757
where: short stacking energy: -0.310
Base-Backbone interact. energy: -0.435
local terms energy: -30.659243
where:
bonds (distance) C4'-P energy: -7.439
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: 11.835
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: 183
Temperature: 2.450000
Total energy: -36.623193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.623193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.623193 (E_RNA)
where:
Base-Base interactions energy: -13.086
where: short stacking energy: -13.086
Base-Backbone interact. energy: -0.456
local terms energy: -23.081731
where:
bonds (distance) C4'-P energy: -4.794
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -4.600
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: 7.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 183
Temperature: 2.466667
Total energy: -34.602188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.602188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.602188 (E_RNA)
where:
Base-Base interactions energy: 0.356
where: short stacking energy: 2.055
Base-Backbone interact. energy: -0.972
local terms energy: -33.986620
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -8.072
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: 7.763
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: 9, replica: 4
=====================================
Write number: 183
Temperature: 2.483333
Total energy: -41.285983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.285983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.285983 (E_RNA)
where:
Base-Base interactions energy: -6.532
where: short stacking energy: -4.080
Base-Backbone interact. energy: -0.043
local terms energy: -34.711458
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -9.505
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -5.181
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: 10, replica: 6
=====================================
Write number: 183
Temperature: 2.500000
Total energy: -35.477855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.477855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.477855 (E_RNA)
where:
Base-Base interactions energy: -0.912
where: short stacking energy: -1.501
Base-Backbone interact. energy: 0.277
local terms energy: -34.842201
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: 13.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 184
Temperature: 2.350000
Total energy: -35.341544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.341544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.341544 (E_RNA)
where:
Base-Base interactions energy: -1.110
where: short stacking energy: -2.210
Base-Backbone interact. energy: -0.012
local terms energy: -34.219904
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -6.672
tors. eta vs tors. theta energy: 11.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 184
Temperature: 2.366667
Total energy: -47.597733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.597733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.597733 (E_RNA)
where:
Base-Base interactions energy: -11.783
where: short stacking energy: -10.061
Base-Backbone interact. energy: -0.031
local terms energy: -35.783704
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -7.637
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -2.361
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: 3, replica: 5
=====================================
Write number: 184
Temperature: 2.383333
Total energy: -36.531871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.531871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.531871 (E_RNA)
where:
Base-Base interactions energy: -10.493
where: short stacking energy: -8.736
Base-Backbone interact. energy: -0.271
local terms energy: -25.768229
where:
bonds (distance) C4'-P energy: -6.322
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -7.280
flat angles P-C4'-P energy: 0.433
tors. eta vs tors. theta energy: 0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 184
Temperature: 2.400000
Total energy: -40.865012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.865012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.865012 (E_RNA)
where:
Base-Base interactions energy: -10.570
where: short stacking energy: -11.670
Base-Backbone interact. energy: -0.711
local terms energy: -29.584054
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -1.254
tors. eta vs tors. theta energy: 7.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 2.416667
Total energy: -39.920922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.920922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.920922 (E_RNA)
where:
Base-Base interactions energy: -7.831
where: short stacking energy: -7.831
Base-Backbone interact. energy: -0.161
local terms energy: -31.929277
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -0.804
tors. eta vs tors. theta energy: 8.277
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: 8
=====================================
Write number: 184
Temperature: 2.433333
Total energy: -37.280734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.280734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.280734 (E_RNA)
where:
Base-Base interactions energy: -3.054
where: short stacking energy: -3.054
Base-Backbone interact. energy: -0.228
local terms energy: -33.998461
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -8.445
flat angles P-C4'-P energy: -5.567
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: 7, replica: 3
=====================================
Write number: 184
Temperature: 2.450000
Total energy: -32.847251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.847251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.847251 (E_RNA)
where:
Base-Base interactions energy: -5.196
where: short stacking energy: -5.196
Base-Backbone interact. energy: -0.299
local terms energy: -27.352800
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: 7.290
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: 8, replica: 10
=====================================
Write number: 184
Temperature: 2.466667
Total energy: -35.295440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.295440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.295440 (E_RNA)
where:
Base-Base interactions energy: -11.707
where: short stacking energy: -5.965
Base-Backbone interact. energy: -0.048
local terms energy: -23.540958
where:
bonds (distance) C4'-P energy: -8.747
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -6.481
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: 8.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 2.483333
Total energy: -36.874168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.874168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.874168 (E_RNA)
where:
Base-Base interactions energy: -9.210
where: short stacking energy: -9.210
Base-Backbone interact. energy: 1.038
local terms energy: -28.702514
where:
bonds (distance) C4'-P energy: -7.176
bonds (distance) P-C4' energy: -9.367
flat angles C4'-P-C4' energy: -5.418
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: 2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 184
Temperature: 2.500000
Total energy: -45.108144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.108144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.108144 (E_RNA)
where:
Base-Base interactions energy: -5.760
where: short stacking energy: -3.681
Base-Backbone interact. energy: -0.664
local terms energy: -38.685047
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: 11.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 185
Temperature: 2.350000
Total energy: -42.316253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.316253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.316253 (E_RNA)
where:
Base-Base interactions energy: -6.958
where: short stacking energy: -3.028
Base-Backbone interact. energy: -0.582
local terms energy: -34.775877
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -3.722
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: 7.503
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: 2, replica: 5
=====================================
Write number: 185
Temperature: 2.366667
Total energy: -50.832673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.832673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.832673 (E_RNA)
where:
Base-Base interactions energy: -16.715
where: short stacking energy: -16.223
Base-Backbone interact. energy: -0.186
local terms energy: -33.931461
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -7.953
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: 6.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 185
Temperature: 2.383333
Total energy: -39.147054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.147054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.147054 (E_RNA)
where:
Base-Base interactions energy: -8.253
where: short stacking energy: -8.253
Base-Backbone interact. energy: -0.346
local terms energy: -30.548765
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -7.792
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -3.610
tors. eta vs tors. theta energy: 4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 2.400000
Total energy: -36.574593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.574593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.574593 (E_RNA)
where:
Base-Base interactions energy: -3.410
where: short stacking energy: -3.410
Base-Backbone interact. energy: -0.476
local terms energy: -32.688747
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -9.476
flat angles C4'-P-C4' energy: -6.568
flat angles P-C4'-P energy: -4.011
tors. eta vs tors. theta energy: 5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 185
Temperature: 2.416667
Total energy: -32.739754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.739754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.739754 (E_RNA)
where:
Base-Base interactions energy: -4.587
where: short stacking energy: -1.687
Base-Backbone interact. energy: -0.588
local terms energy: -27.565599
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: 3.236
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: 6, replica: 3
=====================================
Write number: 185
Temperature: 2.433333
Total energy: -35.892384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.892384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.892384 (E_RNA)
where:
Base-Base interactions energy: -5.658
where: short stacking energy: -5.389
Base-Backbone interact. energy: -0.374
local terms energy: -29.860553
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -4.085
flat angles P-C4'-P energy: -3.532
tors. eta vs tors. theta energy: 4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 185
Temperature: 2.450000
Total energy: -32.295587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.295587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.295587 (E_RNA)
where:
Base-Base interactions energy: -8.775
where: short stacking energy: -9.154
Base-Backbone interact. energy: 0.941
local terms energy: -24.461998
where:
bonds (distance) C4'-P energy: -6.468
bonds (distance) P-C4' energy: -3.830
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: 8.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 2.466667
Total energy: -33.071626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.071626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.071626 (E_RNA)
where:
Base-Base interactions energy: -10.196
where: short stacking energy: -6.921
Base-Backbone interact. energy: -0.418
local terms energy: -22.457252
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -3.417
flat angles P-C4'-P energy: -2.823
tors. eta vs tors. theta energy: 8.855
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: 10
=====================================
Write number: 185
Temperature: 2.483333
Total energy: -35.777534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.777534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.777534 (E_RNA)
where:
Base-Base interactions energy: -3.938
where: short stacking energy: -3.472
Base-Backbone interact. energy: -0.762
local terms energy: -31.077701
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -5.929
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: 4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 185
Temperature: 2.500000
Total energy: -38.784975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.784975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.784975 (E_RNA)
where:
Base-Base interactions energy: -6.574
where: short stacking energy: -3.988
Base-Backbone interact. energy: -0.332
local terms energy: -31.878458
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -8.607
flat angles P-C4'-P energy: -11.392
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: 1, replica: 5
=====================================
Write number: 186
Temperature: 2.350000
Total energy: -45.869176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.869176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.869176 (E_RNA)
where:
Base-Base interactions energy: -12.028
where: short stacking energy: -12.028
Base-Backbone interact. energy: -0.288
local terms energy: -33.552650
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -5.080
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -4.536
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: 2, replica: 9
=====================================
Write number: 186
Temperature: 2.366667
Total energy: -39.043948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.043948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.043948 (E_RNA)
where:
Base-Base interactions energy: -4.491
where: short stacking energy: -3.496
Base-Backbone interact. energy: -0.014
local terms energy: -34.539104
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -3.340
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: 6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 2.383333
Total energy: -46.861669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.861669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.861669 (E_RNA)
where:
Base-Base interactions energy: -12.059
where: short stacking energy: -11.560
Base-Backbone interact. energy: 2.330
local terms energy: -37.133289
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -1.206
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: 2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 186
Temperature: 2.400000
Total energy: -41.370202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.370202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.370202 (E_RNA)
where:
Base-Base interactions energy: -4.683
where: short stacking energy: -3.716
Base-Backbone interact. energy: -0.121
local terms energy: -36.566459
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -7.293
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: 1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 186
Temperature: 2.416667
Total energy: -40.842340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.842340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.842340 (E_RNA)
where:
Base-Base interactions energy: -14.770
where: short stacking energy: -14.184
Base-Backbone interact. energy: -0.114
local terms energy: -25.958500
where:
bonds (distance) C4'-P energy: -2.607
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -1.834
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: 6, replica: 1
=====================================
Write number: 186
Temperature: 2.433333
Total energy: -45.913277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.913277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.913277 (E_RNA)
where:
Base-Base interactions energy: -7.280
where: short stacking energy: -7.280
Base-Backbone interact. energy: -0.399
local terms energy: -38.234214
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: 9.416
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: 6
=====================================
Write number: 186
Temperature: 2.450000
Total energy: -32.142930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.142930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.142930 (E_RNA)
where:
Base-Base interactions energy: -9.348
where: short stacking energy: -4.133
Base-Backbone interact. energy: -0.393
local terms energy: -22.401958
where:
bonds (distance) C4'-P energy: -7.785
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -7.411
flat angles P-C4'-P energy: -0.205
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: 8, replica: 8
=====================================
Write number: 186
Temperature: 2.466667
Total energy: -40.371954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.371954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.371954 (E_RNA)
where:
Base-Base interactions energy: -5.410
where: short stacking energy: -3.299
Base-Backbone interact. energy: -0.179
local terms energy: -34.783357
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -1.621
tors. eta vs tors. theta energy: 8.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 186
Temperature: 2.483333
Total energy: -32.642120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.642120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.642120 (E_RNA)
where:
Base-Base interactions energy: -5.896
where: short stacking energy: -4.385
Base-Backbone interact. energy: -0.024
local terms energy: -26.721816
where:
bonds (distance) C4'-P energy: -8.394
bonds (distance) P-C4' energy: -7.033
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: 5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 186
Temperature: 2.500000
Total energy: -33.880914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.880914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.880914 (E_RNA)
where:
Base-Base interactions energy: -9.470
where: short stacking energy: -9.188
Base-Backbone interact. energy: 1.435
local terms energy: -25.845822
where:
bonds (distance) C4'-P energy: -7.923
bonds (distance) P-C4' energy: -9.286
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -1.306
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: 1, replica: 5
=====================================
Write number: 187
Temperature: 2.350000
Total energy: -49.126543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.126543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.126543 (E_RNA)
where:
Base-Base interactions energy: -12.306
where: short stacking energy: -12.306
Base-Backbone interact. energy: -0.343
local terms energy: -36.478218
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -2.310
tors. eta vs tors. theta energy: 2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 187
Temperature: 2.366667
Total energy: -36.736772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.736772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.736772 (E_RNA)
where:
Base-Base interactions energy: -11.844
where: short stacking energy: -11.768
Base-Backbone interact. energy: 2.054
local terms energy: -26.946965
where:
bonds (distance) C4'-P energy: -9.100
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -7.104
flat angles P-C4'-P energy: -1.595
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: 9
=====================================
Write number: 187
Temperature: 2.383333
Total energy: -35.879384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.879384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.879384 (E_RNA)
where:
Base-Base interactions energy: -1.945
where: short stacking energy: -1.945
Base-Backbone interact. energy: -0.276
local terms energy: -33.659067
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -4.130
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: 4, replica: 3
=====================================
Write number: 187
Temperature: 2.400000
Total energy: -41.458096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.458096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.458096 (E_RNA)
where:
Base-Base interactions energy: -11.023
where: short stacking energy: -10.152
Base-Backbone interact. energy: 3.451
local terms energy: -33.885999
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -9.221
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: 5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 187
Temperature: 2.416667
Total energy: -39.232164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.232164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.232164 (E_RNA)
where:
Base-Base interactions energy: -11.652
where: short stacking energy: -8.224
Base-Backbone interact. energy: -0.866
local terms energy: -26.713825
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -3.135
flat angles P-C4'-P energy: -4.365
tors. eta vs tors. theta energy: 6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 187
Temperature: 2.433333
Total energy: -36.965564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.965564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.965564 (E_RNA)
where:
Base-Base interactions energy: -17.415
where: short stacking energy: -14.925
Base-Backbone interact. energy: -0.046
local terms energy: -19.504247
where:
bonds (distance) C4'-P energy: -2.089
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -3.235
tors. eta vs tors. theta energy: 4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 187
Temperature: 2.450000
Total energy: -37.388653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.388653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.388653 (E_RNA)
where:
Base-Base interactions energy: -10.402
where: short stacking energy: -8.460
Base-Backbone interact. energy: -0.106
local terms energy: -26.880317
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -9.689
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: 0.343
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: 8, replica: 4
=====================================
Write number: 187
Temperature: 2.466667
Total energy: -37.495927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.495927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.495927 (E_RNA)
where:
Base-Base interactions energy: -8.069
where: short stacking energy: -5.259
Base-Backbone interact. energy: -0.278
local terms energy: -29.149585
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -9.007
flat angles P-C4'-P energy: -2.984
tors. eta vs tors. theta energy: 9.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 187
Temperature: 2.483333
Total energy: -34.451139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.451139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.451139 (E_RNA)
where:
Base-Base interactions energy: -8.170
where: short stacking energy: -1.732
Base-Backbone interact. energy: -0.309
local terms energy: -25.971980
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -7.362
flat angles C4'-P-C4' energy: -0.685
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: 7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 187
Temperature: 2.500000
Total energy: -30.591748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.591748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.591748 (E_RNA)
where:
Base-Base interactions energy: -7.851
where: short stacking energy: -7.409
Base-Backbone interact. energy: -0.297
local terms energy: -22.444273
where:
bonds (distance) C4'-P energy: -2.729
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -7.452
flat angles P-C4'-P energy: -2.950
tors. eta vs tors. theta energy: 6.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 188
Temperature: 2.350000
Total energy: -45.204248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.204248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.204248 (E_RNA)
where:
Base-Base interactions energy: -4.278
where: short stacking energy: -4.442
Base-Backbone interact. energy: -0.130
local terms energy: -40.796033
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: 9.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 188
Temperature: 2.366667
Total energy: -46.851686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.851686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.851686 (E_RNA)
where:
Base-Base interactions energy: -11.321
where: short stacking energy: -8.549
Base-Backbone interact. energy: -0.095
local terms energy: -35.435899
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -7.895
flat angles P-C4'-P energy: -4.765
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: 3, replica: 3
=====================================
Write number: 188
Temperature: 2.383333
Total energy: -42.799395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.799395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.799395 (E_RNA)
where:
Base-Base interactions energy: -10.957
where: short stacking energy: -6.930
Base-Backbone interact. energy: -0.520
local terms energy: -31.322406
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -9.296
flat angles P-C4'-P energy: -0.936
tors. eta vs tors. theta energy: 6.424
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: 4, replica: 9
=====================================
Write number: 188
Temperature: 2.400000
Total energy: -35.767225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.767225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.767225 (E_RNA)
where:
Base-Base interactions energy: -9.872
where: short stacking energy: -9.872
Base-Backbone interact. energy: -0.248
local terms energy: -25.648208
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: 7.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 188
Temperature: 2.416667
Total energy: -35.313970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.313970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.313970 (E_RNA)
where:
Base-Base interactions energy: -5.579
where: short stacking energy: -5.579
Base-Backbone interact. energy: -0.130
local terms energy: -29.604923
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -5.523
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -2.505
tors. eta vs tors. theta energy: 6.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 188
Temperature: 2.433333
Total energy: -36.955103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.955103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.955103 (E_RNA)
where:
Base-Base interactions energy: -9.519
where: short stacking energy: -8.611
Base-Backbone interact. energy: -0.006
local terms energy: -27.430249
where:
bonds (distance) C4'-P energy: -6.487
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -4.178
flat angles P-C4'-P energy: -5.018
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: 7, replica: 4
=====================================
Write number: 188
Temperature: 2.450000
Total energy: -36.034308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.034308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.034308 (E_RNA)
where:
Base-Base interactions energy: -9.893
where: short stacking energy: -3.002
Base-Backbone interact. energy: 3.032
local terms energy: -29.174108
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -0.498
tors. eta vs tors. theta energy: 7.453
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: 1
=====================================
Write number: 188
Temperature: 2.466667
Total energy: -41.090623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.090623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.090623 (E_RNA)
where:
Base-Base interactions energy: 0.365
where: short stacking energy: 0.365
Base-Backbone interact. energy: -0.300
local terms energy: -41.155242
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: 10.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 188
Temperature: 2.483333
Total energy: -32.564126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.564126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.564126 (E_RNA)
where:
Base-Base interactions energy: -7.691
where: short stacking energy: -6.522
Base-Backbone interact. energy: -0.613
local terms energy: -24.260485
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -1.830
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: 10.055
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: 10, replica: 8
=====================================
Write number: 188
Temperature: 2.500000
Total energy: -40.960232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.960232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.960232 (E_RNA)
where:
Base-Base interactions energy: -9.049
where: short stacking energy: -9.049
Base-Backbone interact. energy: -0.133
local terms energy: -31.778389
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -5.489
flat angles P-C4'-P energy: -11.188
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: 1, replica: 2
=====================================
Write number: 189
Temperature: 2.350000
Total energy: -39.340555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.340555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.340555 (E_RNA)
where:
Base-Base interactions energy: -5.393
where: short stacking energy: -4.509
Base-Backbone interact. energy: -0.358
local terms energy: -33.588882
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -3.745
tors. eta vs tors. theta energy: 10.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 189
Temperature: 2.366667
Total energy: -42.397780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.397780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.397780 (E_RNA)
where:
Base-Base interactions energy: -11.138
where: short stacking energy: -7.801
Base-Backbone interact. energy: 0.604
local terms energy: -31.863772
where:
bonds (distance) C4'-P energy: -5.818
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: 6.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 189
Temperature: 2.383333
Total energy: -35.574841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.574841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.574841 (E_RNA)
where:
Base-Base interactions energy: -6.950
where: short stacking energy: -7.195
Base-Backbone interact. energy: 1.247
local terms energy: -29.871902
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -9.787
flat angles P-C4'-P energy: 0.240
tors. eta vs tors. theta energy: 9.464
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: 6
=====================================
Write number: 189
Temperature: 2.400000
Total energy: -40.175705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.175705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.175705 (E_RNA)
where:
Base-Base interactions energy: -9.167
where: short stacking energy: -7.506
Base-Backbone interact. energy: -0.284
local terms energy: -30.724909
where:
bonds (distance) C4'-P energy: -8.217
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: 1.858
tors. eta vs tors. theta energy: 5.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 189
Temperature: 2.416667
Total energy: -41.973676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.973676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.973676 (E_RNA)
where:
Base-Base interactions energy: -8.556
where: short stacking energy: -6.687
Base-Backbone interact. energy: 8.250
local terms energy: -41.668328
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: 6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 189
Temperature: 2.433333
Total energy: -38.668827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.668827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.668827 (E_RNA)
where:
Base-Base interactions energy: -6.738
where: short stacking energy: -3.280
Base-Backbone interact. energy: -0.416
local terms energy: -31.514855
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -16.714
flat angles C4'-P-C4' energy: -3.612
flat angles P-C4'-P energy: -3.519
tors. eta vs tors. theta energy: 8.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 189
Temperature: 2.450000
Total energy: -35.285542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.285542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.285542 (E_RNA)
where:
Base-Base interactions energy: -5.888
where: short stacking energy: -4.523
Base-Backbone interact. energy: 0.631
local terms energy: -30.028224
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -8.538
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: 7.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 189
Temperature: 2.466667
Total energy: -37.792259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.792259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.792259 (E_RNA)
where:
Base-Base interactions energy: -7.387
where: short stacking energy: -8.984
Base-Backbone interact. energy: -0.743
local terms energy: -29.662854
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -7.966
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: 9.986
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: 1
=====================================
Write number: 189
Temperature: 2.483333
Total energy: -32.387404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.387404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.387404 (E_RNA)
where:
Base-Base interactions energy: -2.183
where: short stacking energy: -2.183
Base-Backbone interact. energy: -0.351
local terms energy: -29.852964
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: 1.186
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: 10.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 189
Temperature: 2.500000
Total energy: -36.401739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.401739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.401739 (E_RNA)
where:
Base-Base interactions energy: -15.123
where: short stacking energy: -9.658
Base-Backbone interact. energy: 1.591
local terms energy: -22.869700
where:
bonds (distance) C4'-P energy: -1.745
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -2.241
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: 8.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 190
Temperature: 2.350000
Total energy: -37.876161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.876161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.876161 (E_RNA)
where:
Base-Base interactions energy: -5.165
where: short stacking energy: -6.548
Base-Backbone interact. energy: 0.055
local terms energy: -32.766778
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -8.077
flat angles P-C4'-P energy: -5.794
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: 2, replica: 2
=====================================
Write number: 190
Temperature: 2.366667
Total energy: -34.722394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.722394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.722394 (E_RNA)
where:
Base-Base interactions energy: -4.805
where: short stacking energy: -3.053
Base-Backbone interact. energy: 0.024
local terms energy: -29.940985
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -8.457
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: 9.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 190
Temperature: 2.383333
Total energy: -52.406613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.406613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.406613 (E_RNA)
where:
Base-Base interactions energy: -11.782
where: short stacking energy: -10.919
Base-Backbone interact. energy: -0.291
local terms energy: -40.333002
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -3.439
tors. eta vs tors. theta energy: 9.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 190
Temperature: 2.400000
Total energy: -41.299093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.299093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.299093 (E_RNA)
where:
Base-Base interactions energy: -9.553
where: short stacking energy: -8.984
Base-Backbone interact. energy: 0.172
local terms energy: -31.918596
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -10.266
flat angles C4'-P-C4' energy: -3.191
flat angles P-C4'-P energy: -3.833
tors. eta vs tors. theta energy: -0.103
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: 4
=====================================
Write number: 190
Temperature: 2.416667
Total energy: -43.038514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.038514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.038514 (E_RNA)
where:
Base-Base interactions energy: -10.093
where: short stacking energy: -5.913
Base-Backbone interact. energy: -0.704
local terms energy: -32.242002
where:
bonds (distance) C4'-P energy: -6.640
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: 8.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 190
Temperature: 2.433333
Total energy: -34.778523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.778523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.778523 (E_RNA)
where:
Base-Base interactions energy: -2.385
where: short stacking energy: -1.091
Base-Backbone interact. energy: -0.811
local terms energy: -31.582450
where:
bonds (distance) C4'-P energy: -8.634
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: 8.577
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: 7, replica: 10
=====================================
Write number: 190
Temperature: 2.450000
Total energy: -34.080260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.080260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.080260 (E_RNA)
where:
Base-Base interactions energy: -7.029
where: short stacking energy: -4.890
Base-Backbone interact. energy: -0.045
local terms energy: -27.005416
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -8.276
flat angles C4'-P-C4' energy: -5.942
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: 10.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 190
Temperature: 2.466667
Total energy: -33.806160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.806160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.806160 (E_RNA)
where:
Base-Base interactions energy: -3.605
where: short stacking energy: -2.457
Base-Backbone interact. energy: 1.876
local terms energy: -32.076898
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -7.218
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -5.021
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: 9, replica: 8
=====================================
Write number: 190
Temperature: 2.483333
Total energy: -37.806790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.806790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.806790 (E_RNA)
where:
Base-Base interactions energy: -8.243
where: short stacking energy: -6.024
Base-Backbone interact. energy: 0.861
local terms energy: -30.424759
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -9.606
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: 8.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 190
Temperature: 2.500000
Total energy: -35.322632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.322632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.322632 (E_RNA)
where:
Base-Base interactions energy: -3.384
where: short stacking energy: -1.098
Base-Backbone interact. energy: -0.388
local terms energy: -31.550700
where:
bonds (distance) C4'-P energy: -8.294
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: 10.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 191
Temperature: 2.350000
Total energy: -44.182961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.182961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.182961 (E_RNA)
where:
Base-Base interactions energy: -3.930
where: short stacking energy: -3.930
Base-Backbone interact. energy: -0.388
local terms energy: -39.864783
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -1.389
tors. eta vs tors. theta energy: 7.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 2.366667
Total energy: -39.321784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.321784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.321784 (E_RNA)
where:
Base-Base interactions energy: -9.967
where: short stacking energy: -9.967
Base-Backbone interact. energy: -0.149
local terms energy: -29.206422
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -6.833
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -3.061
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: 2
=====================================
Write number: 191
Temperature: 2.383333
Total energy: -40.379697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.379697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.379697 (E_RNA)
where:
Base-Base interactions energy: -6.433
where: short stacking energy: -2.999
Base-Backbone interact. energy: 1.877
local terms energy: -35.823669
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -8.246
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -8.098
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: 4
=====================================
Write number: 191
Temperature: 2.400000
Total energy: -39.678803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.678803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.678803 (E_RNA)
where:
Base-Base interactions energy: -1.156
where: short stacking energy: -1.556
Base-Backbone interact. energy: -0.088
local terms energy: -38.434929
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -1.745
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: 5, replica: 6
=====================================
Write number: 191
Temperature: 2.416667
Total energy: -41.596160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.596160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.596160 (E_RNA)
where:
Base-Base interactions energy: -9.200
where: short stacking energy: -9.200
Base-Backbone interact. energy: 0.734
local terms energy: -33.129978
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -3.242
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -11.710
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: 6, replica: 10
=====================================
Write number: 191
Temperature: 2.433333
Total energy: -43.665511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.665511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.665511 (E_RNA)
where:
Base-Base interactions energy: -10.584
where: short stacking energy: -10.584
Base-Backbone interact. energy: -0.044
local terms energy: -33.036924
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -7.172
flat angles P-C4'-P energy: -2.984
tors. eta vs tors. theta energy: 2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 191
Temperature: 2.450000
Total energy: -43.474322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.474322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.474322 (E_RNA)
where:
Base-Base interactions energy: -9.196
where: short stacking energy: -5.680
Base-Backbone interact. energy: -0.221
local terms energy: -34.057064
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -8.929
flat angles C4'-P-C4' energy: -7.423
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: 5.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 191
Temperature: 2.466667
Total energy: -35.426739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.426739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.426739 (E_RNA)
where:
Base-Base interactions energy: -5.657
where: short stacking energy: -2.635
Base-Backbone interact. energy: -0.269
local terms energy: -29.500218
where:
bonds (distance) C4'-P energy: -6.977
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: 4.847
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: 7
=====================================
Write number: 191
Temperature: 2.483333
Total energy: -39.775579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.775579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.775579 (E_RNA)
where:
Base-Base interactions energy: -4.400
where: short stacking energy: -3.550
Base-Backbone interact. energy: -0.269
local terms energy: -35.106413
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -6.832
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: 6.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 191
Temperature: 2.500000
Total energy: -39.593567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.593567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.593567 (E_RNA)
where:
Base-Base interactions energy: -6.581
where: short stacking energy: -2.767
Base-Backbone interact. energy: -0.303
local terms energy: -32.709959
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -9.411
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: 13.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 192
Temperature: 2.350000
Total energy: -43.412445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.412445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.412445 (E_RNA)
where:
Base-Base interactions energy: -5.844
where: short stacking energy: -5.844
Base-Backbone interact. energy: 0.004
local terms energy: -37.572351
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: 7.398
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: 3
=====================================
Write number: 192
Temperature: 2.366667
Total energy: -49.540108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.540108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.540108 (E_RNA)
where:
Base-Base interactions energy: -7.143
where: short stacking energy: -6.905
Base-Backbone interact. energy: -0.331
local terms energy: -42.065621
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: 7.513
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: 4
=====================================
Write number: 192
Temperature: 2.383333
Total energy: -33.436155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.436155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.436155 (E_RNA)
where:
Base-Base interactions energy: -9.912
where: short stacking energy: -6.898
Base-Backbone interact. energy: 0.304
local terms energy: -23.827716
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -5.861
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: 13.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 192
Temperature: 2.400000
Total energy: -35.863112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.863112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.863112 (E_RNA)
where:
Base-Base interactions energy: -1.748
where: short stacking energy: -1.402
Base-Backbone interact. energy: -0.251
local terms energy: -33.864142
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -1.941
tors. eta vs tors. theta energy: 8.565
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: 10
=====================================
Write number: 192
Temperature: 2.416667
Total energy: -36.454225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.454225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.454225 (E_RNA)
where:
Base-Base interactions energy: -8.182
where: short stacking energy: -8.182
Base-Backbone interact. energy: -0.402
local terms energy: -27.870986
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: 1.044
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: 8.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 192
Temperature: 2.433333
Total energy: -37.045688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.045688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.045688 (E_RNA)
where:
Base-Base interactions energy: -8.063
where: short stacking energy: -6.579
Base-Backbone interact. energy: 1.113
local terms energy: -30.094853
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -3.925
flat angles P-C4'-P energy: -4.747
tors. eta vs tors. theta energy: 8.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 192
Temperature: 2.450000
Total energy: -37.898920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.898920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.898920 (E_RNA)
where:
Base-Base interactions energy: -7.020
where: short stacking energy: -6.911
Base-Backbone interact. energy: 0.099
local terms energy: -30.977404
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -6.532
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: 4.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 192
Temperature: 2.466667
Total energy: -39.111308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.111308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.111308 (E_RNA)
where:
Base-Base interactions energy: -5.032
where: short stacking energy: -3.096
Base-Backbone interact. energy: -0.438
local terms energy: -33.641097
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -7.040
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: 6.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 192
Temperature: 2.483333
Total energy: -39.564709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.564709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.564709 (E_RNA)
where:
Base-Base interactions energy: -7.849
where: short stacking energy: -7.550
Base-Backbone interact. energy: 0.619
local terms energy: -32.335082
where:
bonds (distance) C4'-P energy: -7.200
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: 0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 192
Temperature: 2.500000
Total energy: -37.038466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.038466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.038466 (E_RNA)
where:
Base-Base interactions energy: -13.282
where: short stacking energy: -13.282
Base-Backbone interact. energy: 0.516
local terms energy: -24.272229
where:
bonds (distance) C4'-P energy: -3.811
bonds (distance) P-C4' energy: -10.776
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -0.064
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: 1, replica: 5
=====================================
Write number: 193
Temperature: 2.350000
Total energy: -39.891634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.891634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.891634 (E_RNA)
where:
Base-Base interactions energy: -5.011
where: short stacking energy: -4.673
Base-Backbone interact. energy: -0.314
local terms energy: -34.566645
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -8.565
flat angles P-C4'-P energy: -7.295
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: 2, replica: 4
=====================================
Write number: 193
Temperature: 2.366667
Total energy: -37.131126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.131126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.131126 (E_RNA)
where:
Base-Base interactions energy: -2.234
where: short stacking energy: -1.306
Base-Backbone interact. energy: 0.394
local terms energy: -35.290727
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -2.877
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: 3
=====================================
Write number: 193
Temperature: 2.383333
Total energy: -42.964331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.964331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.964331 (E_RNA)
where:
Base-Base interactions energy: -2.186
where: short stacking energy: 1.320
Base-Backbone interact. energy: 2.681
local terms energy: -43.459952
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -9.040
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: 8.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 193
Temperature: 2.400000
Total energy: -33.254253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.254253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.254253 (E_RNA)
where:
Base-Base interactions energy: -5.933
where: short stacking energy: -4.698
Base-Backbone interact. energy: 0.686
local terms energy: -28.007580
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -8.331
flat angles P-C4'-P energy: -5.232
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: 2
=====================================
Write number: 193
Temperature: 2.416667
Total energy: -37.216769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.216769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.216769 (E_RNA)
where:
Base-Base interactions energy: -8.334
where: short stacking energy: -3.185
Base-Backbone interact. energy: 1.930
local terms energy: -30.812539
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -4.836
flat angles P-C4'-P energy: -3.625
tors. eta vs tors. theta energy: 9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 193
Temperature: 2.433333
Total energy: -33.736423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.736423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.736423 (E_RNA)
where:
Base-Base interactions energy: -0.499
where: short stacking energy: -0.499
Base-Backbone interact. energy: 0.808
local terms energy: -34.045810
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -5.322
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: 7.950
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: 7, replica: 6
=====================================
Write number: 193
Temperature: 2.450000
Total energy: -36.773143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.773143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.773143 (E_RNA)
where:
Base-Base interactions energy: -3.686
where: short stacking energy: -3.686
Base-Backbone interact. energy: -0.566
local terms energy: -32.520537
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -2.937
tors. eta vs tors. theta energy: 14.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 193
Temperature: 2.466667
Total energy: -40.976014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.976014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.976014 (E_RNA)
where:
Base-Base interactions energy: -11.265
where: short stacking energy: -8.195
Base-Backbone interact. energy: 4.196
local terms energy: -33.907650
where:
bonds (distance) C4'-P energy: -7.138
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: 6.531
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: 9, replica: 9
=====================================
Write number: 193
Temperature: 2.483333
Total energy: -42.815798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.815798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.815798 (E_RNA)
where:
Base-Base interactions energy: -8.793
where: short stacking energy: -8.793
Base-Backbone interact. energy: -0.185
local terms energy: -33.838583
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -8.431
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: 0.385
tors. eta vs tors. theta energy: 2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 193
Temperature: 2.500000
Total energy: -31.458848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.458848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.458848 (E_RNA)
where:
Base-Base interactions energy: -2.772
where: short stacking energy: -2.772
Base-Backbone interact. energy: -0.290
local terms energy: -28.396715
where:
bonds (distance) C4'-P energy: -6.758
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -7.326
flat angles P-C4'-P energy: -6.916
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: 1, replica: 4
=====================================
Write number: 194
Temperature: 2.350000
Total energy: -35.391932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.391932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.391932 (E_RNA)
where:
Base-Base interactions energy: -5.849
where: short stacking energy: -5.313
Base-Backbone interact. energy: -0.571
local terms energy: -28.971801
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -1.274
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: 5
=====================================
Write number: 194
Temperature: 2.366667
Total energy: -40.834338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.834338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.834338 (E_RNA)
where:
Base-Base interactions energy: -8.116
where: short stacking energy: -6.697
Base-Backbone interact. energy: 2.182
local terms energy: -34.900020
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -3.002
flat angles P-C4'-P energy: -3.998
tors. eta vs tors. theta energy: 2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 194
Temperature: 2.383333
Total energy: -35.451503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.451503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.451503 (E_RNA)
where:
Base-Base interactions energy: -11.072
where: short stacking energy: -10.124
Base-Backbone interact. energy: -0.592
local terms energy: -23.787741
where:
bonds (distance) C4'-P energy: -8.887
bonds (distance) P-C4' energy: -6.913
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -1.638
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: 4, replica: 3
=====================================
Write number: 194
Temperature: 2.400000
Total energy: -40.816289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.816289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.816289 (E_RNA)
where:
Base-Base interactions energy: -7.883
where: short stacking energy: -6.365
Base-Backbone interact. energy: -0.550
local terms energy: -32.383612
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -0.097
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: 9.538
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: 5, replica: 8
=====================================
Write number: 194
Temperature: 2.416667
Total energy: -34.131896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.131896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.131896 (E_RNA)
where:
Base-Base interactions energy: -11.368
where: short stacking energy: -9.738
Base-Backbone interact. energy: 0.591
local terms energy: -23.355380
where:
bonds (distance) C4'-P energy: -3.761
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -3.620
flat angles P-C4'-P energy: -9.521
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: 6, replica: 2
=====================================
Write number: 194
Temperature: 2.433333
Total energy: -39.565956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.565956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.565956 (E_RNA)
where:
Base-Base interactions energy: -7.382
where: short stacking energy: -5.081
Base-Backbone interact. energy: -0.730
local terms energy: -31.454076
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -4.655
tors. eta vs tors. theta energy: 9.212
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: 1
=====================================
Write number: 194
Temperature: 2.450000
Total energy: -35.516688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.516688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.516688 (E_RNA)
where:
Base-Base interactions energy: -14.038
where: short stacking energy: -11.418
Base-Backbone interact. energy: -0.292
local terms energy: -21.187003
where:
bonds (distance) C4'-P energy: -4.776
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: 1.812
tors. eta vs tors. theta energy: 8.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 194
Temperature: 2.466667
Total energy: -33.373027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.373027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.373027 (E_RNA)
where:
Base-Base interactions energy: -8.105
where: short stacking energy: -8.105
Base-Backbone interact. energy: 2.971
local terms energy: -28.239438
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -3.192
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: 8.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 2.483333
Total energy: -33.777297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.777297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.777297 (E_RNA)
where:
Base-Base interactions energy: -5.975
where: short stacking energy: -2.284
Base-Backbone interact. energy: -0.243
local terms energy: -27.559018
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -3.812
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: 10.450
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: 9
=====================================
Write number: 194
Temperature: 2.500000
Total energy: -33.285733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.285733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.285733 (E_RNA)
where:
Base-Base interactions energy: -7.642
where: short stacking energy: -7.642
Base-Backbone interact. energy: 0.549
local terms energy: -26.192316
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -2.611
tors. eta vs tors. theta energy: 11.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 195
Temperature: 2.350000
Total energy: -40.018923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.018923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.018923 (E_RNA)
where:
Base-Base interactions energy: -8.638
where: short stacking energy: -6.685
Base-Backbone interact. energy: -0.705
local terms energy: -30.676345
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -10.063
flat angles C4'-P-C4' energy: -9.318
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: 7.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 195
Temperature: 2.366667
Total energy: -38.748021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.748021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.748021 (E_RNA)
where:
Base-Base interactions energy: -5.556
where: short stacking energy: -1.935
Base-Backbone interact. energy: 0.184
local terms energy: -33.375181
where:
bonds (distance) C4'-P energy: -4.253
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -0.186
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: 3, replica: 5
=====================================
Write number: 195
Temperature: 2.383333
Total energy: -39.115468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.115468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.115468 (E_RNA)
where:
Base-Base interactions energy: -4.883
where: short stacking energy: -4.838
Base-Backbone interact. energy: -0.570
local terms energy: -33.662645
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -9.973
flat angles C4'-P-C4' energy: -7.567
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: 7.291
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: 195
Temperature: 2.400000
Total energy: -39.397856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.397856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.397856 (E_RNA)
where:
Base-Base interactions energy: -5.798
where: short stacking energy: -5.651
Base-Backbone interact. energy: 0.821
local terms energy: -34.420272
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -4.247
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: 4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 195
Temperature: 2.416667
Total energy: -33.332079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.332079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.332079 (E_RNA)
where:
Base-Base interactions energy: -0.950
where: short stacking energy: -1.215
Base-Backbone interact. energy: 0.082
local terms energy: -32.464393
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -4.026
tors. eta vs tors. theta energy: 13.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 195
Temperature: 2.433333
Total energy: -43.029372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.029372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.029372 (E_RNA)
where:
Base-Base interactions energy: -5.455
where: short stacking energy: -5.381
Base-Backbone interact. energy: 0.300
local terms energy: -37.875048
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -6.177
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: 8.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 195
Temperature: 2.450000
Total energy: -40.431898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.431898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.431898 (E_RNA)
where:
Base-Base interactions energy: -15.667
where: short stacking energy: -15.280
Base-Backbone interact. energy: 3.527
local terms energy: -28.291291
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -6.530
flat angles P-C4'-P energy: 0.424
tors. eta vs tors. theta energy: 6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 195
Temperature: 2.466667
Total energy: -33.900377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.900377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.900377 (E_RNA)
where:
Base-Base interactions energy: -9.806
where: short stacking energy: -7.540
Base-Backbone interact. energy: 3.780
local terms energy: -27.873857
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -1.077
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: 8.027
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: 6
=====================================
Write number: 195
Temperature: 2.483333
Total energy: -42.295369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.295369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.295369 (E_RNA)
where:
Base-Base interactions energy: -11.485
where: short stacking energy: -9.865
Base-Backbone interact. energy: -0.021
local terms energy: -30.789419
where:
bonds (distance) C4'-P energy: -9.155
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -1.278
flat angles P-C4'-P energy: -6.522
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: 10, replica: 9
=====================================
Write number: 195
Temperature: 2.500000
Total energy: -40.457610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.457610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.457610 (E_RNA)
where:
Base-Base interactions energy: -9.828
where: short stacking energy: -8.479
Base-Backbone interact. energy: -0.139
local terms energy: -30.490997
where:
bonds (distance) C4'-P energy: -5.363
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -1.266
tors. eta vs tors. theta energy: 4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 196
Temperature: 2.350000
Total energy: -41.169144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.169144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.169144 (E_RNA)
where:
Base-Base interactions energy: -5.693
where: short stacking energy: -5.310
Base-Backbone interact. energy: -0.223
local terms energy: -35.253391
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -6.050
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -8.739
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: 196
Temperature: 2.366667
Total energy: -38.626585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.626585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.626585 (E_RNA)
where:
Base-Base interactions energy: -9.636
where: short stacking energy: -6.781
Base-Backbone interact. energy: -0.302
local terms energy: -28.688069
where:
bonds (distance) C4'-P energy: -7.280
bonds (distance) P-C4' energy: -9.125
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: 4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 196
Temperature: 2.383333
Total energy: -39.571700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.571700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.571700 (E_RNA)
where:
Base-Base interactions energy: -3.998
where: short stacking energy: -5.198
Base-Backbone interact. energy: 1.270
local terms energy: -36.843837
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -4.924
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: 4, replica: 5
=====================================
Write number: 196
Temperature: 2.400000
Total energy: -35.482891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.482891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.482891 (E_RNA)
where:
Base-Base interactions energy: -1.386
where: short stacking energy: -0.464
Base-Backbone interact. energy: -0.252
local terms energy: -33.844456
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -6.618
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: 6.981
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: 5, replica: 1
=====================================
Write number: 196
Temperature: 2.416667
Total energy: -39.424251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.424251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.424251 (E_RNA)
where:
Base-Base interactions energy: -9.878
where: short stacking energy: -1.405
Base-Backbone interact. energy: -0.102
local terms energy: -29.444261
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: 1.169
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: 6, replica: 3
=====================================
Write number: 196
Temperature: 2.433333
Total energy: -43.629608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.629608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.629608 (E_RNA)
where:
Base-Base interactions energy: -8.055
where: short stacking energy: -6.210
Base-Backbone interact. energy: 1.565
local terms energy: -37.139167
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: 8.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 2.450000
Total energy: -36.721165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.721165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.721165 (E_RNA)
where:
Base-Base interactions energy: -16.514
where: short stacking energy: -16.514
Base-Backbone interact. energy: 0.091
local terms energy: -20.298067
where:
bonds (distance) C4'-P energy: -8.610
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -2.218
flat angles P-C4'-P energy: -3.020
tors. eta vs tors. theta energy: 5.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 196
Temperature: 2.466667
Total energy: -38.890209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.890209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.890209 (E_RNA)
where:
Base-Base interactions energy: -8.284
where: short stacking energy: -6.672
Base-Backbone interact. energy: -0.204
local terms energy: -30.402491
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -3.727
flat angles P-C4'-P energy: 0.689
tors. eta vs tors. theta energy: 2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 2.483333
Total energy: -37.282467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.282467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.282467 (E_RNA)
where:
Base-Base interactions energy: -5.042
where: short stacking energy: -3.341
Base-Backbone interact. energy: -0.535
local terms energy: -31.704928
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -9.092
flat angles P-C4'-P energy: -1.419
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: 6
=====================================
Write number: 196
Temperature: 2.500000
Total energy: -40.972676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.972676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.972676 (E_RNA)
where:
Base-Base interactions energy: -7.113
where: short stacking energy: -5.079
Base-Backbone interact. energy: 0.909
local terms energy: -34.769085
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -9.144
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: 10.569
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: 1, replica: 10
=====================================
Write number: 197
Temperature: 2.350000
Total energy: -34.169401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.169401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.169401 (E_RNA)
where:
Base-Base interactions energy: -8.033
where: short stacking energy: -8.033
Base-Backbone interact. energy: 1.785
local terms energy: -27.921515
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -7.667
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: 9.235
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: 8
=====================================
Write number: 197
Temperature: 2.366667
Total energy: -44.691626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.691626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.691626 (E_RNA)
where:
Base-Base interactions energy: -17.291
where: short stacking energy: -17.291
Base-Backbone interact. energy: 1.735
local terms energy: -29.135002
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: 4.406
tors. eta vs tors. theta energy: 1.893
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: 4
=====================================
Write number: 197
Temperature: 2.383333
Total energy: -37.971498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.971498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.971498 (E_RNA)
where:
Base-Base interactions energy: -21.079
where: short stacking energy: -21.050
Base-Backbone interact. energy: -0.265
local terms energy: -16.627796
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -6.817
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: 3.772
tors. eta vs tors. theta energy: 5.270
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: 4, replica: 1
=====================================
Write number: 197
Temperature: 2.400000
Total energy: -35.765361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.765361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.765361 (E_RNA)
where:
Base-Base interactions energy: -11.882
where: short stacking energy: -11.392
Base-Backbone interact. energy: -0.265
local terms energy: -23.618335
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -3.077
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: 9.145
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: 5
=====================================
Write number: 197
Temperature: 2.416667
Total energy: -38.092779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.092779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.092779 (E_RNA)
where:
Base-Base interactions energy: -8.886
where: short stacking energy: -8.986
Base-Backbone interact. energy: -0.419
local terms energy: -28.787505
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -10.044
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -0.444
tors. eta vs tors. theta energy: 9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 197
Temperature: 2.433333
Total energy: -35.174089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.174089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.174089 (E_RNA)
where:
Base-Base interactions energy: -2.968
where: short stacking energy: -1.706
Base-Backbone interact. energy: -0.218
local terms energy: -31.988826
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -7.641
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: 9.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 197
Temperature: 2.450000
Total energy: -33.249378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.249378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.249378 (E_RNA)
where:
Base-Base interactions energy: -7.415
where: short stacking energy: -4.335
Base-Backbone interact. energy: -0.277
local terms energy: -25.557389
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -5.480
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: 9.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 197
Temperature: 2.466667
Total energy: -41.943173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.943173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.943173 (E_RNA)
where:
Base-Base interactions energy: -8.835
where: short stacking energy: -8.976
Base-Backbone interact. energy: 0.802
local terms energy: -33.909670
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -4.940
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 197
Temperature: 2.483333
Total energy: -39.736371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.736371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.736371 (E_RNA)
where:
Base-Base interactions energy: -2.099
where: short stacking energy: -1.811
Base-Backbone interact. energy: -1.774
local terms energy: -35.863744
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: 11.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 2.500000
Total energy: -32.025346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.025346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.025346 (E_RNA)
where:
Base-Base interactions energy: -6.361
where: short stacking energy: -4.987
Base-Backbone interact. energy: 1.730
local terms energy: -27.393960
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: 0.269
flat angles P-C4'-P energy: -4.356
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: 1, replica: 8
=====================================
Write number: 198
Temperature: 2.350000
Total energy: -36.695256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.695256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.695256 (E_RNA)
where:
Base-Base interactions energy: -9.020
where: short stacking energy: -6.621
Base-Backbone interact. energy: -0.114
local terms energy: -27.561537
where:
bonds (distance) C4'-P energy: -8.354
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -7.842
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: 6.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 198
Temperature: 2.366667
Total energy: -38.342034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.342034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.342034 (E_RNA)
where:
Base-Base interactions energy: -4.274
where: short stacking energy: -1.564
Base-Backbone interact. energy: 4.663
local terms energy: -38.730743
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -4.038
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: 1
=====================================
Write number: 198
Temperature: 2.383333
Total energy: -45.002730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.002730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.002730 (E_RNA)
where:
Base-Base interactions energy: -3.077
where: short stacking energy: -2.675
Base-Backbone interact. energy: -0.396
local terms energy: -41.529410
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -3.911
tors. eta vs tors. theta energy: 7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 198
Temperature: 2.400000
Total energy: -36.020658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.020658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.020658 (E_RNA)
where:
Base-Base interactions energy: -7.634
where: short stacking energy: -7.617
Base-Backbone interact. energy: 3.207
local terms energy: -31.593965
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -9.347
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -2.121
tors. eta vs tors. theta energy: 9.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 198
Temperature: 2.416667
Total energy: -39.402775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.402775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.402775 (E_RNA)
where:
Base-Base interactions energy: -8.047
where: short stacking energy: -6.689
Base-Backbone interact. energy: -0.381
local terms energy: -30.975061
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -8.658
flat angles P-C4'-P energy: -2.931
tors. eta vs tors. theta energy: 3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 2.433333
Total energy: -35.260995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.260995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.260995 (E_RNA)
where:
Base-Base interactions energy: -1.929
where: short stacking energy: -2.262
Base-Backbone interact. energy: -0.227
local terms energy: -33.105301
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -11.198
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: 10.357
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: 9
=====================================
Write number: 198
Temperature: 2.450000
Total energy: -39.252950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.252950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.252950 (E_RNA)
where:
Base-Base interactions energy: -11.387
where: short stacking energy: -5.947
Base-Backbone interact. energy: -0.643
local terms energy: -27.222337
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -3.103
flat angles P-C4'-P energy: -8.231
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: 8, replica: 3
=====================================
Write number: 198
Temperature: 2.466667
Total energy: -44.817607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.817607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.817607 (E_RNA)
where:
Base-Base interactions energy: -6.427
where: short stacking energy: -5.336
Base-Backbone interact. energy: 0.257
local terms energy: -38.647952
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -1.460
tors. eta vs tors. theta energy: 5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 2.483333
Total energy: -37.059647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.059647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.059647 (E_RNA)
where:
Base-Base interactions energy: -3.424
where: short stacking energy: -3.424
Base-Backbone interact. energy: -0.109
local terms energy: -33.526418
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -1.802
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: 7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 198
Temperature: 2.500000
Total energy: -34.891753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.891753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.891753 (E_RNA)
where:
Base-Base interactions energy: -4.399
where: short stacking energy: -3.273
Base-Backbone interact. energy: -0.379
local terms energy: -30.113346
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: 0.335
tors. eta vs tors. theta energy: 9.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 199
Temperature: 2.350000
Total energy: -43.470480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.470480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.470480 (E_RNA)
where:
Base-Base interactions energy: -6.415
where: short stacking energy: -5.691
Base-Backbone interact. energy: -0.493
local terms energy: -36.561942
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -9.935
flat angles C4'-P-C4' energy: -8.075
flat angles P-C4'-P energy: -7.623
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: 2, replica: 1
=====================================
Write number: 199
Temperature: 2.366667
Total energy: -36.503695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.503695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.503695 (E_RNA)
where:
Base-Base interactions energy: -10.780
where: short stacking energy: -3.955
Base-Backbone interact. energy: 1.712
local terms energy: -27.435936
where:
bonds (distance) C4'-P energy: -9.845
bonds (distance) P-C4' energy: -7.366
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: 11.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 199
Temperature: 2.383333
Total energy: -36.664149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.664149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.664149 (E_RNA)
where:
Base-Base interactions energy: -10.528
where: short stacking energy: -9.553
Base-Backbone interact. energy: -0.121
local terms energy: -26.015093
where:
bonds (distance) C4'-P energy: -6.666
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -1.494
tors. eta vs tors. theta energy: 7.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 199
Temperature: 2.400000
Total energy: -39.046926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.046926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.046926 (E_RNA)
where:
Base-Base interactions energy: -16.737
where: short stacking energy: -11.449
Base-Backbone interact. energy: 0.171
local terms energy: -22.481083
where:
bonds (distance) C4'-P energy: -6.877
bonds (distance) P-C4' energy: -8.506
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -1.939
tors. eta vs tors. theta energy: 6.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 199
Temperature: 2.416667
Total energy: -39.502557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.502557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.502557 (E_RNA)
where:
Base-Base interactions energy: -7.623
where: short stacking energy: -7.623
Base-Backbone interact. energy: -0.226
local terms energy: -31.654071
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -8.479
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -5.988
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: 6, replica: 9
=====================================
Write number: 199
Temperature: 2.433333
Total energy: -33.676114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.676114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.676114 (E_RNA)
where:
Base-Base interactions energy: -9.947
where: short stacking energy: -9.773
Base-Backbone interact. energy: -0.191
local terms energy: -23.538783
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -1.930
tors. eta vs tors. theta energy: 8.538
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: 5
=====================================
Write number: 199
Temperature: 2.450000
Total energy: -33.193690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.193690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.193690 (E_RNA)
where:
Base-Base interactions energy: -4.029
where: short stacking energy: -1.334
Base-Backbone interact. energy: 3.449
local terms energy: -32.613510
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -6.656
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: 10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 2.466667
Total energy: -32.742718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.742718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.742718 (E_RNA)
where:
Base-Base interactions energy: -2.525
where: short stacking energy: -1.912
Base-Backbone interact. energy: -1.256
local terms energy: -28.961271
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -8.355
flat angles P-C4'-P energy: -0.527
tors. eta vs tors. theta energy: 9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 199
Temperature: 2.483333
Total energy: -40.607351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.607351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.607351 (E_RNA)
where:
Base-Base interactions energy: -8.347
where: short stacking energy: -8.347
Base-Backbone interact. energy: -0.258
local terms energy: -32.002197
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -1.878
flat angles P-C4'-P energy: -10.521
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: 10, replica: 2
=====================================
Write number: 199
Temperature: 2.500000
Total energy: -39.386604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.386604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.386604 (E_RNA)
where:
Base-Base interactions energy: -8.904
where: short stacking energy: -8.509
Base-Backbone interact. energy: -0.355
local terms energy: -30.127979
where:
bonds (distance) C4'-P energy: -7.688
bonds (distance) P-C4' energy: -10.787
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -6.630
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: 1, replica: 1
=====================================
Write number: 200
Temperature: 2.350000
Total energy: -41.771875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.771875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.771875 (E_RNA)
where:
Base-Base interactions energy: -6.658
where: short stacking energy: -6.138
Base-Backbone interact. energy: 0.291
local terms energy: -35.404392
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: 10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 200
Temperature: 2.366667
Total energy: -39.245856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.245856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.245856 (E_RNA)
where:
Base-Base interactions energy: -4.788
where: short stacking energy: -4.647
Base-Backbone interact. energy: -0.633
local terms energy: -33.824968
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -2.199
tors. eta vs tors. theta energy: 9.366
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: 200
Temperature: 2.383333
Total energy: -45.447671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.447671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.447671 (E_RNA)
where:
Base-Base interactions energy: -16.089
where: short stacking energy: -15.155
Base-Backbone interact. energy: -0.159
local terms energy: -29.198805
where:
bonds (distance) C4'-P energy: -6.494
bonds (distance) P-C4' energy: -9.085
flat angles C4'-P-C4' energy: -6.379
flat angles P-C4'-P energy: -9.198
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: 4, replica: 10
=====================================
Write number: 200
Temperature: 2.400000
Total energy: -33.097090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.097090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.097090 (E_RNA)
where:
Base-Base interactions energy: -5.428
where: short stacking energy: -5.411
Base-Backbone interact. energy: -0.078
local terms energy: -27.590445
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -7.177
flat angles P-C4'-P energy: -2.436
tors. eta vs tors. theta energy: 7.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 200
Temperature: 2.416667
Total energy: -37.373976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.373976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.373976 (E_RNA)
where:
Base-Base interactions energy: -6.847
where: short stacking energy: -6.847
Base-Backbone interact. energy: -0.954
local terms energy: -29.572878
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: 1.318
tors. eta vs tors. theta energy: 6.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 200
Temperature: 2.433333
Total energy: -34.281590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.281590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.281590 (E_RNA)
where:
Base-Base interactions energy: -8.607
where: short stacking energy: -8.607
Base-Backbone interact. energy: 0.124
local terms energy: -25.798765
where:
bonds (distance) C4'-P energy: -5.213
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -2.517
tors. eta vs tors. theta energy: 9.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 2.450000
Total energy: -39.510910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.510910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.510910 (E_RNA)
where:
Base-Base interactions energy: -2.494
where: short stacking energy: -1.795
Base-Backbone interact. energy: -0.285
local terms energy: -36.732253
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -4.137
tors. eta vs tors. theta energy: 5.925
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: 5
=====================================
Write number: 200
Temperature: 2.466667
Total energy: -36.485050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.485050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.485050 (E_RNA)
where:
Base-Base interactions energy: -7.733
where: short stacking energy: -7.733
Base-Backbone interact. energy: -0.128
local terms energy: -28.623440
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -6.837
flat angles P-C4'-P energy: -2.229
tors. eta vs tors. theta energy: 6.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 200
Temperature: 2.483333
Total energy: -38.900018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.900018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.900018 (E_RNA)
where:
Base-Base interactions energy: -11.647
where: short stacking energy: -10.128
Base-Backbone interact. energy: -0.150
local terms energy: -27.102877
where:
bonds (distance) C4'-P energy: -1.890
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -10.245
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: 4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 200
Temperature: 2.500000
Total energy: -38.485040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.485040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.485040 (E_RNA)
where:
Base-Base interactions energy: -3.290
where: short stacking energy: -1.672
Base-Backbone interact. energy: 1.937
local terms energy: -37.131735
where:
bonds (distance) C4'-P energy: -7.000
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: 9.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 2.350000
Total energy: -34.859427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.859427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.859427 (E_RNA)
where:
Base-Base interactions energy: -2.697
where: short stacking energy: -1.492
Base-Backbone interact. energy: -0.203
local terms energy: -31.959015
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -4.855
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: 8.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 201
Temperature: 2.366667
Total energy: -39.007626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.007626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.007626 (E_RNA)
where:
Base-Base interactions energy: -1.003
where: short stacking energy: -1.003
Base-Backbone interact. energy: 3.262
local terms energy: -41.266929
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: 7.208
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: 8
=====================================
Write number: 201
Temperature: 2.383333
Total energy: -33.896505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.896505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.896505 (E_RNA)
where:
Base-Base interactions energy: -4.367
where: short stacking energy: -4.367
Base-Backbone interact. energy: 2.616
local terms energy: -32.145329
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -6.281
flat angles P-C4'-P energy: -7.852
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: 4, replica: 9
=====================================
Write number: 201
Temperature: 2.400000
Total energy: -35.818934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.818934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.818934 (E_RNA)
where:
Base-Base interactions energy: -7.670
where: short stacking energy: -5.193
Base-Backbone interact. energy: -0.363
local terms energy: -27.785829
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -2.898
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: 7.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 201
Temperature: 2.416667
Total energy: -41.594114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.594114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.594114 (E_RNA)
where:
Base-Base interactions energy: -3.018
where: short stacking energy: -4.918
Base-Backbone interact. energy: -1.306
local terms energy: -37.271008
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -10.460
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: 8.691
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: 6
=====================================
Write number: 201
Temperature: 2.433333
Total energy: -36.383392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.383392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.383392 (E_RNA)
where:
Base-Base interactions energy: -6.799
where: short stacking energy: -6.799
Base-Backbone interact. energy: -0.718
local terms energy: -28.865863
where:
bonds (distance) C4'-P energy: -7.909
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -7.564
flat angles P-C4'-P energy: -5.408
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: 7, replica: 4
=====================================
Write number: 201
Temperature: 2.450000
Total energy: -46.586586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.586586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.586586 (E_RNA)
where:
Base-Base interactions energy: -14.976
where: short stacking energy: -14.780
Base-Backbone interact. energy: -0.275
local terms energy: -31.335457
where:
bonds (distance) C4'-P energy: -9.119
bonds (distance) P-C4' energy: -8.205
flat angles C4'-P-C4' energy: -6.235
flat angles P-C4'-P energy: -10.298
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: 8, replica: 2
=====================================
Write number: 201
Temperature: 2.466667
Total energy: -36.505691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.505691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.505691 (E_RNA)
where:
Base-Base interactions energy: -0.434
where: short stacking energy: -0.434
Base-Backbone interact. energy: -0.167
local terms energy: -35.904420
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -6.364
flat angles P-C4'-P energy: -7.414
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: 5
=====================================
Write number: 201
Temperature: 2.483333
Total energy: -36.937251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.937251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.937251 (E_RNA)
where:
Base-Base interactions energy: -9.564
where: short stacking energy: -8.734
Base-Backbone interact. energy: -0.268
local terms energy: -27.105940
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -10.139
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -3.859
tors. eta vs tors. theta energy: 12.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 201
Temperature: 2.500000
Total energy: -41.426636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.426636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.426636 (E_RNA)
where:
Base-Base interactions energy: -9.635
where: short stacking energy: -6.329
Base-Backbone interact. energy: -0.435
local terms energy: -31.357063
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -7.336
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: 7.877
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: 202
Temperature: 2.350000
Total energy: -35.915437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.915437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.915437 (E_RNA)
where:
Base-Base interactions energy: -7.514
where: short stacking energy: -4.437
Base-Backbone interact. energy: -0.275
local terms energy: -28.126135
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -4.939
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: 10.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 2.366667
Total energy: -33.969293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.969293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.969293 (E_RNA)
where:
Base-Base interactions energy: -10.310
where: short stacking energy: -6.849
Base-Backbone interact. energy: -0.261
local terms energy: -23.398289
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -7.220
flat angles P-C4'-P energy: 5.360
tors. eta vs tors. theta energy: 7.577
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: 3, replica: 9
=====================================
Write number: 202
Temperature: 2.383333
Total energy: -40.251934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.251934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.251934 (E_RNA)
where:
Base-Base interactions energy: -7.298
where: short stacking energy: -7.598
Base-Backbone interact. energy: 0.200
local terms energy: -33.153702
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: 5.399
tors. eta vs tors. theta energy: 5.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 202
Temperature: 2.400000
Total energy: -35.071415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.071415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.071415 (E_RNA)
where:
Base-Base interactions energy: -7.411
where: short stacking energy: -4.865
Base-Backbone interact. energy: 0.042
local terms energy: -27.702241
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -3.770
tors. eta vs tors. theta energy: 7.177
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: 6
=====================================
Write number: 202
Temperature: 2.416667
Total energy: -34.972986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.972986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.972986 (E_RNA)
where:
Base-Base interactions energy: -5.303
where: short stacking energy: -1.849
Base-Backbone interact. energy: -0.824
local terms energy: -28.845788
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -7.036
flat angles P-C4'-P energy: -3.207
tors. eta vs tors. theta energy: 10.111
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: 10
=====================================
Write number: 202
Temperature: 2.433333
Total energy: -34.145321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.145321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.145321 (E_RNA)
where:
Base-Base interactions energy: -11.570
where: short stacking energy: -11.570
Base-Backbone interact. energy: -0.295
local terms energy: -22.280308
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -8.217
flat angles C4'-P-C4' energy: -7.372
flat angles P-C4'-P energy: -0.685
tors. eta vs tors. theta energy: 5.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 202
Temperature: 2.450000
Total energy: -41.838801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.838801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.838801 (E_RNA)
where:
Base-Base interactions energy: -10.797
where: short stacking energy: -8.882
Base-Backbone interact. energy: -0.197
local terms energy: -30.844476
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -7.939
flat angles P-C4'-P energy: 1.314
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: 8, replica: 4
=====================================
Write number: 202
Temperature: 2.466667
Total energy: -35.266155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.266155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.266155 (E_RNA)
where:
Base-Base interactions energy: -6.153
where: short stacking energy: -6.153
Base-Backbone interact. energy: -0.482
local terms energy: -28.631304
where:
bonds (distance) C4'-P energy: -7.439
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -8.133
flat angles P-C4'-P energy: 0.366
tors. eta vs tors. theta energy: 1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 202
Temperature: 2.483333
Total energy: -37.282250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.282250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.282250 (E_RNA)
where:
Base-Base interactions energy: -11.544
where: short stacking energy: -7.013
Base-Backbone interact. energy: -0.084
local terms energy: -25.654371
where:
bonds (distance) C4'-P energy: -6.344
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -3.035
tors. eta vs tors. theta energy: 7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 202
Temperature: 2.500000
Total energy: -33.977545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.977545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.977545 (E_RNA)
where:
Base-Base interactions energy: -12.146
where: short stacking energy: -10.368
Base-Backbone interact. energy: -0.359
local terms energy: -21.471668
where:
bonds (distance) C4'-P energy: -6.451
bonds (distance) P-C4' energy: -12.916
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: 5.328
tors. eta vs tors. theta energy: 2.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 203
Temperature: 2.350000
Total energy: -36.102639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.102639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.102639 (E_RNA)
where:
Base-Base interactions energy: -16.744
where: short stacking energy: -9.635
Base-Backbone interact. energy: -0.358
local terms energy: -19.000352
where:
bonds (distance) C4'-P energy: -5.663
bonds (distance) P-C4' energy: -3.926
flat angles C4'-P-C4' energy: -8.936
flat angles P-C4'-P energy: -7.996
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: 2, replica: 9
=====================================
Write number: 203
Temperature: 2.366667
Total energy: -39.896785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.896785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.896785 (E_RNA)
where:
Base-Base interactions energy: -11.033
where: short stacking energy: -10.777
Base-Backbone interact. energy: -0.219
local terms energy: -28.645693
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -19.515
flat angles C4'-P-C4' energy: -7.865
flat angles P-C4'-P energy: 5.138
tors. eta vs tors. theta energy: 5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 2.383333
Total energy: -34.245869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.245869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.245869 (E_RNA)
where:
Base-Base interactions energy: -3.531
where: short stacking energy: -3.295
Base-Backbone interact. energy: -0.277
local terms energy: -30.437128
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -6.316
flat angles P-C4'-P energy: -2.529
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: 4, replica: 6
=====================================
Write number: 203
Temperature: 2.400000
Total energy: -37.583321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.583321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.583321 (E_RNA)
where:
Base-Base interactions energy: -4.805
where: short stacking energy: -6.134
Base-Backbone interact. energy: -0.148
local terms energy: -32.630465
where:
bonds (distance) C4'-P energy: -2.577
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -10.310
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: 4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 203
Temperature: 2.416667
Total energy: -32.729647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.729647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.729647 (E_RNA)
where:
Base-Base interactions energy: -10.121
where: short stacking energy: -10.121
Base-Backbone interact. energy: -0.712
local terms energy: -21.896632
where:
bonds (distance) C4'-P energy: -6.406
bonds (distance) P-C4' energy: -7.565
flat angles C4'-P-C4' energy: -8.140
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: 4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 2.433333
Total energy: -34.876775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.876775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.876775 (E_RNA)
where:
Base-Base interactions energy: -18.647
where: short stacking energy: -12.764
Base-Backbone interact. energy: -0.375
local terms energy: -15.854862
where:
bonds (distance) C4'-P energy: -3.132
bonds (distance) P-C4' energy: -9.887
flat angles C4'-P-C4' energy: -4.486
flat angles P-C4'-P energy: -5.200
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: 10
=====================================
Write number: 203
Temperature: 2.450000
Total energy: -35.588713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.588713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.588713 (E_RNA)
where:
Base-Base interactions energy: -8.978
where: short stacking energy: -8.339
Base-Backbone interact. energy: -0.078
local terms energy: -26.533328
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -4.826
flat angles P-C4'-P energy: -2.366
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: 8, replica: 3
=====================================
Write number: 203
Temperature: 2.466667
Total energy: -42.203720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.203720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.203720 (E_RNA)
where:
Base-Base interactions energy: -8.985
where: short stacking energy: -5.875
Base-Backbone interact. energy: -0.832
local terms energy: -32.386403
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -8.857
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -7.182
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: 9, replica: 4
=====================================
Write number: 203
Temperature: 2.483333
Total energy: -35.143628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.143628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.143628 (E_RNA)
where:
Base-Base interactions energy: -10.608
where: short stacking energy: -4.435
Base-Backbone interact. energy: -0.326
local terms energy: -24.209098
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: 1.819
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: 6.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 203
Temperature: 2.500000
Total energy: -36.112202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.112202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.112202 (E_RNA)
where:
Base-Base interactions energy: -6.231
where: short stacking energy: -4.673
Base-Backbone interact. energy: -0.293
local terms energy: -29.588670
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -8.581
flat angles P-C4'-P energy: -1.683
tors. eta vs tors. theta energy: 6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 204
Temperature: 2.350000
Total energy: -38.482932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.482932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.482932 (E_RNA)
where:
Base-Base interactions energy: -3.763
where: short stacking energy: -3.763
Base-Backbone interact. energy: -0.256
local terms energy: -34.464562
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -18.874
flat angles C4'-P-C4' energy: -9.056
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: 8.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 204
Temperature: 2.366667
Total energy: -43.159066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.159066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.159066 (E_RNA)
where:
Base-Base interactions energy: -13.770
where: short stacking energy: -12.437
Base-Backbone interact. energy: -0.029
local terms energy: -29.360171
where:
bonds (distance) C4'-P energy: -6.232
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -2.154
tors. eta vs tors. theta energy: 4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 2.383333
Total energy: -44.160826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.160826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.160826 (E_RNA)
where:
Base-Base interactions energy: -10.756
where: short stacking energy: -10.756
Base-Backbone interact. energy: 1.507
local terms energy: -34.911280
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -2.686
tors. eta vs tors. theta energy: 6.225
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: 1
=====================================
Write number: 204
Temperature: 2.400000
Total energy: -38.747966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.747966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.747966 (E_RNA)
where:
Base-Base interactions energy: -3.674
where: short stacking energy: -3.674
Base-Backbone interact. energy: -0.057
local terms energy: -35.016882
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -3.912
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: 5, replica: 2
=====================================
Write number: 204
Temperature: 2.416667
Total energy: -37.868000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.868000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.868000 (E_RNA)
where:
Base-Base interactions energy: -6.941
where: short stacking energy: -6.941
Base-Backbone interact. energy: 1.529
local terms energy: -32.456730
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -3.475
tors. eta vs tors. theta energy: 8.268
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: 6, replica: 8
=====================================
Write number: 204
Temperature: 2.433333
Total energy: -42.801503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.801503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.801503 (E_RNA)
where:
Base-Base interactions energy: -21.280
where: short stacking energy: -18.164
Base-Backbone interact. energy: -0.561
local terms energy: -20.959760
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: 1.244
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -0.722
tors. eta vs tors. theta energy: 1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 204
Temperature: 2.450000
Total energy: -37.367665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.367665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.367665 (E_RNA)
where:
Base-Base interactions energy: -7.050
where: short stacking energy: -1.558
Base-Backbone interact. energy: 0.077
local terms energy: -30.393856
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: 9.811
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: 10
=====================================
Write number: 204
Temperature: 2.466667
Total energy: -39.776531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.776531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.776531 (E_RNA)
where:
Base-Base interactions energy: -9.801
where: short stacking energy: -6.980
Base-Backbone interact. energy: -0.383
local terms energy: -29.591895
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -9.036
flat angles C4'-P-C4' energy: -7.500
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: 5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 204
Temperature: 2.483333
Total energy: -40.173846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.173846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.173846 (E_RNA)
where:
Base-Base interactions energy: -1.845
where: short stacking energy: -1.845
Base-Backbone interact. energy: 0.890
local terms energy: -39.218852
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -3.503
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: 10, replica: 4
=====================================
Write number: 204
Temperature: 2.500000
Total energy: -40.715430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.715430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.715430 (E_RNA)
where:
Base-Base interactions energy: -7.928
where: short stacking energy: -7.928
Base-Backbone interact. energy: -0.366
local terms energy: -32.420992
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -1.781
tors. eta vs tors. theta energy: 8.666
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: 9
=====================================
Write number: 205
Temperature: 2.350000
Total energy: -43.642196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.642196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.642196 (E_RNA)
where:
Base-Base interactions energy: -14.384
where: short stacking energy: -8.850
Base-Backbone interact. energy: 0.126
local terms energy: -29.384230
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -8.091
flat angles P-C4'-P energy: -4.765
tors. eta vs tors. theta energy: 10.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 205
Temperature: 2.366667
Total energy: -38.511000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.511000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.511000 (E_RNA)
where:
Base-Base interactions energy: -10.483
where: short stacking energy: -9.843
Base-Backbone interact. energy: 0.429
local terms energy: -28.456820
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -9.969
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -1.475
tors. eta vs tors. theta energy: 6.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 205
Temperature: 2.383333
Total energy: -43.017108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.017108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.017108 (E_RNA)
where:
Base-Base interactions energy: -10.312
where: short stacking energy: -3.967
Base-Backbone interact. energy: 0.065
local terms energy: -32.770146
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -5.298
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: 4, replica: 2
=====================================
Write number: 205
Temperature: 2.400000
Total energy: -36.371715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.371715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.371715 (E_RNA)
where:
Base-Base interactions energy: -4.912
where: short stacking energy: -3.540
Base-Backbone interact. energy: -0.194
local terms energy: -31.265642
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -6.140
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: 7.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 205
Temperature: 2.416667
Total energy: -38.185637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.185637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.185637 (E_RNA)
where:
Base-Base interactions energy: -5.378
where: short stacking energy: -1.926
Base-Backbone interact. energy: -0.041
local terms energy: -32.766370
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -4.086
flat angles P-C4'-P energy: -5.438
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: 6, replica: 3
=====================================
Write number: 205
Temperature: 2.433333
Total energy: -31.976323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.976323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.976323 (E_RNA)
where:
Base-Base interactions energy: -4.772
where: short stacking energy: -3.752
Base-Backbone interact. energy: -0.135
local terms energy: -27.069316
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -4.529
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: 8.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 2.450000
Total energy: -36.786746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.786746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.786746 (E_RNA)
where:
Base-Base interactions energy: -4.573
where: short stacking energy: -2.715
Base-Backbone interact. energy: -0.288
local terms energy: -31.925067
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -8.674
flat angles C4'-P-C4' energy: -5.855
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: 4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 2.466667
Total energy: -32.822336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.822336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.822336 (E_RNA)
where:
Base-Base interactions energy: -12.275
where: short stacking energy: -11.222
Base-Backbone interact. energy: -0.371
local terms energy: -20.176625
where:
bonds (distance) C4'-P energy: -4.888
bonds (distance) P-C4' energy: -8.969
flat angles C4'-P-C4' energy: -4.165
flat angles P-C4'-P energy: -6.447
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: 10
=====================================
Write number: 205
Temperature: 2.483333
Total energy: -38.017144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.017144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.017144 (E_RNA)
where:
Base-Base interactions energy: -14.165
where: short stacking energy: -14.165
Base-Backbone interact. energy: -0.879
local terms energy: -22.973363
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: 3.590
flat angles P-C4'-P energy: -0.851
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: 10, replica: 4
=====================================
Write number: 205
Temperature: 2.500000
Total energy: -36.552658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.552658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.552658 (E_RNA)
where:
Base-Base interactions energy: -3.980
where: short stacking energy: -3.912
Base-Backbone interact. energy: 1.248
local terms energy: -33.820560
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -7.497
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: 7.544
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: 6
=====================================
Write number: 206
Temperature: 2.350000
Total energy: -42.052677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.052677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.052677 (E_RNA)
where:
Base-Base interactions energy: -5.919
where: short stacking energy: -5.132
Base-Backbone interact. energy: -0.218
local terms energy: -35.915104
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -5.892
flat angles P-C4'-P energy: -4.709
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: 2, replica: 9
=====================================
Write number: 206
Temperature: 2.366667
Total energy: -38.468320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.468320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.468320 (E_RNA)
where:
Base-Base interactions energy: -9.909
where: short stacking energy: -8.052
Base-Backbone interact. energy: 0.023
local terms energy: -28.581711
where:
bonds (distance) C4'-P energy: -2.737
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -6.861
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: 3.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 206
Temperature: 2.383333
Total energy: -36.450160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.450160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.450160 (E_RNA)
where:
Base-Base interactions energy: -6.476
where: short stacking energy: -5.488
Base-Backbone interact. energy: -0.222
local terms energy: -29.752396
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -5.028
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: 11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 206
Temperature: 2.400000
Total energy: -33.559288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.559288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.559288 (E_RNA)
where:
Base-Base interactions energy: -3.452
where: short stacking energy: -3.063
Base-Backbone interact. energy: -0.285
local terms energy: -29.821958
where:
bonds (distance) C4'-P energy: -9.269
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -2.056
tors. eta vs tors. theta energy: 9.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 206
Temperature: 2.416667
Total energy: -39.142087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.142087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.142087 (E_RNA)
where:
Base-Base interactions energy: -11.134
where: short stacking energy: -11.134
Base-Backbone interact. energy: -0.070
local terms energy: -27.938396
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -4.304
flat angles P-C4'-P energy: -1.152
tors. eta vs tors. theta energy: 5.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 206
Temperature: 2.433333
Total energy: -40.523679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.523679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.523679 (E_RNA)
where:
Base-Base interactions energy: -6.022
where: short stacking energy: -5.526
Base-Backbone interact. energy: -0.130
local terms energy: -34.371688
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -4.905
flat angles P-C4'-P energy: -2.877
tors. eta vs tors. theta energy: 4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 206
Temperature: 2.450000
Total energy: -40.277099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.277099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.277099 (E_RNA)
where:
Base-Base interactions energy: -9.836
where: short stacking energy: -9.265
Base-Backbone interact. energy: -0.161
local terms energy: -30.279872
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -7.932
flat angles C4'-P-C4' energy: -4.685
flat angles P-C4'-P energy: -5.469
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: 8, replica: 8
=====================================
Write number: 206
Temperature: 2.466667
Total energy: -32.361379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.361379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.361379 (E_RNA)
where:
Base-Base interactions energy: -5.515
where: short stacking energy: -5.515
Base-Backbone interact. energy: -0.387
local terms energy: -26.458624
where:
bonds (distance) C4'-P energy: -4.803
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -1.169
tors. eta vs tors. theta energy: 7.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 206
Temperature: 2.483333
Total energy: -34.642132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.642132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.642132 (E_RNA)
where:
Base-Base interactions energy: -4.623
where: short stacking energy: -3.906
Base-Backbone interact. energy: 1.487
local terms energy: -31.506024
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -10.786
flat angles C4'-P-C4' energy: -6.029
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: 6.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 2.500000
Total energy: -38.545389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.545389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.545389 (E_RNA)
where:
Base-Base interactions energy: -5.906
where: short stacking energy: -4.578
Base-Backbone interact. energy: -1.165
local terms energy: -31.474924
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -3.603
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: 7.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 207
Temperature: 2.350000
Total energy: -36.847645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.847645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.847645 (E_RNA)
where:
Base-Base interactions energy: -5.883
where: short stacking energy: -3.930
Base-Backbone interact. energy: -0.033
local terms energy: -30.931409
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: 1.593
tors. eta vs tors. theta energy: 4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 207
Temperature: 2.366667
Total energy: -40.120988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.120988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.120988 (E_RNA)
where:
Base-Base interactions energy: -10.689
where: short stacking energy: -8.362
Base-Backbone interact. energy: 2.423
local terms energy: -31.855142
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -3.297
tors. eta vs tors. theta energy: 11.267
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: 3, replica: 9
=====================================
Write number: 207
Temperature: 2.383333
Total energy: -36.492433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.492433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.492433 (E_RNA)
where:
Base-Base interactions energy: -6.520
where: short stacking energy: -6.520
Base-Backbone interact. energy: -1.377
local terms energy: -28.595558
where:
bonds (distance) C4'-P energy: -0.757
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -7.367
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: 7.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 207
Temperature: 2.400000
Total energy: -43.555696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.555696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.555696 (E_RNA)
where:
Base-Base interactions energy: -13.245
where: short stacking energy: -13.099
Base-Backbone interact. energy: -0.319
local terms energy: -29.991063
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -5.368
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: 2.427
tors. eta vs tors. theta energy: -0.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 207
Temperature: 2.416667
Total energy: -36.901434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.901434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.901434 (E_RNA)
where:
Base-Base interactions energy: -11.890
where: short stacking energy: -11.694
Base-Backbone interact. energy: -0.265
local terms energy: -24.746916
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: 0.809
flat angles P-C4'-P energy: -4.537
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: 6, replica: 5
=====================================
Write number: 207
Temperature: 2.433333
Total energy: -39.285657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.285657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.285657 (E_RNA)
where:
Base-Base interactions energy: -8.324
where: short stacking energy: -8.324
Base-Backbone interact. energy: 1.772
local terms energy: -32.733290
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -8.119
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: 8.120
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: 1
=====================================
Write number: 207
Temperature: 2.450000
Total energy: -35.506859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.506859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.506859 (E_RNA)
where:
Base-Base interactions energy: -1.436
where: short stacking energy: -1.189
Base-Backbone interact. energy: -0.137
local terms energy: -33.933567
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -6.086
flat angles P-C4'-P energy: -5.734
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: 8, replica: 4
=====================================
Write number: 207
Temperature: 2.466667
Total energy: -37.479633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.479633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.479633 (E_RNA)
where:
Base-Base interactions energy: -7.852
where: short stacking energy: -8.007
Base-Backbone interact. energy: -0.269
local terms energy: -29.359372
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -6.333
flat angles P-C4'-P energy: -5.821
tors. eta vs tors. theta energy: 10.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 2.483333
Total energy: -30.624778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.624778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.624778 (E_RNA)
where:
Base-Base interactions energy: -1.521
where: short stacking energy: -0.711
Base-Backbone interact. energy: -0.185
local terms energy: -28.918858
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: 6.530
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: 7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 2.500000
Total energy: -42.272186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.272186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.272186 (E_RNA)
where:
Base-Base interactions energy: -6.224
where: short stacking energy: -5.191
Base-Backbone interact. energy: -0.080
local terms energy: -35.968782
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -7.986
flat angles P-C4'-P energy: -7.348
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: 1, replica: 2
=====================================
Write number: 208
Temperature: 2.350000
Total energy: -39.098176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.098176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.098176 (E_RNA)
where:
Base-Base interactions energy: -0.536
where: short stacking energy: 1.610
Base-Backbone interact. energy: -0.533
local terms energy: -38.028960
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -8.688
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: 6
=====================================
Write number: 208
Temperature: 2.366667
Total energy: -44.272926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.272926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.272926 (E_RNA)
where:
Base-Base interactions energy: -10.019
where: short stacking energy: -8.151
Base-Backbone interact. energy: -0.121
local terms energy: -34.132121
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -5.590
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: 7.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 208
Temperature: 2.383333
Total energy: -36.904020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.904020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.904020 (E_RNA)
where:
Base-Base interactions energy: -5.070
where: short stacking energy: -5.270
Base-Backbone interact. energy: -0.486
local terms energy: -31.347874
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: 8.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 208
Temperature: 2.400000
Total energy: -35.172973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.172973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.172973 (E_RNA)
where:
Base-Base interactions energy: -6.804
where: short stacking energy: -3.951
Base-Backbone interact. energy: -0.564
local terms energy: -27.805047
where:
bonds (distance) C4'-P energy: -2.714
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: 8.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 208
Temperature: 2.416667
Total energy: -39.766124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.766124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.766124 (E_RNA)
where:
Base-Base interactions energy: -6.624
where: short stacking energy: -6.624
Base-Backbone interact. energy: 0.989
local terms energy: -34.130853
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -8.657
flat angles P-C4'-P energy: -2.801
tors. eta vs tors. theta energy: 8.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 208
Temperature: 2.433333
Total energy: -34.413143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.413143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.413143 (E_RNA)
where:
Base-Base interactions energy: -7.312
where: short stacking energy: -4.954
Base-Backbone interact. energy: -0.034
local terms energy: -27.067936
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -3.745
flat angles P-C4'-P energy: 0.101
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: 4
=====================================
Write number: 208
Temperature: 2.450000
Total energy: -40.587039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.587039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.587039 (E_RNA)
where:
Base-Base interactions energy: -3.264
where: short stacking energy: -3.264
Base-Backbone interact. energy: -0.159
local terms energy: -37.163940
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -6.594
flat angles P-C4'-P energy: -5.547
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: 1
=====================================
Write number: 208
Temperature: 2.466667
Total energy: -33.199016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.199016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.199016 (E_RNA)
where:
Base-Base interactions energy: -0.958
where: short stacking energy: -0.801
Base-Backbone interact. energy: 1.407
local terms energy: -33.648078
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -6.021
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: 5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 2.483333
Total energy: -40.146044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.146044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.146044 (E_RNA)
where:
Base-Base interactions energy: -12.410
where: short stacking energy: -12.410
Base-Backbone interact. energy: -0.120
local terms energy: -27.615707
where:
bonds (distance) C4'-P energy: -7.563
bonds (distance) P-C4' energy: -7.315
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -3.854
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: 10, replica: 8
=====================================
Write number: 208
Temperature: 2.500000
Total energy: -36.198023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.198023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.198023 (E_RNA)
where:
Base-Base interactions energy: -6.234
where: short stacking energy: -4.125
Base-Backbone interact. energy: 0.354
local terms energy: -30.318009
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -11.263
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -3.229
tors. eta vs tors. theta energy: 10.215
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: 2
=====================================
Write number: 209
Temperature: 2.350000
Total energy: -39.941043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.941043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.941043 (E_RNA)
where:
Base-Base interactions energy: -5.953
where: short stacking energy: -5.953
Base-Backbone interact. energy: -0.449
local terms energy: -33.538582
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: 0.609
tors. eta vs tors. theta energy: 1.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 209
Temperature: 2.366667
Total energy: -40.465195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.465195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.465195 (E_RNA)
where:
Base-Base interactions energy: -4.881
where: short stacking energy: -4.559
Base-Backbone interact. energy: 0.025
local terms energy: -35.609084
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: 10.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 209
Temperature: 2.383333
Total energy: -37.739935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.739935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.739935 (E_RNA)
where:
Base-Base interactions energy: -7.917
where: short stacking energy: -7.917
Base-Backbone interact. energy: -0.276
local terms energy: -29.546861
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: 1.729
tors. eta vs tors. theta energy: 7.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 2.400000
Total energy: -44.521046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.521046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.521046 (E_RNA)
where:
Base-Base interactions energy: -6.938
where: short stacking energy: -4.250
Base-Backbone interact. energy: -0.075
local terms energy: -37.507671
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -2.552
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: 209
Temperature: 2.416667
Total energy: -36.577208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.577208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.577208 (E_RNA)
where:
Base-Base interactions energy: -6.052
where: short stacking energy: -6.052
Base-Backbone interact. energy: -0.296
local terms energy: -30.229287
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -5.094
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: 3.692
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: 4
=====================================
Write number: 209
Temperature: 2.433333
Total energy: -37.726392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.726392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.726392 (E_RNA)
where:
Base-Base interactions energy: -5.866
where: short stacking energy: -3.124
Base-Backbone interact. energy: -0.206
local terms energy: -31.654176
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -2.263
tors. eta vs tors. theta energy: 6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 2.450000
Total energy: -41.293378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.293378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.293378 (E_RNA)
where:
Base-Base interactions energy: -4.552
where: short stacking energy: -4.552
Base-Backbone interact. energy: -0.396
local terms energy: -36.345673
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -10.199
flat angles P-C4'-P energy: 2.167
tors. eta vs tors. theta energy: 8.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 2.466667
Total energy: -38.583368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.583368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.583368 (E_RNA)
where:
Base-Base interactions energy: -7.098
where: short stacking energy: -5.927
Base-Backbone interact. energy: -0.299
local terms energy: -31.185827
where:
bonds (distance) C4'-P energy: -8.663
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: 11.710
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: 1
=====================================
Write number: 209
Temperature: 2.483333
Total energy: -39.570360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.570360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.570360 (E_RNA)
where:
Base-Base interactions energy: -10.289
where: short stacking energy: -10.313
Base-Backbone interact. energy: -0.131
local terms energy: -29.150107
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -1.612
tors. eta vs tors. theta energy: 9.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 209
Temperature: 2.500000
Total energy: -43.464813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.464813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.464813 (E_RNA)
where:
Base-Base interactions energy: -14.092
where: short stacking energy: -13.786
Base-Backbone interact. energy: -0.298
local terms energy: -29.075030
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -8.817
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: 8.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 210
Temperature: 2.350000
Total energy: -47.127663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.127663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.127663 (E_RNA)
where:
Base-Base interactions energy: -10.988
where: short stacking energy: -3.439
Base-Backbone interact. energy: 0.583
local terms energy: -36.722499
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -8.364
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: 10.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 210
Temperature: 2.366667
Total energy: -36.462151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.462151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.462151 (E_RNA)
where:
Base-Base interactions energy: -11.176
where: short stacking energy: -6.396
Base-Backbone interact. energy: 0.055
local terms energy: -25.341439
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -0.770
tors. eta vs tors. theta energy: 6.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 210
Temperature: 2.383333
Total energy: -34.805848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.805848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.805848 (E_RNA)
where:
Base-Base interactions energy: -3.183
where: short stacking energy: -2.997
Base-Backbone interact. energy: -0.309
local terms energy: -31.314404
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -9.832
flat angles C4'-P-C4' energy: -7.184
flat angles P-C4'-P energy: -4.973
tors. eta vs tors. theta energy: 6.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 210
Temperature: 2.400000
Total energy: -41.836861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.836861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.836861 (E_RNA)
where:
Base-Base interactions energy: -1.799
where: short stacking energy: -0.225
Base-Backbone interact. energy: 0.330
local terms energy: -40.368258
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: 8.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 210
Temperature: 2.416667
Total energy: -36.124617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.124617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.124617 (E_RNA)
where:
Base-Base interactions energy: -2.507
where: short stacking energy: 0.259
Base-Backbone interact. energy: 1.630
local terms energy: -35.247489
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -9.804
flat angles P-C4'-P energy: -4.186
tors. eta vs tors. theta energy: 9.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 210
Temperature: 2.433333
Total energy: -44.613429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.613429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.613429 (E_RNA)
where:
Base-Base interactions energy: -10.194
where: short stacking energy: -8.513
Base-Backbone interact. energy: 5.647
local terms energy: -40.066858
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -10.139
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: 1.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 210
Temperature: 2.450000
Total energy: -37.955320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.955320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.955320 (E_RNA)
where:
Base-Base interactions energy: -10.863
where: short stacking energy: -8.855
Base-Backbone interact. energy: 0.091
local terms energy: -27.183048
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: 3.153
tors. eta vs tors. theta energy: 5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 210
Temperature: 2.466667
Total energy: -42.885995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.885995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.885995 (E_RNA)
where:
Base-Base interactions energy: -9.783
where: short stacking energy: -6.691
Base-Backbone interact. energy: 0.244
local terms energy: -33.347364
where:
bonds (distance) C4'-P energy: -6.897
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: 4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 2.483333
Total energy: -32.442012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.442012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.442012 (E_RNA)
where:
Base-Base interactions energy: -1.100
where: short stacking energy: -1.100
Base-Backbone interact. energy: 0.513
local terms energy: -31.855472
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -0.006
tors. eta vs tors. theta energy: 7.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 210
Temperature: 2.500000
Total energy: -35.332849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.332849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.332849 (E_RNA)
where:
Base-Base interactions energy: -9.230
where: short stacking energy: -5.400
Base-Backbone interact. energy: 7.053
local terms energy: -33.155840
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -8.741
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: 13.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 211
Temperature: 2.350000
Total energy: -37.304878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.304878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.304878 (E_RNA)
where:
Base-Base interactions energy: -4.230
where: short stacking energy: -4.230
Base-Backbone interact. energy: -0.343
local terms energy: -32.731613
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -7.243
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: 9.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 211
Temperature: 2.366667
Total energy: -37.758450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.758450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.758450 (E_RNA)
where:
Base-Base interactions energy: -7.343
where: short stacking energy: -7.343
Base-Backbone interact. energy: 0.510
local terms energy: -30.925727
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -5.243
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: 7.030
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: 3, replica: 2
=====================================
Write number: 211
Temperature: 2.383333
Total energy: -39.895894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.895894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.895894 (E_RNA)
where:
Base-Base interactions energy: -11.779
where: short stacking energy: -11.779
Base-Backbone interact. energy: -0.261
local terms energy: -27.855887
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -7.433
flat angles P-C4'-P energy: -0.114
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: 4, replica: 4
=====================================
Write number: 211
Temperature: 2.400000
Total energy: -36.386050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.386050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.386050 (E_RNA)
where:
Base-Base interactions energy: -5.092
where: short stacking energy: -1.452
Base-Backbone interact. energy: -0.464
local terms energy: -30.829963
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -9.629
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: 9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 211
Temperature: 2.416667
Total energy: -40.400679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.400679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.400679 (E_RNA)
where:
Base-Base interactions energy: -9.046
where: short stacking energy: -8.192
Base-Backbone interact. energy: 1.732
local terms energy: -33.086202
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -8.242
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: 11.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 211
Temperature: 2.433333
Total energy: -39.159557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.159557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.159557 (E_RNA)
where:
Base-Base interactions energy: -7.753
where: short stacking energy: -8.705
Base-Backbone interact. energy: 2.182
local terms energy: -33.588606
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -6.897
flat angles P-C4'-P energy: -2.541
tors. eta vs tors. theta energy: 2.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 2.450000
Total energy: -43.258903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.258903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.258903 (E_RNA)
where:
Base-Base interactions energy: -12.648
where: short stacking energy: -12.191
Base-Backbone interact. energy: 3.172
local terms energy: -33.782653
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -4.065
flat angles P-C4'-P energy: -2.546
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: 8, replica: 8
=====================================
Write number: 211
Temperature: 2.466667
Total energy: -40.256813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.256813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.256813 (E_RNA)
where:
Base-Base interactions energy: -5.906
where: short stacking energy: -5.512
Base-Backbone interact. energy: -0.254
local terms energy: -34.096149
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -2.850
tors. eta vs tors. theta energy: 7.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 211
Temperature: 2.483333
Total energy: -37.539506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.539506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.539506 (E_RNA)
where:
Base-Base interactions energy: -3.792
where: short stacking energy: -2.231
Base-Backbone interact. energy: -0.413
local terms energy: -33.334838
where:
bonds (distance) C4'-P energy: -9.123
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: 12.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 211
Temperature: 2.500000
Total energy: -35.663509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.663509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.663509 (E_RNA)
where:
Base-Base interactions energy: -10.066
where: short stacking energy: -10.066
Base-Backbone interact. energy: 1.443
local terms energy: -27.040926
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -6.537
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -1.097
tors. eta vs tors. theta energy: 9.135
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: 1, replica: 5
=====================================
Write number: 212
Temperature: 2.350000
Total energy: -36.160134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.160134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.160134 (E_RNA)
where:
Base-Base interactions energy: -5.732
where: short stacking energy: -5.553
Base-Backbone interact. energy: -0.163
local terms energy: -30.265155
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -8.148
flat angles P-C4'-P energy: -1.603
tors. eta vs tors. theta energy: 8.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 212
Temperature: 2.366667
Total energy: -40.038037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.038037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.038037 (E_RNA)
where:
Base-Base interactions energy: -3.251
where: short stacking energy: -2.961
Base-Backbone interact. energy: -1.313
local terms energy: -35.473949
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -16.714
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: 13.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 212
Temperature: 2.383333
Total energy: -43.265682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.265682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.265682 (E_RNA)
where:
Base-Base interactions energy: -6.000
where: short stacking energy: -3.621
Base-Backbone interact. energy: -0.138
local terms energy: -37.127200
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: 6.979
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: 2
=====================================
Write number: 212
Temperature: 2.400000
Total energy: -37.307636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.307636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.307636 (E_RNA)
where:
Base-Base interactions energy: -11.625
where: short stacking energy: -13.004
Base-Backbone interact. energy: -0.177
local terms energy: -25.505971
where:
bonds (distance) C4'-P energy: -8.419
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: 6.937
tors. eta vs tors. theta energy: 6.664
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: 5, replica: 10
=====================================
Write number: 212
Temperature: 2.416667
Total energy: -42.030155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.030155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.030155 (E_RNA)
where:
Base-Base interactions energy: -14.154
where: short stacking energy: -12.856
Base-Backbone interact. energy: -0.236
local terms energy: -27.639912
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -9.453
flat angles C4'-P-C4' energy: -1.189
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: 6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 212
Temperature: 2.433333
Total energy: -36.636520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.636520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.636520 (E_RNA)
where:
Base-Base interactions energy: -9.176
where: short stacking energy: -9.176
Base-Backbone interact. energy: -0.155
local terms energy: -27.305539
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -1.639
flat angles P-C4'-P energy: -5.880
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: 7, replica: 8
=====================================
Write number: 212
Temperature: 2.450000
Total energy: -41.366652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.366652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.366652 (E_RNA)
where:
Base-Base interactions energy: -12.768
where: short stacking energy: -11.769
Base-Backbone interact. energy: 0.021
local terms energy: -28.619202
where:
bonds (distance) C4'-P energy: -8.139
bonds (distance) P-C4' energy: -9.506
flat angles C4'-P-C4' energy: -7.589
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: 5.254
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: 9
=====================================
Write number: 212
Temperature: 2.466667
Total energy: -30.780734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.780734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.780734 (E_RNA)
where:
Base-Base interactions energy: -3.868
where: short stacking energy: -3.292
Base-Backbone interact. energy: -0.827
local terms energy: -26.085929
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -4.846
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: 9.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 212
Temperature: 2.483333
Total energy: -35.502237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.502237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.502237 (E_RNA)
where:
Base-Base interactions energy: -8.636
where: short stacking energy: -7.292
Base-Backbone interact. energy: -0.290
local terms energy: -26.575720
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -10.949
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -1.859
tors. eta vs tors. theta energy: 9.212
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: 7
=====================================
Write number: 212
Temperature: 2.500000
Total energy: -42.842733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.842733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.842733 (E_RNA)
where:
Base-Base interactions energy: -8.585
where: short stacking energy: -7.201
Base-Backbone interact. energy: 6.276
local terms energy: -40.533125
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: 11.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 213
Temperature: 2.350000
Total energy: -38.956432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.956432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.956432 (E_RNA)
where:
Base-Base interactions energy: -2.018
where: short stacking energy: -1.800
Base-Backbone interact. energy: 0.748
local terms energy: -37.686882
where:
bonds (distance) C4'-P energy: -19.021
bonds (distance) P-C4' energy: -8.668
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: 9.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 2.366667
Total energy: -37.450851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.450851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.450851 (E_RNA)
where:
Base-Base interactions energy: -7.441
where: short stacking energy: -6.633
Base-Backbone interact. energy: -0.170
local terms energy: -29.840332
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -0.434
tors. eta vs tors. theta energy: 7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 213
Temperature: 2.383333
Total energy: -35.770935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.770935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.770935 (E_RNA)
where:
Base-Base interactions energy: -3.060
where: short stacking energy: -3.060
Base-Backbone interact. energy: -0.256
local terms energy: -32.455095
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: 9.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 213
Temperature: 2.400000
Total energy: -39.835122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.835122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.835122 (E_RNA)
where:
Base-Base interactions energy: -7.472
where: short stacking energy: -6.959
Base-Backbone interact. energy: -0.287
local terms energy: -32.076182
where:
bonds (distance) C4'-P energy: -8.638
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: 11.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 2.416667
Total energy: -35.566343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.566343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.566343 (E_RNA)
where:
Base-Base interactions energy: -7.105
where: short stacking energy: -8.505
Base-Backbone interact. energy: -0.055
local terms energy: -28.406428
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -6.660
flat angles P-C4'-P energy: 4.457
tors. eta vs tors. theta energy: 6.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 213
Temperature: 2.433333
Total energy: -41.414508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.414508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.414508 (E_RNA)
where:
Base-Base interactions energy: -3.388
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.488
local terms energy: -37.538635
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -10.191
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: 10.621
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: 6
=====================================
Write number: 213
Temperature: 2.450000
Total energy: -40.406645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.406645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.406645 (E_RNA)
where:
Base-Base interactions energy: -5.451
where: short stacking energy: -5.330
Base-Backbone interact. energy: 0.105
local terms energy: -35.060745
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -9.628
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: 10.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 213
Temperature: 2.466667
Total energy: -36.215670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.215670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.215670 (E_RNA)
where:
Base-Base interactions energy: -8.758
where: short stacking energy: -5.523
Base-Backbone interact. energy: 1.563
local terms energy: -29.019887
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -2.373
flat angles P-C4'-P energy: 3.946
tors. eta vs tors. theta energy: 2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 2.483333
Total energy: -35.972118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.972118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.972118 (E_RNA)
where:
Base-Base interactions energy: -7.892
where: short stacking energy: -5.800
Base-Backbone interact. energy: -0.237
local terms energy: -27.843369
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -1.757
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: 6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 213
Temperature: 2.500000
Total energy: -37.878338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.878338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.878338 (E_RNA)
where:
Base-Base interactions energy: -5.109
where: short stacking energy: -5.630
Base-Backbone interact. energy: -0.123
local terms energy: -32.646142
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -8.743
flat angles P-C4'-P energy: -3.152
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: 1, replica: 4
=====================================
Write number: 214
Temperature: 2.350000
Total energy: -35.446390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.446390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.446390 (E_RNA)
where:
Base-Base interactions energy: -13.038
where: short stacking energy: -8.462
Base-Backbone interact. energy: -0.378
local terms energy: -22.030142
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -7.254
flat angles P-C4'-P energy: 2.202
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: 214
Temperature: 2.366667
Total energy: -37.182463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.182463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.182463 (E_RNA)
where:
Base-Base interactions energy: -11.417
where: short stacking energy: -8.349
Base-Backbone interact. energy: -0.631
local terms energy: -25.134636
where:
bonds (distance) C4'-P energy: -6.042
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -8.398
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: 10.346
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: 3, replica: 10
=====================================
Write number: 214
Temperature: 2.383333
Total energy: -39.928164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.928164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.928164 (E_RNA)
where:
Base-Base interactions energy: -10.715
where: short stacking energy: -10.524
Base-Backbone interact. energy: -0.491
local terms energy: -28.721898
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -0.636
flat angles P-C4'-P energy: 2.074
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: 4, replica: 3
=====================================
Write number: 214
Temperature: 2.400000
Total energy: -35.981019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.981019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.981019 (E_RNA)
where:
Base-Base interactions energy: -10.719
where: short stacking energy: -8.387
Base-Backbone interact. energy: -0.430
local terms energy: -24.832012
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -6.629
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: 10.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 214
Temperature: 2.416667
Total energy: -41.552140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.552140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.552140 (E_RNA)
where:
Base-Base interactions energy: -9.187
where: short stacking energy: -8.116
Base-Backbone interact. energy: -0.140
local terms energy: -32.225852
where:
bonds (distance) C4'-P energy: -7.685
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -9.199
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: 5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 214
Temperature: 2.433333
Total energy: -36.485166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.485166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.485166 (E_RNA)
where:
Base-Base interactions energy: -3.888
where: short stacking energy: -4.288
Base-Backbone interact. energy: -0.137
local terms energy: -32.459510
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -4.201
tors. eta vs tors. theta energy: 5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 214
Temperature: 2.450000
Total energy: -34.210442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.210442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.210442 (E_RNA)
where:
Base-Base interactions energy: -9.865
where: short stacking energy: -7.083
Base-Backbone interact. energy: -0.183
local terms energy: -24.162925
where:
bonds (distance) C4'-P energy: -5.842
bonds (distance) P-C4' energy: -9.530
flat angles C4'-P-C4' energy: -7.845
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: 8.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 2.466667
Total energy: -39.541857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.541857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.541857 (E_RNA)
where:
Base-Base interactions energy: -4.126
where: short stacking energy: -5.457
Base-Backbone interact. energy: 1.254
local terms energy: -36.669880
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -8.239
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: 7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 214
Temperature: 2.483333
Total energy: -33.047903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.047903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.047903 (E_RNA)
where:
Base-Base interactions energy: -5.184
where: short stacking energy: -5.035
Base-Backbone interact. energy: -0.125
local terms energy: -27.738869
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -4.875
flat angles P-C4'-P energy: -9.238
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: 10, replica: 9
=====================================
Write number: 214
Temperature: 2.500000
Total energy: -42.356120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.356120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.356120 (E_RNA)
where:
Base-Base interactions energy: -6.720
where: short stacking energy: -4.804
Base-Backbone interact. energy: -0.201
local terms energy: -35.434338
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -0.824
tors. eta vs tors. theta energy: 10.277
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: 4
=====================================
Write number: 215
Temperature: 2.350000
Total energy: -45.848130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.848130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.848130 (E_RNA)
where:
Base-Base interactions energy: -6.054
where: short stacking energy: -5.459
Base-Backbone interact. energy: 1.362
local terms energy: -41.156153
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: 5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 215
Temperature: 2.366667
Total energy: -37.362979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.362979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.362979 (E_RNA)
where:
Base-Base interactions energy: -4.093
where: short stacking energy: -4.989
Base-Backbone interact. energy: -0.467
local terms energy: -32.802460
where:
bonds (distance) C4'-P energy: -8.545
bonds (distance) P-C4' energy: -9.293
flat angles C4'-P-C4' energy: -8.908
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: 0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 215
Temperature: 2.383333
Total energy: -38.381409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.381409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.381409 (E_RNA)
where:
Base-Base interactions energy: -6.388
where: short stacking energy: -6.086
Base-Backbone interact. energy: -0.224
local terms energy: -31.768999
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: 0.932
tors. eta vs tors. theta energy: 6.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 215
Temperature: 2.400000
Total energy: -49.362211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.362211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.362211 (E_RNA)
where:
Base-Base interactions energy: -9.685
where: short stacking energy: -9.163
Base-Backbone interact. energy: -0.826
local terms energy: -38.851162
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -7.648
flat angles P-C4'-P energy: -9.589
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: 3
=====================================
Write number: 215
Temperature: 2.416667
Total energy: -35.613737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.613737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.613737 (E_RNA)
where:
Base-Base interactions energy: -8.007
where: short stacking energy: -6.364
Base-Backbone interact. energy: -0.038
local terms energy: -27.568777
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: 4.184
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: 6, replica: 1
=====================================
Write number: 215
Temperature: 2.433333
Total energy: -32.639012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.639012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.639012 (E_RNA)
where:
Base-Base interactions energy: -7.417
where: short stacking energy: -7.417
Base-Backbone interact. energy: 0.239
local terms energy: -25.461175
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -7.686
flat angles P-C4'-P energy: 0.184
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: 7, replica: 2
=====================================
Write number: 215
Temperature: 2.450000
Total energy: -35.725107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.725107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.725107 (E_RNA)
where:
Base-Base interactions energy: -14.058
where: short stacking energy: -14.058
Base-Backbone interact. energy: -0.433
local terms energy: -21.233981
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -6.597
flat angles P-C4'-P energy: -0.225
tors. eta vs tors. theta energy: 9.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 215
Temperature: 2.466667
Total energy: -36.784614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.784614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.784614 (E_RNA)
where:
Base-Base interactions energy: -4.438
where: short stacking energy: -1.113
Base-Backbone interact. energy: -0.299
local terms energy: -32.047815
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -10.207
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: 10.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 215
Temperature: 2.483333
Total energy: -45.836326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.836326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.836326 (E_RNA)
where:
Base-Base interactions energy: -19.387
where: short stacking energy: -15.791
Base-Backbone interact. energy: -0.497
local terms energy: -25.953047
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -8.763
flat angles C4'-P-C4' energy: -1.854
flat angles P-C4'-P energy: -7.925
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: 10, replica: 9
=====================================
Write number: 215
Temperature: 2.500000
Total energy: -38.317913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.317913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.317913 (E_RNA)
where:
Base-Base interactions energy: -11.875
where: short stacking energy: -11.875
Base-Backbone interact. energy: -0.167
local terms energy: -26.276014
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -1.182
flat angles P-C4'-P energy: -3.020
tors. eta vs tors. theta energy: 6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 216
Temperature: 2.350000
Total energy: -38.114559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.114559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.114559 (E_RNA)
where:
Base-Base interactions energy: -8.015
where: short stacking energy: -5.730
Base-Backbone interact. energy: -0.178
local terms energy: -29.921632
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -4.922
tors. eta vs tors. theta energy: 11.428
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: 2, replica: 4
=====================================
Write number: 216
Temperature: 2.366667
Total energy: -43.466729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.466729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.466729 (E_RNA)
where:
Base-Base interactions energy: -19.464
where: short stacking energy: -18.243
Base-Backbone interact. energy: -1.407
local terms energy: -22.594948
where:
bonds (distance) C4'-P energy: -6.575
bonds (distance) P-C4' energy: -6.707
flat angles C4'-P-C4' energy: -3.230
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: 2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 216
Temperature: 2.383333
Total energy: -38.257122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.257122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.257122 (E_RNA)
where:
Base-Base interactions energy: -2.449
where: short stacking energy: -2.260
Base-Backbone interact. energy: 1.347
local terms energy: -37.154822
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: 7.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 216
Temperature: 2.400000
Total energy: -39.605752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.605752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.605752 (E_RNA)
where:
Base-Base interactions energy: -3.710
where: short stacking energy: -3.883
Base-Backbone interact. energy: -0.822
local terms energy: -35.074026
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -9.449
flat angles P-C4'-P energy: -3.879
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)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 216
Temperature: 2.416667
Total energy: -35.574457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.574457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.574457 (E_RNA)
where:
Base-Base interactions energy: -6.202
where: short stacking energy: -2.217
Base-Backbone interact. energy: 1.136
local terms energy: -30.508033
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -1.854
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: 3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 216
Temperature: 2.433333
Total energy: -40.124322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.124322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.124322 (E_RNA)
where:
Base-Base interactions energy: -7.480
where: short stacking energy: -11.324
Base-Backbone interact. energy: -0.246
local terms energy: -32.398839
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -9.863
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: 6.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 2.450000
Total energy: -44.870636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.870636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.870636 (E_RNA)
where:
Base-Base interactions energy: -9.951
where: short stacking energy: -6.189
Base-Backbone interact. energy: 2.348
local terms energy: -37.267483
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -4.644
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: 2
=====================================
Write number: 216
Temperature: 2.466667
Total energy: -41.064222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.064222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.064222 (E_RNA)
where:
Base-Base interactions energy: -7.965
where: short stacking energy: -3.516
Base-Backbone interact. energy: 1.283
local terms energy: -34.382736
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: 7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 2.483333
Total energy: -34.634449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.634449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.634449 (E_RNA)
where:
Base-Base interactions energy: -11.327
where: short stacking energy: -9.863
Base-Backbone interact. energy: -0.269
local terms energy: -23.038341
where:
bonds (distance) C4'-P energy: -2.429
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: 0.977
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: 10, replica: 6
=====================================
Write number: 216
Temperature: 2.500000
Total energy: -31.113871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.113871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.113871 (E_RNA)
where:
Base-Base interactions energy: -8.081
where: short stacking energy: -4.092
Base-Backbone interact. energy: 6.688
local terms energy: -29.720073
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -6.118
flat angles C4'-P-C4' energy: -6.894
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: 11.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 217
Temperature: 2.350000
Total energy: -39.909121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.909121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.909121 (E_RNA)
where:
Base-Base interactions energy: -6.081
where: short stacking energy: -5.903
Base-Backbone interact. energy: 0.167
local terms energy: -33.994749
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -9.683
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: 7.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 217
Temperature: 2.366667
Total energy: -33.985856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.985856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.985856 (E_RNA)
where:
Base-Base interactions energy: -3.739
where: short stacking energy: -3.571
Base-Backbone interact. energy: -0.262
local terms energy: -29.985769
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -6.169
flat angles P-C4'-P energy: -2.658
tors. eta vs tors. theta energy: 7.979
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: 4
=====================================
Write number: 217
Temperature: 2.383333
Total energy: -37.489487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.489487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.489487 (E_RNA)
where:
Base-Base interactions energy: -14.655
where: short stacking energy: -14.394
Base-Backbone interact. energy: 1.329
local terms energy: -24.162930
where:
bonds (distance) C4'-P energy: -4.332
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -4.386
flat angles P-C4'-P energy: -2.437
tors. eta vs tors. theta energy: 1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 217
Temperature: 2.400000
Total energy: -39.941921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.941921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.941921 (E_RNA)
where:
Base-Base interactions energy: -11.071
where: short stacking energy: -9.696
Base-Backbone interact. energy: -0.142
local terms energy: -28.728750
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -7.972
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: 10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 217
Temperature: 2.416667
Total energy: -38.517891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.517891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.517891 (E_RNA)
where:
Base-Base interactions energy: -11.677
where: short stacking energy: -8.623
Base-Backbone interact. energy: -0.567
local terms energy: -26.273657
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -1.374
flat angles P-C4'-P energy: -3.230
tors. eta vs tors. theta energy: 6.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 2.433333
Total energy: -38.858422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.858422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.858422 (E_RNA)
where:
Base-Base interactions energy: -11.054
where: short stacking energy: -8.987
Base-Backbone interact. energy: 2.783
local terms energy: -30.586904
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -4.782
flat angles P-C4'-P energy: -2.345
tors. eta vs tors. theta energy: 0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 217
Temperature: 2.450000
Total energy: -39.640639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.640639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.640639 (E_RNA)
where:
Base-Base interactions energy: -12.109
where: short stacking energy: -10.584
Base-Backbone interact. energy: -0.314
local terms energy: -27.217914
where:
bonds (distance) C4'-P energy: -7.615
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -5.078
flat angles P-C4'-P energy: -3.617
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: 8, replica: 9
=====================================
Write number: 217
Temperature: 2.466667
Total energy: -31.275669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.275669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.275669 (E_RNA)
where:
Base-Base interactions energy: -3.477
where: short stacking energy: -3.477
Base-Backbone interact. energy: 5.920
local terms energy: -33.718542
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -2.768
tors. eta vs tors. theta energy: 12.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 217
Temperature: 2.483333
Total energy: -32.916452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.916452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.916452 (E_RNA)
where:
Base-Base interactions energy: -4.333
where: short stacking energy: -4.333
Base-Backbone interact. energy: -0.317
local terms energy: -28.266657
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -8.214
flat angles C4'-P-C4' energy: -10.339
flat angles P-C4'-P energy: -2.273
tors. eta vs tors. theta energy: 7.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 217
Temperature: 2.500000
Total energy: -36.580815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.580815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.580815 (E_RNA)
where:
Base-Base interactions energy: -4.975
where: short stacking energy: -3.786
Base-Backbone interact. energy: 0.264
local terms energy: -31.869242
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: 6.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 218
Temperature: 2.350000
Total energy: -39.735350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.735350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.735350 (E_RNA)
where:
Base-Base interactions energy: -5.249
where: short stacking energy: -3.514
Base-Backbone interact. energy: -0.178
local terms energy: -34.307555
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -7.509
flat angles P-C4'-P energy: -4.758
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: 2, replica: 10
=====================================
Write number: 218
Temperature: 2.366667
Total energy: -45.857169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.857169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.857169 (E_RNA)
where:
Base-Base interactions energy: -10.526
where: short stacking energy: -10.926
Base-Backbone interact. energy: -0.479
local terms energy: -34.852315
where:
bonds (distance) C4'-P energy: -6.742
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -8.487
flat angles P-C4'-P energy: -6.001
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: 3, replica: 1
=====================================
Write number: 218
Temperature: 2.383333
Total energy: -39.988546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.988546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.988546 (E_RNA)
where:
Base-Base interactions energy: 0.312
where: short stacking energy: -0.543
Base-Backbone interact. energy: -0.077
local terms energy: -40.223566
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: 7.047
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: 4
=====================================
Write number: 218
Temperature: 2.400000
Total energy: -37.190035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.190035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.190035 (E_RNA)
where:
Base-Base interactions energy: -8.364
where: short stacking energy: -8.186
Base-Backbone interact. energy: -0.281
local terms energy: -28.545349
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -6.542
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: 7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 218
Temperature: 2.416667
Total energy: -38.746925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.746925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.746925 (E_RNA)
where:
Base-Base interactions energy: -9.643
where: short stacking energy: -8.875
Base-Backbone interact. energy: -0.461
local terms energy: -28.642771
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -6.746
flat angles P-C4'-P energy: 2.143
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: 6, replica: 5
=====================================
Write number: 218
Temperature: 2.433333
Total energy: -39.593047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.593047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.593047 (E_RNA)
where:
Base-Base interactions energy: -12.645
where: short stacking energy: -11.864
Base-Backbone interact. energy: 5.695
local terms energy: -32.642742
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -3.848
tors. eta vs tors. theta energy: 12.027
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: 9
=====================================
Write number: 218
Temperature: 2.450000
Total energy: -46.441647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.441647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.441647 (E_RNA)
where:
Base-Base interactions energy: -8.088
where: short stacking energy: -8.088
Base-Backbone interact. energy: -1.689
local terms energy: -36.664265
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: 5.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 218
Temperature: 2.466667
Total energy: -34.386108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.386108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.386108 (E_RNA)
where:
Base-Base interactions energy: -11.985
where: short stacking energy: -12.133
Base-Backbone interact. energy: -0.049
local terms energy: -22.352209
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -7.842
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: 0.835
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: 9, replica: 6
=====================================
Write number: 218
Temperature: 2.483333
Total energy: -45.212384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.212384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.212384 (E_RNA)
where:
Base-Base interactions energy: -8.649
where: short stacking energy: -8.531
Base-Backbone interact. energy: -0.070
local terms energy: -36.494089
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -2.303
tors. eta vs tors. theta energy: 4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 218
Temperature: 2.500000
Total energy: -37.002049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.002049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.002049 (E_RNA)
where:
Base-Base interactions energy: -10.919
where: short stacking energy: -10.919
Base-Backbone interact. energy: -0.174
local terms energy: -25.909054
where:
bonds (distance) C4'-P energy: -1.379
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -5.271
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: 2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 219
Temperature: 2.350000
Total energy: -37.231654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.231654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.231654 (E_RNA)
where:
Base-Base interactions energy: -8.988
where: short stacking energy: -5.304
Base-Backbone interact. energy: 0.524
local terms energy: -28.766721
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: 0.710
flat angles P-C4'-P energy: -5.143
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: 2, replica: 1
=====================================
Write number: 219
Temperature: 2.366667
Total energy: -46.454610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.454610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.454610 (E_RNA)
where:
Base-Base interactions energy: -6.927
where: short stacking energy: -6.398
Base-Backbone interact. energy: 0.860
local terms energy: -40.387172
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -7.634
flat angles P-C4'-P energy: -7.147
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: 3, replica: 10
=====================================
Write number: 219
Temperature: 2.383333
Total energy: -39.278421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.278421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.278421 (E_RNA)
where:
Base-Base interactions energy: -4.055
where: short stacking energy: -4.055
Base-Backbone interact. energy: -0.186
local terms energy: -35.037052
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: 3.919
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: 4, replica: 7
=====================================
Write number: 219
Temperature: 2.400000
Total energy: -35.827130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.827130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.827130 (E_RNA)
where:
Base-Base interactions energy: -10.121
where: short stacking energy: -10.121
Base-Backbone interact. energy: -0.513
local terms energy: -25.193117
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -7.385
flat angles P-C4'-P energy: -5.111
tors. eta vs tors. theta energy: 7.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 2.416667
Total energy: -40.868100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.868100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.868100 (E_RNA)
where:
Base-Base interactions energy: -3.475
where: short stacking energy: -3.475
Base-Backbone interact. energy: 0.924
local terms energy: -38.317138
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -7.958
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -6.625
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: 6, replica: 9
=====================================
Write number: 219
Temperature: 2.433333
Total energy: -42.070865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.070865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.070865 (E_RNA)
where:
Base-Base interactions energy: -11.128
where: short stacking energy: -8.101
Base-Backbone interact. energy: 0.133
local terms energy: -31.076063
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -1.513
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: 4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 219
Temperature: 2.450000
Total energy: -38.941188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.941188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.941188 (E_RNA)
where:
Base-Base interactions energy: -8.551
where: short stacking energy: -8.551
Base-Backbone interact. energy: 0.858
local terms energy: -31.248209
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -7.234
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -9.836
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: 8, replica: 6
=====================================
Write number: 219
Temperature: 2.466667
Total energy: -40.290140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.290140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.290140 (E_RNA)
where:
Base-Base interactions energy: -4.925
where: short stacking energy: -4.925
Base-Backbone interact. energy: -0.595
local terms energy: -34.769959
where:
bonds (distance) C4'-P energy: -6.543
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: 4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 219
Temperature: 2.483333
Total energy: -37.952306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.952306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.952306 (E_RNA)
where:
Base-Base interactions energy: -6.630
where: short stacking energy: -2.943
Base-Backbone interact. energy: -1.219
local terms energy: -30.102828
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -4.916
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: 9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 219
Temperature: 2.500000
Total energy: -35.922459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.922459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.922459 (E_RNA)
where:
Base-Base interactions energy: -6.154
where: short stacking energy: -4.106
Base-Backbone interact. energy: -0.146
local terms energy: -29.621688
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -2.972
tors. eta vs tors. theta energy: 10.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 2.350000
Total energy: -38.544310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.544310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.544310 (E_RNA)
where:
Base-Base interactions energy: -14.575
where: short stacking energy: -13.616
Base-Backbone interact. energy: 1.146
local terms energy: -25.115966
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -1.916
flat angles P-C4'-P energy: -6.053
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: 2, replica: 8
=====================================
Write number: 220
Temperature: 2.366667
Total energy: -36.150134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.150134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.150134 (E_RNA)
where:
Base-Base interactions energy: -3.722
where: short stacking energy: -3.722
Base-Backbone interact. energy: 2.546
local terms energy: -34.973203
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -4.055
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: 8.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 220
Temperature: 2.383333
Total energy: -39.303247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.303247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.303247 (E_RNA)
where:
Base-Base interactions energy: -1.311
where: short stacking energy: -0.788
Base-Backbone interact. energy: 1.676
local terms energy: -39.668375
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -4.485
tors. eta vs tors. theta energy: 6.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 220
Temperature: 2.400000
Total energy: -37.073285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.073285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.073285 (E_RNA)
where:
Base-Base interactions energy: -8.647
where: short stacking energy: -5.468
Base-Backbone interact. energy: -0.219
local terms energy: -28.207864
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -1.412
flat angles P-C4'-P energy: -2.357
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: 5, replica: 9
=====================================
Write number: 220
Temperature: 2.416667
Total energy: -41.488034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.488034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.488034 (E_RNA)
where:
Base-Base interactions energy: -10.473
where: short stacking energy: -9.338
Base-Backbone interact. energy: -0.427
local terms energy: -30.588066
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -8.594
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -5.138
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: 6, replica: 4
=====================================
Write number: 220
Temperature: 2.433333
Total energy: -35.125851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.125851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.125851 (E_RNA)
where:
Base-Base interactions energy: -7.545
where: short stacking energy: -4.727
Base-Backbone interact. energy: 0.018
local terms energy: -27.598392
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -2.561
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: 4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 220
Temperature: 2.450000
Total energy: -38.621835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.621835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.621835 (E_RNA)
where:
Base-Base interactions energy: -4.599
where: short stacking energy: -1.318
Base-Backbone interact. energy: -0.268
local terms energy: -33.754404
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -6.776
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: 8.168
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: 5
=====================================
Write number: 220
Temperature: 2.466667
Total energy: -34.694021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.694021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.694021 (E_RNA)
where:
Base-Base interactions energy: -5.073
where: short stacking energy: -3.449
Base-Backbone interact. energy: -0.214
local terms energy: -29.407582
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -4.269
flat angles P-C4'-P energy: 0.726
tors. eta vs tors. theta energy: 8.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 220
Temperature: 2.483333
Total energy: -37.426007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.426007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.426007 (E_RNA)
where:
Base-Base interactions energy: -13.471
where: short stacking energy: -13.471
Base-Backbone interact. energy: -0.111
local terms energy: -23.844148
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -5.019
flat angles P-C4'-P energy: -1.053
tors. eta vs tors. theta energy: 2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 220
Temperature: 2.500000
Total energy: -39.602009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.602009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.602009 (E_RNA)
where:
Base-Base interactions energy: -3.565
where: short stacking energy: -3.412
Base-Backbone interact. energy: -1.073
local terms energy: -34.964321
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -9.243
flat angles P-C4'-P energy: -3.217
tors. eta vs tors. theta energy: 8.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 2.350000
Total energy: -40.586401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.586401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.586401 (E_RNA)
where:
Base-Base interactions energy: -8.454
where: short stacking energy: -8.454
Base-Backbone interact. energy: 1.638
local terms energy: -33.769848
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -6.169
flat angles P-C4'-P energy: -4.957
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: 2, replica: 7
=====================================
Write number: 221
Temperature: 2.366667
Total energy: -42.324807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.324807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.324807 (E_RNA)
where:
Base-Base interactions energy: -10.881
where: short stacking energy: -10.644
Base-Backbone interact. energy: -0.230
local terms energy: -31.213849
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -11.910
flat angles C4'-P-C4' energy: -6.690
flat angles P-C4'-P energy: -1.670
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: 3, replica: 8
=====================================
Write number: 221
Temperature: 2.383333
Total energy: -35.759161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.759161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.759161 (E_RNA)
where:
Base-Base interactions energy: -2.858
where: short stacking energy: -2.736
Base-Backbone interact. energy: 0.918
local terms energy: -33.819262
where:
bonds (distance) C4'-P energy: -4.627
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -6.853
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: 4, replica: 9
=====================================
Write number: 221
Temperature: 2.400000
Total energy: -38.329059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.329059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.329059 (E_RNA)
where:
Base-Base interactions energy: -7.678
where: short stacking energy: -7.678
Base-Backbone interact. energy: -0.367
local terms energy: -30.284682
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -11.392
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: 2.153
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: 5, replica: 10
=====================================
Write number: 221
Temperature: 2.416667
Total energy: -47.801965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.801965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.801965 (E_RNA)
where:
Base-Base interactions energy: -13.852
where: short stacking energy: -12.292
Base-Backbone interact. energy: 0.751
local terms energy: -34.700611
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -8.993
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: 7.469
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: 6
=====================================
Write number: 221
Temperature: 2.433333
Total energy: -36.546160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.546160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.546160 (E_RNA)
where:
Base-Base interactions energy: -11.321
where: short stacking energy: -5.602
Base-Backbone interact. energy: -1.350
local terms energy: -23.874653
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -8.441
flat angles C4'-P-C4' energy: -0.670
flat angles P-C4'-P energy: -5.634
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: 7, replica: 4
=====================================
Write number: 221
Temperature: 2.450000
Total energy: -36.404474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.404474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.404474 (E_RNA)
where:
Base-Base interactions energy: -12.181
where: short stacking energy: -10.705
Base-Backbone interact. energy: -1.051
local terms energy: -23.171910
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: 0.789
flat angles P-C4'-P energy: -0.635
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: 8, replica: 2
=====================================
Write number: 221
Temperature: 2.466667
Total energy: -41.006813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.006813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.006813 (E_RNA)
where:
Base-Base interactions energy: -7.666
where: short stacking energy: -7.666
Base-Backbone interact. energy: -0.211
local terms energy: -33.129723
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -6.650
flat angles P-C4'-P energy: -10.656
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: 5
=====================================
Write number: 221
Temperature: 2.483333
Total energy: -41.593639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.593639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.593639 (E_RNA)
where:
Base-Base interactions energy: -9.552
where: short stacking energy: -8.414
Base-Backbone interact. energy: -0.608
local terms energy: -31.432939
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -3.768
flat angles P-C4'-P energy: -1.332
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: 10, replica: 3
=====================================
Write number: 221
Temperature: 2.500000
Total energy: -36.342265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.342265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.342265 (E_RNA)
where:
Base-Base interactions energy: -11.326
where: short stacking energy: -7.476
Base-Backbone interact. energy: -0.739
local terms energy: -24.276354
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: 6.410
tors. eta vs tors. theta energy: 9.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 2.350000
Total energy: -42.891676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.891676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.891676 (E_RNA)
where:
Base-Base interactions energy: -9.374
where: short stacking energy: -5.873
Base-Backbone interact. energy: -0.458
local terms energy: -33.059713
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -8.623
flat angles P-C4'-P energy: -3.651
tors. eta vs tors. theta energy: 10.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 2.366667
Total energy: -36.094701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.094701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.094701 (E_RNA)
where:
Base-Base interactions energy: -1.264
where: short stacking energy: -0.015
Base-Backbone interact. energy: 0.492
local terms energy: -35.322926
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -3.196
tors. eta vs tors. theta energy: 8.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 222
Temperature: 2.383333
Total energy: -37.013651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.013651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.013651 (E_RNA)
where:
Base-Base interactions energy: -9.969
where: short stacking energy: -7.957
Base-Backbone interact. energy: 0.927
local terms energy: -27.971740
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -4.926
flat angles P-C4'-P energy: -1.384
tors. eta vs tors. theta energy: 9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 222
Temperature: 2.400000
Total energy: -43.888784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.888784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.888784 (E_RNA)
where:
Base-Base interactions energy: -7.187
where: short stacking energy: -5.820
Base-Backbone interact. energy: -0.544
local terms energy: -36.158067
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -7.343
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: 7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 2.416667
Total energy: -36.635815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.635815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.635815 (E_RNA)
where:
Base-Base interactions energy: -6.692
where: short stacking energy: -6.692
Base-Backbone interact. energy: -0.186
local terms energy: -29.758610
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -7.455
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: 8.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 222
Temperature: 2.433333
Total energy: -35.317644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.317644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.317644 (E_RNA)
where:
Base-Base interactions energy: -7.557
where: short stacking energy: -7.557
Base-Backbone interact. energy: 1.000
local terms energy: -28.760291
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -10.702
flat angles C4'-P-C4' energy: -7.129
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: 4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 222
Temperature: 2.450000
Total energy: -45.618606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.618606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.618606 (E_RNA)
where:
Base-Base interactions energy: -6.843
where: short stacking energy: -6.843
Base-Backbone interact. energy: -0.197
local terms energy: -38.578914
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: 9.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 222
Temperature: 2.466667
Total energy: -34.139886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.139886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.139886 (E_RNA)
where:
Base-Base interactions energy: -7.396
where: short stacking energy: -7.389
Base-Backbone interact. energy: 2.167
local terms energy: -28.910879
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -6.690
flat angles P-C4'-P energy: 1.453
tors. eta vs tors. theta energy: 7.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 222
Temperature: 2.483333
Total energy: -43.487694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.487694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.487694 (E_RNA)
where:
Base-Base interactions energy: -9.047
where: short stacking energy: -8.824
Base-Backbone interact. energy: -0.382
local terms energy: -34.059299
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -7.822
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: 5.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 2.500000
Total energy: -35.218172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.218172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.218172 (E_RNA)
where:
Base-Base interactions energy: -5.840
where: short stacking energy: -5.840
Base-Backbone interact. energy: -0.320
local terms energy: -29.058167
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -2.080
flat angles P-C4'-P energy: -4.715
tors. eta vs tors. theta energy: 5.035
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: 7
=====================================
Write number: 223
Temperature: 2.350000
Total energy: -39.468375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.468375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.468375 (E_RNA)
where:
Base-Base interactions energy: -0.983
where: short stacking energy: 1.200
Base-Backbone interact. energy: -0.610
local terms energy: -37.874826
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -4.824
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: 10.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 223
Temperature: 2.366667
Total energy: -42.868873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.868873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.868873 (E_RNA)
where:
Base-Base interactions energy: -7.087
where: short stacking energy: -6.019
Base-Backbone interact. energy: -0.718
local terms energy: -35.064252
where:
bonds (distance) C4'-P energy: -4.181
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: 7.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 223
Temperature: 2.383333
Total energy: -42.551178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.551178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.551178 (E_RNA)
where:
Base-Base interactions energy: -5.089
where: short stacking energy: -4.135
Base-Backbone interact. energy: 0.164
local terms energy: -37.626250
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -10.325
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: 5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 223
Temperature: 2.400000
Total energy: -37.007303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.007303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.007303 (E_RNA)
where:
Base-Base interactions energy: -10.112
where: short stacking energy: -8.359
Base-Backbone interact. energy: -0.418
local terms energy: -26.477464
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -4.728
flat angles P-C4'-P energy: 0.515
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: 5, replica: 8
=====================================
Write number: 223
Temperature: 2.416667
Total energy: -36.134354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.134354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.134354 (E_RNA)
where:
Base-Base interactions energy: -3.774
where: short stacking energy: -3.704
Base-Backbone interact. energy: -0.210
local terms energy: -32.149874
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: 0.903
tors. eta vs tors. theta energy: 9.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 223
Temperature: 2.433333
Total energy: -49.616519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.616519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.616519 (E_RNA)
where:
Base-Base interactions energy: -12.892
where: short stacking energy: -8.330
Base-Backbone interact. energy: 4.056
local terms energy: -40.779902
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -8.677
flat angles P-C4'-P energy: -6.344
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: 7, replica: 10
=====================================
Write number: 223
Temperature: 2.450000
Total energy: -55.746636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.746636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.746636 (E_RNA)
where:
Base-Base interactions energy: -20.915
where: short stacking energy: -17.924
Base-Backbone interact. energy: -0.202
local terms energy: -34.629552
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -8.179
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -1.330
tors. eta vs tors. theta energy: -2.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 223
Temperature: 2.466667
Total energy: -35.144437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.144437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.144437 (E_RNA)
where:
Base-Base interactions energy: -9.997
where: short stacking energy: -6.778
Base-Backbone interact. energy: -0.071
local terms energy: -25.076160
where:
bonds (distance) C4'-P energy: -8.241
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -3.789
flat angles P-C4'-P energy: -7.772
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: 9, replica: 4
=====================================
Write number: 223
Temperature: 2.483333
Total energy: -35.653150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.653150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.653150 (E_RNA)
where:
Base-Base interactions energy: -4.732
where: short stacking energy: -0.530
Base-Backbone interact. energy: -1.041
local terms energy: -29.880275
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -9.878
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -1.463
tors. eta vs tors. theta energy: 11.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 2.500000
Total energy: -36.375496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.375496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.375496 (E_RNA)
where:
Base-Base interactions energy: -7.538
where: short stacking energy: -7.538
Base-Backbone interact. energy: 0.158
local terms energy: -28.995761
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: 12.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 224
Temperature: 2.350000
Total energy: -47.133869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.133869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.133869 (E_RNA)
where:
Base-Base interactions energy: -11.609
where: short stacking energy: -5.342
Base-Backbone interact. energy: -0.326
local terms energy: -35.198602
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -5.363
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: 9
=====================================
Write number: 224
Temperature: 2.366667
Total energy: -38.872577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.872577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.872577 (E_RNA)
where:
Base-Base interactions energy: -7.162
where: short stacking energy: -2.445
Base-Backbone interact. energy: -0.664
local terms energy: -31.046786
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -9.740
flat angles C4'-P-C4' energy: -7.305
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: 7.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 224
Temperature: 2.383333
Total energy: -38.726641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.726641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.726641 (E_RNA)
where:
Base-Base interactions energy: -5.897
where: short stacking energy: -5.276
Base-Backbone interact. energy: 0.537
local terms energy: -33.366534
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -4.985
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: 7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 224
Temperature: 2.400000
Total energy: -37.784967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.784967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.784967 (E_RNA)
where:
Base-Base interactions energy: -5.054
where: short stacking energy: -4.171
Base-Backbone interact. energy: -0.137
local terms energy: -32.594091
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: 9.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 224
Temperature: 2.416667
Total energy: -35.572822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.572822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.572822 (E_RNA)
where:
Base-Base interactions energy: -0.421
where: short stacking energy: -0.421
Base-Backbone interact. energy: -0.273
local terms energy: -34.878524
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -8.418
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: 9.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 224
Temperature: 2.433333
Total energy: -38.471682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.471682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.471682 (E_RNA)
where:
Base-Base interactions energy: -4.160
where: short stacking energy: -3.222
Base-Backbone interact. energy: -0.280
local terms energy: -34.032005
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -6.386
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: 10.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 224
Temperature: 2.450000
Total energy: -33.093984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.093984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.093984 (E_RNA)
where:
Base-Base interactions energy: -8.030
where: short stacking energy: -6.690
Base-Backbone interact. energy: -0.777
local terms energy: -24.287190
where:
bonds (distance) C4'-P energy: -4.655
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -4.745
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: 8, replica: 10
=====================================
Write number: 224
Temperature: 2.466667
Total energy: -35.595229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.595229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.595229 (E_RNA)
where:
Base-Base interactions energy: -6.716
where: short stacking energy: -4.281
Base-Backbone interact. energy: -1.145
local terms energy: -27.734233
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -6.773
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: 8.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 224
Temperature: 2.483333
Total energy: -32.977424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.977424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.977424 (E_RNA)
where:
Base-Base interactions energy: -8.081
where: short stacking energy: -8.081
Base-Backbone interact. energy: -0.139
local terms energy: -24.757325
where:
bonds (distance) C4'-P energy: -9.058
bonds (distance) P-C4' energy: -10.907
flat angles C4'-P-C4' energy: -9.274
flat angles P-C4'-P energy: -4.147
tors. eta vs tors. theta energy: 8.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 224
Temperature: 2.500000
Total energy: -35.034435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.034435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.034435 (E_RNA)
where:
Base-Base interactions energy: -8.359
where: short stacking energy: -6.260
Base-Backbone interact. energy: 1.369
local terms energy: -28.044364
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -6.043
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: 11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 225
Temperature: 2.350000
Total energy: -40.289744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.289744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.289744 (E_RNA)
where:
Base-Base interactions energy: -14.476
where: short stacking energy: -14.311
Base-Backbone interact. energy: 1.501
local terms energy: -27.315069
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -3.834
flat angles C4'-P-C4' energy: -7.424
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: 0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 225
Temperature: 2.366667
Total energy: -36.275956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.275956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.275956 (E_RNA)
where:
Base-Base interactions energy: -12.090
where: short stacking energy: -8.026
Base-Backbone interact. energy: -0.897
local terms energy: -23.289664
where:
bonds (distance) C4'-P energy: -2.119
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: 12.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 2.383333
Total energy: -36.921110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.921110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.921110 (E_RNA)
where:
Base-Base interactions energy: -2.006
where: short stacking energy: -2.006
Base-Backbone interact. energy: -0.179
local terms energy: -34.736405
where:
bonds (distance) C4'-P energy: -7.746
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: 8.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 2.400000
Total energy: -40.761253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.761253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.761253 (E_RNA)
where:
Base-Base interactions energy: -9.016
where: short stacking energy: -8.412
Base-Backbone interact. energy: -0.241
local terms energy: -31.504117
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -2.217
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: 8.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 225
Temperature: 2.416667
Total energy: -44.128893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.128893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.128893 (E_RNA)
where:
Base-Base interactions energy: -8.152
where: short stacking energy: -7.250
Base-Backbone interact. energy: -0.168
local terms energy: -35.808790
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -6.518
flat angles P-C4'-P energy: -6.995
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: 6, replica: 3
=====================================
Write number: 225
Temperature: 2.433333
Total energy: -35.034030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.034030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.034030 (E_RNA)
where:
Base-Base interactions energy: -4.073
where: short stacking energy: -2.842
Base-Backbone interact. energy: 1.407
local terms energy: -32.368039
where:
bonds (distance) C4'-P energy: -6.957
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -7.325
flat angles P-C4'-P energy: -10.172
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: 7, replica: 8
=====================================
Write number: 225
Temperature: 2.450000
Total energy: -34.310312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.310312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.310312 (E_RNA)
where:
Base-Base interactions energy: -2.330
where: short stacking energy: -0.742
Base-Backbone interact. energy: -0.229
local terms energy: -31.751949
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: 10.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 225
Temperature: 2.466667
Total energy: -35.389937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.389937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.389937 (E_RNA)
where:
Base-Base interactions energy: -8.525
where: short stacking energy: -8.065
Base-Backbone interact. energy: -0.041
local terms energy: -26.824222
where:
bonds (distance) C4'-P energy: -5.613
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -8.144
flat angles P-C4'-P energy: -6.846
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: 9, replica: 10
=====================================
Write number: 225
Temperature: 2.483333
Total energy: -35.704819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.704819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.704819 (E_RNA)
where:
Base-Base interactions energy: -6.786
where: short stacking energy: -5.948
Base-Backbone interact. energy: -0.041
local terms energy: -28.877592
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -8.558
flat angles C4'-P-C4' energy: -8.376
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: 10.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 225
Temperature: 2.500000
Total energy: -39.487679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.487679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.487679 (E_RNA)
where:
Base-Base interactions energy: -9.281
where: short stacking energy: -9.281
Base-Backbone interact. energy: -0.093
local terms energy: -30.113455
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: 5.171
tors. eta vs tors. theta energy: 4.870
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: 1, replica: 6
=====================================
Write number: 226
Temperature: 2.350000
Total energy: -39.789687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.789687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.789687 (E_RNA)
where:
Base-Base interactions energy: -12.171
where: short stacking energy: -9.361
Base-Backbone interact. energy: 0.124
local terms energy: -27.742518
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -6.357
flat angles P-C4'-P energy: -4.700
tors. eta vs tors. theta energy: 8.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 226
Temperature: 2.366667
Total energy: -45.327217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.327217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.327217 (E_RNA)
where:
Base-Base interactions energy: -11.320
where: short stacking energy: -4.224
Base-Backbone interact. energy: -0.386
local terms energy: -33.620820
where:
bonds (distance) C4'-P energy: -7.866
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -8.151
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: 8.363
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: 2
=====================================
Write number: 226
Temperature: 2.383333
Total energy: -36.874120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.874120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.874120 (E_RNA)
where:
Base-Base interactions energy: -1.555
where: short stacking energy: -1.555
Base-Backbone interact. energy: -0.129
local terms energy: -35.189870
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -8.848
flat angles P-C4'-P energy: 0.303
tors. eta vs tors. theta energy: 3.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 226
Temperature: 2.400000
Total energy: -36.196894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.196894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.196894 (E_RNA)
where:
Base-Base interactions energy: -4.712
where: short stacking energy: -2.574
Base-Backbone interact. energy: 2.068
local terms energy: -33.553745
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -8.520
flat angles P-C4'-P energy: -3.218
tors. eta vs tors. theta energy: 9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 2.416667
Total energy: -42.301405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.301405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.301405 (E_RNA)
where:
Base-Base interactions energy: -10.885
where: short stacking energy: -9.811
Base-Backbone interact. energy: -0.182
local terms energy: -31.234438
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -5.416
flat angles P-C4'-P energy: -1.587
tors. eta vs tors. theta energy: 3.014
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: 6, replica: 1
=====================================
Write number: 226
Temperature: 2.433333
Total energy: -31.415842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.415842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.415842 (E_RNA)
where:
Base-Base interactions energy: -4.171
where: short stacking energy: -2.250
Base-Backbone interact. energy: 2.374
local terms energy: -29.618682
where:
bonds (distance) C4'-P energy: -8.706
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -2.894
flat angles P-C4'-P energy: -3.056
tors. eta vs tors. theta energy: 2.814
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: 7, replica: 5
=====================================
Write number: 226
Temperature: 2.450000
Total energy: -39.561017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.561017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.561017 (E_RNA)
where:
Base-Base interactions energy: -14.122
where: short stacking energy: -10.620
Base-Backbone interact. energy: -0.363
local terms energy: -25.075991
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -4.461
flat angles P-C4'-P energy: -2.634
tors. eta vs tors. theta energy: 10.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 2.466667
Total energy: -35.051635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.051635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.051635 (E_RNA)
where:
Base-Base interactions energy: -8.122
where: short stacking energy: -7.396
Base-Backbone interact. energy: 0.286
local terms energy: -27.216225
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -4.578
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -3.747
tors. eta vs tors. theta energy: 8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 226
Temperature: 2.483333
Total energy: -34.637655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.637655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.637655 (E_RNA)
where:
Base-Base interactions energy: -6.584
where: short stacking energy: -5.060
Base-Backbone interact. energy: -0.486
local terms energy: -27.566964
where:
bonds (distance) C4'-P energy: -7.840
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -2.300
tors. eta vs tors. theta energy: 10.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 2.500000
Total energy: -35.859292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.859292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.859292 (E_RNA)
where:
Base-Base interactions energy: -5.185
where: short stacking energy: -4.381
Base-Backbone interact. energy: 2.564
local terms energy: -33.238540
where:
bonds (distance) C4'-P energy: -6.865
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -6.313
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: 1, replica: 6
=====================================
Write number: 227
Temperature: 2.350000
Total energy: -36.088806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.088806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.088806 (E_RNA)
where:
Base-Base interactions energy: -5.594
where: short stacking energy: -4.926
Base-Backbone interact. energy: 0.797
local terms energy: -31.291383
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: 9.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 2.366667
Total energy: -43.431699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.431699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.431699 (E_RNA)
where:
Base-Base interactions energy: -9.650
where: short stacking energy: -8.689
Base-Backbone interact. energy: -0.092
local terms energy: -33.690451
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -5.986
flat angles P-C4'-P energy: -4.373
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: 3, replica: 7
=====================================
Write number: 227
Temperature: 2.383333
Total energy: -39.614554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.614554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.614554 (E_RNA)
where:
Base-Base interactions energy: -2.287
where: short stacking energy: -1.907
Base-Backbone interact. energy: -0.202
local terms energy: -37.125791
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -8.877
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: 5.798
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: 3
=====================================
Write number: 227
Temperature: 2.400000
Total energy: -39.923178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.923178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.923178 (E_RNA)
where:
Base-Base interactions energy: -9.001
where: short stacking energy: -7.916
Base-Backbone interact. energy: -0.237
local terms energy: -30.685964
where:
bonds (distance) C4'-P energy: -8.825
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: 9.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 227
Temperature: 2.416667
Total energy: -44.782673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.782673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.782673 (E_RNA)
where:
Base-Base interactions energy: -10.789
where: short stacking energy: -5.597
Base-Backbone interact. energy: 2.059
local terms energy: -36.052737
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: 11.173
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: 5
=====================================
Write number: 227
Temperature: 2.433333
Total energy: -36.788714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.788714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.788714 (E_RNA)
where:
Base-Base interactions energy: -2.024
where: short stacking energy: -2.024
Base-Backbone interact. energy: -0.075
local terms energy: -34.689715
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -8.367
flat angles P-C4'-P energy: -2.255
tors. eta vs tors. theta energy: 1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 227
Temperature: 2.450000
Total energy: -37.702285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.702285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.702285 (E_RNA)
where:
Base-Base interactions energy: -8.732
where: short stacking energy: -6.975
Base-Backbone interact. energy: -0.229
local terms energy: -28.741138
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -6.982
flat angles P-C4'-P energy: -1.003
tors. eta vs tors. theta energy: 6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 2.466667
Total energy: -41.116141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.116141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.116141 (E_RNA)
where:
Base-Base interactions energy: -7.841
where: short stacking energy: -6.573
Base-Backbone interact. energy: 2.054
local terms energy: -35.328797
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: 9.969
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: 9, replica: 8
=====================================
Write number: 227
Temperature: 2.483333
Total energy: -33.441426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.441426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.441426 (E_RNA)
where:
Base-Base interactions energy: -6.311
where: short stacking energy: -6.311
Base-Backbone interact. energy: -0.084
local terms energy: -27.047127
where:
bonds (distance) C4'-P energy: -7.135
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -9.658
flat angles P-C4'-P energy: -1.727
tors. eta vs tors. theta energy: 7.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 2.500000
Total energy: -42.198411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.198411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.198411 (E_RNA)
where:
Base-Base interactions energy: -6.014
where: short stacking energy: -6.014
Base-Backbone interact. energy: -0.366
local terms energy: -35.818341
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -9.357
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: 10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 2.350000
Total energy: -36.325770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.325770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.325770 (E_RNA)
where:
Base-Base interactions energy: -3.583
where: short stacking energy: -3.066
Base-Backbone interact. energy: -0.261
local terms energy: -32.481905
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: 9.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 228
Temperature: 2.366667
Total energy: -41.188951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.188951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.188951 (E_RNA)
where:
Base-Base interactions energy: -9.207
where: short stacking energy: -8.529
Base-Backbone interact. energy: 0.850
local terms energy: -32.831999
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -5.144
tors. eta vs tors. theta energy: 8.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 2.383333
Total energy: -41.526000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.526000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.526000 (E_RNA)
where:
Base-Base interactions energy: -7.815
where: short stacking energy: -6.643
Base-Backbone interact. energy: 2.583
local terms energy: -36.294482
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -4.265
flat angles P-C4'-P energy: -9.690
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: 4, replica: 7
=====================================
Write number: 228
Temperature: 2.400000
Total energy: -34.262990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.262990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.262990 (E_RNA)
where:
Base-Base interactions energy: -9.155
where: short stacking energy: -8.577
Base-Backbone interact. energy: 0.032
local terms energy: -25.140289
where:
bonds (distance) C4'-P energy: -5.599
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -6.043
flat angles P-C4'-P energy: -1.538
tors. eta vs tors. theta energy: 1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 228
Temperature: 2.416667
Total energy: -36.084436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.084436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.084436 (E_RNA)
where:
Base-Base interactions energy: -13.796
where: short stacking energy: -13.796
Base-Backbone interact. energy: 2.410
local terms energy: -24.698202
where:
bonds (distance) C4'-P energy: -5.527
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -6.492
flat angles P-C4'-P energy: -4.308
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: 6, replica: 9
=====================================
Write number: 228
Temperature: 2.433333
Total energy: -36.834086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.834086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.834086 (E_RNA)
where:
Base-Base interactions energy: -11.963
where: short stacking energy: -10.944
Base-Backbone interact. energy: -0.243
local terms energy: -24.627887
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -0.068
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: 3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 228
Temperature: 2.450000
Total energy: -35.581183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.581183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.581183 (E_RNA)
where:
Base-Base interactions energy: -5.081
where: short stacking energy: -4.533
Base-Backbone interact. energy: -0.769
local terms energy: -29.731709
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -6.047
flat angles P-C4'-P energy: -4.992
tors. eta vs tors. theta energy: 9.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 228
Temperature: 2.466667
Total energy: -37.514731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.514731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.514731 (E_RNA)
where:
Base-Base interactions energy: -7.132
where: short stacking energy: -7.132
Base-Backbone interact. energy: 0.513
local terms energy: -30.895489
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: 1.981
tors. eta vs tors. theta energy: 7.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 2.483333
Total energy: -40.315556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.315556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.315556 (E_RNA)
where:
Base-Base interactions energy: -7.538
where: short stacking energy: -7.505
Base-Backbone interact. energy: -0.189
local terms energy: -32.589140
where:
bonds (distance) C4'-P energy: -9.661
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -3.144
tors. eta vs tors. theta energy: 2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 2.500000
Total energy: -37.098520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.098520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.098520 (E_RNA)
where:
Base-Base interactions energy: -10.471
where: short stacking energy: -9.721
Base-Backbone interact. energy: -0.144
local terms energy: -26.483864
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -4.345
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: 5.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 229
Temperature: 2.350000
Total energy: -45.496116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.496116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.496116 (E_RNA)
where:
Base-Base interactions energy: -13.382
where: short stacking energy: -12.690
Base-Backbone interact. energy: -0.457
local terms energy: -31.657687
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -4.577
tors. eta vs tors. theta energy: 8.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 229
Temperature: 2.366667
Total energy: -47.769694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.769694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.769694 (E_RNA)
where:
Base-Base interactions energy: -13.792
where: short stacking energy: -13.028
Base-Backbone interact. energy: -0.155
local terms energy: -33.822061
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -6.943
flat angles P-C4'-P energy: -1.191
tors. eta vs tors. theta energy: 1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 229
Temperature: 2.383333
Total energy: -38.170668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.170668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.170668 (E_RNA)
where:
Base-Base interactions energy: -6.174
where: short stacking energy: -5.258
Base-Backbone interact. energy: -0.123
local terms energy: -31.873400
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -5.508
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: 4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 2.400000
Total energy: -35.260077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.260077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.260077 (E_RNA)
where:
Base-Base interactions energy: -5.627
where: short stacking energy: -5.627
Base-Backbone interact. energy: -0.372
local terms energy: -29.261550
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -9.555
flat angles C4'-P-C4' energy: -6.622
flat angles P-C4'-P energy: -9.254
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: 5, replica: 7
=====================================
Write number: 229
Temperature: 2.416667
Total energy: -36.176861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.176861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.176861 (E_RNA)
where:
Base-Base interactions energy: -7.364
where: short stacking energy: -7.023
Base-Backbone interact. energy: -0.612
local terms energy: -28.201037
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -8.922
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -2.243
tors. eta vs tors. theta energy: 5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 229
Temperature: 2.433333
Total energy: -33.766382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.766382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.766382 (E_RNA)
where:
Base-Base interactions energy: -3.138
where: short stacking energy: -2.183
Base-Backbone interact. energy: 1.931
local terms energy: -32.559378
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -6.393
flat angles C4'-P-C4' energy: -10.521
flat angles P-C4'-P energy: -4.716
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: 7, replica: 9
=====================================
Write number: 229
Temperature: 2.450000
Total energy: -35.864529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.864529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.864529 (E_RNA)
where:
Base-Base interactions energy: -5.760
where: short stacking energy: -3.837
Base-Backbone interact. energy: -0.408
local terms energy: -29.696789
where:
bonds (distance) C4'-P energy: -7.333
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -8.073
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: 7.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 229
Temperature: 2.466667
Total energy: -35.207580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.207580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.207580 (E_RNA)
where:
Base-Base interactions energy: -5.346
where: short stacking energy: -0.606
Base-Backbone interact. energy: 1.835
local terms energy: -31.696123
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -8.424
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -0.555
tors. eta vs tors. theta energy: 4.313
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: 1
=====================================
Write number: 229
Temperature: 2.483333
Total energy: -37.257122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.257122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.257122 (E_RNA)
where:
Base-Base interactions energy: -6.327
where: short stacking energy: -5.074
Base-Backbone interact. energy: -0.400
local terms energy: -30.529812
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -7.829
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -6.464
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: 10, replica: 8
=====================================
Write number: 229
Temperature: 2.500000
Total energy: -37.133532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.133532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.133532 (E_RNA)
where:
Base-Base interactions energy: -4.664
where: short stacking energy: -4.759
Base-Backbone interact. energy: -0.407
local terms energy: -32.062199
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -2.901
tors. eta vs tors. theta energy: 10.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 2.350000
Total energy: -40.087596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.087596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.087596 (E_RNA)
where:
Base-Base interactions energy: -6.345
where: short stacking energy: -5.286
Base-Backbone interact. energy: -0.056
local terms energy: -33.685668
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -1.845
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: 2, replica: 2
=====================================
Write number: 230
Temperature: 2.366667
Total energy: -44.247499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.247499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.247499 (E_RNA)
where:
Base-Base interactions energy: -12.942
where: short stacking energy: -11.291
Base-Backbone interact. energy: 0.417
local terms energy: -31.723187
where:
bonds (distance) C4'-P energy: -6.559
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -7.214
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: 5
=====================================
Write number: 230
Temperature: 2.383333
Total energy: -37.813594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.813594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.813594 (E_RNA)
where:
Base-Base interactions energy: -3.516
where: short stacking energy: -3.516
Base-Backbone interact. energy: 0.022
local terms energy: -34.320073
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: 11.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 230
Temperature: 2.400000
Total energy: -39.468541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.468541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.468541 (E_RNA)
where:
Base-Base interactions energy: -12.889
where: short stacking energy: -12.889
Base-Backbone interact. energy: -0.235
local terms energy: -26.344359
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -9.399
flat angles C4'-P-C4' energy: -8.833
flat angles P-C4'-P energy: -2.443
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: 230
Temperature: 2.416667
Total energy: -36.325957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.325957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.325957 (E_RNA)
where:
Base-Base interactions energy: 1.507
where: short stacking energy: 2.650
Base-Backbone interact. energy: -0.081
local terms energy: -37.752457
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -4.462
tors. eta vs tors. theta energy: 6.281
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: 7
=====================================
Write number: 230
Temperature: 2.433333
Total energy: -37.977935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.977935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.977935 (E_RNA)
where:
Base-Base interactions energy: -1.517
where: short stacking energy: -1.301
Base-Backbone interact. energy: -0.244
local terms energy: -36.216630
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -10.691
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -1.912
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: 7, replica: 10
=====================================
Write number: 230
Temperature: 2.450000
Total energy: -38.132678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.132678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.132678 (E_RNA)
where:
Base-Base interactions energy: -16.374
where: short stacking energy: -15.643
Base-Backbone interact. energy: 1.605
local terms energy: -23.363596
where:
bonds (distance) C4'-P energy: -7.155
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -8.444
flat angles P-C4'-P energy: -2.467
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: 8, replica: 9
=====================================
Write number: 230
Temperature: 2.466667
Total energy: -40.032543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.032543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.032543 (E_RNA)
where:
Base-Base interactions energy: -13.437
where: short stacking energy: -11.607
Base-Backbone interact. energy: -0.178
local terms energy: -26.417225
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -6.584
flat angles P-C4'-P energy: -0.161
tors. eta vs tors. theta energy: 5.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 2.483333
Total energy: -35.428672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.428672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.428672 (E_RNA)
where:
Base-Base interactions energy: -1.147
where: short stacking energy: -4.047
Base-Backbone interact. energy: -0.365
local terms energy: -33.916877
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -2.941
tors. eta vs tors. theta energy: 5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 230
Temperature: 2.500000
Total energy: -34.906827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.906827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.906827 (E_RNA)
where:
Base-Base interactions energy: -6.167
where: short stacking energy: 0.359
Base-Backbone interact. energy: -0.781
local terms energy: -27.958376
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -4.530
flat angles P-C4'-P energy: -3.850
tors. eta vs tors. theta energy: 11.794
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: 3
=====================================
Write number: 231
Temperature: 2.350000
Total energy: -42.362508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.362508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.362508 (E_RNA)
where:
Base-Base interactions energy: -13.007
where: short stacking energy: -12.282
Base-Backbone interact. energy: -0.135
local terms energy: -29.220448
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -2.179
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: 5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 231
Temperature: 2.366667
Total energy: -39.856685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.856685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.856685 (E_RNA)
where:
Base-Base interactions energy: -3.257
where: short stacking energy: -1.112
Base-Backbone interact. energy: -0.283
local terms energy: -36.316978
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -5.660
flat angles P-C4'-P energy: -3.407
tors. eta vs tors. theta energy: 5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 231
Temperature: 2.383333
Total energy: -36.912772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.912772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.912772 (E_RNA)
where:
Base-Base interactions energy: -1.215
where: short stacking energy: -1.215
Base-Backbone interact. energy: 0.507
local terms energy: -36.204942
where:
bonds (distance) C4'-P energy: -6.001
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: 5.613
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: 4
=====================================
Write number: 231
Temperature: 2.400000
Total energy: -35.467583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.467583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.467583 (E_RNA)
where:
Base-Base interactions energy: -4.623
where: short stacking energy: -4.623
Base-Backbone interact. energy: -0.602
local terms energy: -30.243105
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: 8.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 231
Temperature: 2.416667
Total energy: -41.829964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.829964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.829964 (E_RNA)
where:
Base-Base interactions energy: -10.411
where: short stacking energy: -10.411
Base-Backbone interact. energy: 1.522
local terms energy: -32.941637
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -3.403
flat angles P-C4'-P energy: -9.649
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: 6, replica: 10
=====================================
Write number: 231
Temperature: 2.433333
Total energy: -36.294077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.294077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.294077 (E_RNA)
where:
Base-Base interactions energy: -1.649
where: short stacking energy: -2.250
Base-Backbone interact. energy: -0.489
local terms energy: -34.156233
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: 8.492
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: 7
=====================================
Write number: 231
Temperature: 2.450000
Total energy: -36.799740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.799740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.799740 (E_RNA)
where:
Base-Base interactions energy: -2.622
where: short stacking energy: -1.672
Base-Backbone interact. energy: 4.183
local terms energy: -38.360013
where:
bonds (distance) C4'-P energy: -9.463
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: 8.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 2.466667
Total energy: -31.215159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.215159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.215159 (E_RNA)
where:
Base-Base interactions energy: -8.325
where: short stacking energy: -6.614
Base-Backbone interact. energy: -0.527
local terms energy: -22.363012
where:
bonds (distance) C4'-P energy: -7.037
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -5.234
flat angles P-C4'-P energy: -0.300
tors. eta vs tors. theta energy: 5.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 231
Temperature: 2.483333
Total energy: -41.749531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.749531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.749531 (E_RNA)
where:
Base-Base interactions energy: -3.935
where: short stacking energy: -3.935
Base-Backbone interact. energy: 0.209
local terms energy: -38.024034
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: 8.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 231
Temperature: 2.500000
Total energy: -33.814223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.814223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.814223 (E_RNA)
where:
Base-Base interactions energy: -6.703
where: short stacking energy: -6.703
Base-Backbone interact. energy: 0.134
local terms energy: -27.245059
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: 0.070
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: 8.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 232
Temperature: 2.350000
Total energy: -42.168799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.168799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.168799 (E_RNA)
where:
Base-Base interactions energy: -7.610
where: short stacking energy: -6.292
Base-Backbone interact. energy: -0.259
local terms energy: -34.299671
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: 6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 232
Temperature: 2.366667
Total energy: -38.345578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.345578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.345578 (E_RNA)
where:
Base-Base interactions energy: -3.402
where: short stacking energy: -2.563
Base-Backbone interact. energy: -0.452
local terms energy: -34.491077
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -10.033
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: 10.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 232
Temperature: 2.383333
Total energy: -40.490009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.490009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.490009 (E_RNA)
where:
Base-Base interactions energy: -15.450
where: short stacking energy: -13.227
Base-Backbone interact. energy: 0.172
local terms energy: -25.211638
where:
bonds (distance) C4'-P energy: -7.660
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: 1.496
tors. eta vs tors. theta energy: 3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 2.400000
Total energy: -44.549045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.549045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.549045 (E_RNA)
where:
Base-Base interactions energy: -4.403
where: short stacking energy: -5.903
Base-Backbone interact. energy: -0.501
local terms energy: -39.644936
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: 6.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 2.416667
Total energy: -39.339975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.339975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.339975 (E_RNA)
where:
Base-Base interactions energy: -7.132
where: short stacking energy: -8.353
Base-Backbone interact. energy: -0.258
local terms energy: -31.950639
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -10.254
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: 11.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 232
Temperature: 2.433333
Total energy: -42.511348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.511348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.511348 (E_RNA)
where:
Base-Base interactions energy: -10.104
where: short stacking energy: -7.093
Base-Backbone interact. energy: -0.233
local terms energy: -32.174207
where:
bonds (distance) C4'-P energy: -8.414
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -0.941
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: 7, replica: 8
=====================================
Write number: 232
Temperature: 2.450000
Total energy: -33.250562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.250562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.250562 (E_RNA)
where:
Base-Base interactions energy: -6.923
where: short stacking energy: -1.500
Base-Backbone interact. energy: -0.455
local terms energy: -25.872792
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -5.609
flat angles C4'-P-C4' energy: -8.632
flat angles P-C4'-P energy: -4.560
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: 8, replica: 7
=====================================
Write number: 232
Temperature: 2.466667
Total energy: -35.975819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.975819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.975819 (E_RNA)
where:
Base-Base interactions energy: -6.368
where: short stacking energy: -6.699
Base-Backbone interact. energy: -0.331
local terms energy: -29.277222
where:
bonds (distance) C4'-P energy: -8.427
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -3.970
tors. eta vs tors. theta energy: 8.372
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: 1
=====================================
Write number: 232
Temperature: 2.483333
Total energy: -33.758704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.758704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.758704 (E_RNA)
where:
Base-Base interactions energy: -2.652
where: short stacking energy: -2.652
Base-Backbone interact. energy: -0.049
local terms energy: -31.058118
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -2.475
tors. eta vs tors. theta energy: 6.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 2.500000
Total energy: -28.780406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.780406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.780406 (E_RNA)
where:
Base-Base interactions energy: -3.923
where: short stacking energy: -2.914
Base-Backbone interact. energy: 2.885
local terms energy: -27.742679
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: 3.556
tors. eta vs tors. theta energy: 6.149
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: 1, replica: 5
=====================================
Write number: 233
Temperature: 2.350000
Total energy: -38.981498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.981498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.981498 (E_RNA)
where:
Base-Base interactions energy: -9.288
where: short stacking energy: -9.452
Base-Backbone interact. energy: -0.105
local terms energy: -29.587836
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: 9.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 233
Temperature: 2.366667
Total energy: -39.734352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.734352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.734352 (E_RNA)
where:
Base-Base interactions energy: -3.604
where: short stacking energy: -3.342
Base-Backbone interact. energy: 4.688
local terms energy: -40.818978
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -3.173
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: 3, replica: 3
=====================================
Write number: 233
Temperature: 2.383333
Total energy: -41.680920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.680920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.680920 (E_RNA)
where:
Base-Base interactions energy: -6.383
where: short stacking energy: -6.383
Base-Backbone interact. energy: -0.221
local terms energy: -35.076476
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -9.491
flat angles C4'-P-C4' energy: -6.782
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: 7.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 2.400000
Total energy: -42.047445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.047445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.047445 (E_RNA)
where:
Base-Base interactions energy: -8.532
where: short stacking energy: -8.532
Base-Backbone interact. energy: 0.599
local terms energy: -34.114998
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -6.983
flat angles C4'-P-C4' energy: -8.879
flat angles P-C4'-P energy: -8.883
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: 5, replica: 2
=====================================
Write number: 233
Temperature: 2.416667
Total energy: -41.498638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.498638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.498638 (E_RNA)
where:
Base-Base interactions energy: -12.461
where: short stacking energy: -11.467
Base-Backbone interact. energy: -0.337
local terms energy: -28.700723
where:
bonds (distance) C4'-P energy: -6.201
bonds (distance) P-C4' energy: -8.304
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: 9.564
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: 8
=====================================
Write number: 233
Temperature: 2.433333
Total energy: -40.449140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.449140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.449140 (E_RNA)
where:
Base-Base interactions energy: -15.720
where: short stacking energy: -10.863
Base-Backbone interact. energy: 0.902
local terms energy: -25.630799
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -7.286
flat angles P-C4'-P energy: -1.864
tors. eta vs tors. theta energy: 6.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 233
Temperature: 2.450000
Total energy: -40.245319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.245319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.245319 (E_RNA)
where:
Base-Base interactions energy: -10.231
where: short stacking energy: -9.471
Base-Backbone interact. energy: 0.701
local terms energy: -30.715025
where:
bonds (distance) C4'-P energy: -8.767
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -3.452
flat angles P-C4'-P energy: -3.470
tors. eta vs tors. theta energy: 4.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 233
Temperature: 2.466667
Total energy: -41.160892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.160892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.160892 (E_RNA)
where:
Base-Base interactions energy: -9.154
where: short stacking energy: -8.658
Base-Backbone interact. energy: -0.314
local terms energy: -31.693383
where:
bonds (distance) C4'-P energy: -6.691
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -5.497
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: 9, replica: 7
=====================================
Write number: 233
Temperature: 2.483333
Total energy: -40.657193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.657193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.657193 (E_RNA)
where:
Base-Base interactions energy: -5.401
where: short stacking energy: -5.092
Base-Backbone interact. energy: 0.414
local terms energy: -35.670410
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -9.931
flat angles C4'-P-C4' energy: -9.472
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: 8.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 233
Temperature: 2.500000
Total energy: -34.898002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.898002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.898002 (E_RNA)
where:
Base-Base interactions energy: -11.357
where: short stacking energy: -9.162
Base-Backbone interact. energy: -0.279
local terms energy: -23.262355
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -5.962
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: 1.127
tors. eta vs tors. theta energy: 5.672
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: 1, replica: 4
=====================================
Write number: 234
Temperature: 2.350000
Total energy: -42.901332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.901332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.901332 (E_RNA)
where:
Base-Base interactions energy: -6.859
where: short stacking energy: -5.716
Base-Backbone interact. energy: -0.293
local terms energy: -35.749330
where:
bonds (distance) C4'-P energy: -8.384
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: 0.969
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: 5
=====================================
Write number: 234
Temperature: 2.366667
Total energy: -34.690478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.690478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.690478 (E_RNA)
where:
Base-Base interactions energy: -8.066
where: short stacking energy: -7.554
Base-Backbone interact. energy: -0.363
local terms energy: -26.261001
where:
bonds (distance) C4'-P energy: -5.641
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: 9.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 234
Temperature: 2.383333
Total energy: -39.152262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.152262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.152262 (E_RNA)
where:
Base-Base interactions energy: -4.707
where: short stacking energy: -4.707
Base-Backbone interact. energy: -0.353
local terms energy: -34.092484
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -4.453
flat angles P-C4'-P energy: -2.837
tors. eta vs tors. theta energy: 9.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 2.400000
Total energy: -39.345314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.345314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.345314 (E_RNA)
where:
Base-Base interactions energy: -4.634
where: short stacking energy: -4.634
Base-Backbone interact. energy: 1.560
local terms energy: -36.270777
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: 0.057
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: 5, replica: 8
=====================================
Write number: 234
Temperature: 2.416667
Total energy: -37.281699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.281699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.281699 (E_RNA)
where:
Base-Base interactions energy: -17.159
where: short stacking energy: -15.433
Base-Backbone interact. energy: -0.393
local terms energy: -19.730491
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -5.867
flat angles C4'-P-C4' energy: -8.223
flat angles P-C4'-P energy: 1.786
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: 6, replica: 2
=====================================
Write number: 234
Temperature: 2.433333
Total energy: -34.717618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.717618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.717618 (E_RNA)
where:
Base-Base interactions energy: -8.410
where: short stacking energy: -6.329
Base-Backbone interact. energy: 0.132
local terms energy: -26.439994
where:
bonds (distance) C4'-P energy: -8.969
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -4.638
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: 8.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 234
Temperature: 2.450000
Total energy: -39.622670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.622670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.622670 (E_RNA)
where:
Base-Base interactions energy: -9.818
where: short stacking energy: -8.778
Base-Backbone interact. energy: 0.264
local terms energy: -30.068761
where:
bonds (distance) C4'-P energy: -7.634
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -6.510
flat angles P-C4'-P energy: -7.026
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: 8, replica: 6
=====================================
Write number: 234
Temperature: 2.466667
Total energy: -36.731664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.731664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.731664 (E_RNA)
where:
Base-Base interactions energy: -8.973
where: short stacking energy: -8.016
Base-Backbone interact. energy: 2.722
local terms energy: -30.481141
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -9.120
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: 6.900
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: 9, replica: 9
=====================================
Write number: 234
Temperature: 2.483333
Total energy: -32.070688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.070688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.070688 (E_RNA)
where:
Base-Base interactions energy: -3.902
where: short stacking energy: -2.399
Base-Backbone interact. energy: 1.822
local terms energy: -29.990061
where:
bonds (distance) C4'-P energy: -6.981
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: 5.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 2.500000
Total energy: -38.498620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.498620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.498620 (E_RNA)
where:
Base-Base interactions energy: -7.989
where: short stacking energy: -6.235
Base-Backbone interact. energy: -0.278
local terms energy: -30.231389
where:
bonds (distance) C4'-P energy: -6.737
bonds (distance) P-C4' energy: -10.107
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: 6.838
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: 235
Temperature: 2.350000
Total energy: -39.936816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.936816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.936816 (E_RNA)
where:
Base-Base interactions energy: -12.652
where: short stacking energy: -8.470
Base-Backbone interact. energy: 2.005
local terms energy: -29.290165
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: 2.975
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: 2, replica: 10
=====================================
Write number: 235
Temperature: 2.366667
Total energy: -35.204083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.204083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.204083 (E_RNA)
where:
Base-Base interactions energy: -2.754
where: short stacking energy: -2.754
Base-Backbone interact. energy: -0.578
local terms energy: -31.871968
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -6.941
flat angles P-C4'-P energy: -0.644
tors. eta vs tors. theta energy: 9.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 235
Temperature: 2.383333
Total energy: -47.367248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.367248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.367248 (E_RNA)
where:
Base-Base interactions energy: -10.904
where: short stacking energy: -6.872
Base-Backbone interact. energy: 1.695
local terms energy: -38.157485
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -7.576
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: 9.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 235
Temperature: 2.400000
Total energy: -36.085578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.085578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.085578 (E_RNA)
where:
Base-Base interactions energy: -2.904
where: short stacking energy: -2.904
Base-Backbone interact. energy: -0.480
local terms energy: -32.701630
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -9.031
flat angles P-C4'-P energy: -4.217
tors. eta vs tors. theta energy: 7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 2.416667
Total energy: -34.195764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.195764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.195764 (E_RNA)
where:
Base-Base interactions energy: -10.415
where: short stacking energy: -10.415
Base-Backbone interact. energy: -0.212
local terms energy: -23.569243
where:
bonds (distance) C4'-P energy: -1.914
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -4.051
tors. eta vs tors. theta energy: 6.580
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: 6, replica: 1
=====================================
Write number: 235
Temperature: 2.433333
Total energy: -39.052002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.052002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.052002 (E_RNA)
where:
Base-Base interactions energy: -3.663
where: short stacking energy: 0.487
Base-Backbone interact. energy: -0.273
local terms energy: -35.116341
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -4.801
tors. eta vs tors. theta energy: 14.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 235
Temperature: 2.450000
Total energy: -36.197277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.197277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.197277 (E_RNA)
where:
Base-Base interactions energy: -8.670
where: short stacking energy: -7.887
Base-Backbone interact. energy: -0.077
local terms energy: -27.449545
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -5.288
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: 2.067
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: 8, replica: 9
=====================================
Write number: 235
Temperature: 2.466667
Total energy: -41.472695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.472695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.472695 (E_RNA)
where:
Base-Base interactions energy: -13.755
where: short stacking energy: -12.970
Base-Backbone interact. energy: -0.249
local terms energy: -27.468076
where:
bonds (distance) C4'-P energy: -5.748
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: 8.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 235
Temperature: 2.483333
Total energy: -35.786524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.786524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.786524 (E_RNA)
where:
Base-Base interactions energy: -5.526
where: short stacking energy: -5.526
Base-Backbone interact. energy: -0.102
local terms energy: -30.158307
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -1.668
tors. eta vs tors. theta energy: 10.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 2.500000
Total energy: -33.395825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.395825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.395825 (E_RNA)
where:
Base-Base interactions energy: -6.034
where: short stacking energy: -6.034
Base-Backbone interact. energy: 0.073
local terms energy: -27.434665
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -8.628
flat angles C4'-P-C4' energy: -4.185
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: 8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 236
Temperature: 2.350000
Total energy: -38.459958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.459958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.459958 (E_RNA)
where:
Base-Base interactions energy: -9.731
where: short stacking energy: -9.731
Base-Backbone interact. energy: -0.205
local terms energy: -28.524006
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -8.022
flat angles C4'-P-C4' energy: -7.287
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: 7.238
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: 4
=====================================
Write number: 236
Temperature: 2.366667
Total energy: -41.389220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.389220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.389220 (E_RNA)
where:
Base-Base interactions energy: -11.280
where: short stacking energy: -8.477
Base-Backbone interact. energy: -0.329
local terms energy: -29.779988
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -5.770
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -5.607
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: 3, replica: 8
=====================================
Write number: 236
Temperature: 2.383333
Total energy: -44.703631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.703631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.703631 (E_RNA)
where:
Base-Base interactions energy: -10.485
where: short stacking energy: -7.806
Base-Backbone interact. energy: 0.701
local terms energy: -34.919753
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -5.137
tors. eta vs tors. theta energy: 8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 236
Temperature: 2.400000
Total energy: -37.839641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.839641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.839641 (E_RNA)
where:
Base-Base interactions energy: -7.672
where: short stacking energy: -5.772
Base-Backbone interact. energy: -0.741
local terms energy: -29.426308
where:
bonds (distance) C4'-P energy: -9.413
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -3.168
tors. eta vs tors. theta energy: 6.814
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: 1
=====================================
Write number: 236
Temperature: 2.416667
Total energy: -38.577820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.577820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.577820 (E_RNA)
where:
Base-Base interactions energy: -10.866
where: short stacking energy: -10.201
Base-Backbone interact. energy: -0.043
local terms energy: -27.668917
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: 1.173
tors. eta vs tors. theta energy: 11.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 236
Temperature: 2.433333
Total energy: -36.766577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.766577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.766577 (E_RNA)
where:
Base-Base interactions energy: -11.663
where: short stacking energy: -6.038
Base-Backbone interact. energy: -0.304
local terms energy: -24.799979
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -0.528
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: 10.571
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: 9
=====================================
Write number: 236
Temperature: 2.450000
Total energy: -35.026754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.026754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.026754 (E_RNA)
where:
Base-Base interactions energy: -0.533
where: short stacking energy: -0.568
Base-Backbone interact. energy: -0.226
local terms energy: -34.267908
where:
bonds (distance) C4'-P energy: -0.220
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -2.849
tors. eta vs tors. theta energy: 0.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 236
Temperature: 2.466667
Total energy: -42.034474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.034474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.034474 (E_RNA)
where:
Base-Base interactions energy: -7.258
where: short stacking energy: -7.258
Base-Backbone interact. energy: -0.099
local terms energy: -34.678359
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -1.847
tors. eta vs tors. theta energy: 5.902
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: 7
=====================================
Write number: 236
Temperature: 2.483333
Total energy: -40.722255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.722255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.722255 (E_RNA)
where:
Base-Base interactions energy: -7.777
where: short stacking energy: -6.676
Base-Backbone interact. energy: -0.367
local terms energy: -32.578107
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -10.322
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -3.897
tors. eta vs tors. theta energy: 8.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 236
Temperature: 2.500000
Total energy: -35.758307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.758307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.758307 (E_RNA)
where:
Base-Base interactions energy: -14.592
where: short stacking energy: -11.384
Base-Backbone interact. energy: 1.455
local terms energy: -22.621225
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -1.002
flat angles P-C4'-P energy: -1.979
tors. eta vs tors. theta energy: 4.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 237
Temperature: 2.350000
Total energy: -37.902070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.902070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.902070 (E_RNA)
where:
Base-Base interactions energy: -10.983
where: short stacking energy: -9.504
Base-Backbone interact. energy: -0.273
local terms energy: -26.645425
where:
bonds (distance) C4'-P energy: -9.389
bonds (distance) P-C4' energy: -6.041
flat angles C4'-P-C4' energy: -8.857
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: 7.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 237
Temperature: 2.366667
Total energy: -48.108220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.108220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.108220 (E_RNA)
where:
Base-Base interactions energy: -13.419
where: short stacking energy: -9.082
Base-Backbone interact. energy: 0.919
local terms energy: -35.608148
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: 9.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 2.383333
Total energy: -44.876543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.876543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.876543 (E_RNA)
where:
Base-Base interactions energy: -10.432
where: short stacking energy: -7.852
Base-Backbone interact. energy: 0.287
local terms energy: -34.732011
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: 0.767
tors. eta vs tors. theta energy: 7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 2.400000
Total energy: -37.911973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.911973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.911973 (E_RNA)
where:
Base-Base interactions energy: -7.617
where: short stacking energy: -7.617
Base-Backbone interact. energy: -0.329
local terms energy: -29.965676
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -7.820
flat angles P-C4'-P energy: -2.576
tors. eta vs tors. theta energy: 7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 237
Temperature: 2.416667
Total energy: -39.024065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.024065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.024065 (E_RNA)
where:
Base-Base interactions energy: -7.675
where: short stacking energy: -6.070
Base-Backbone interact. energy: 2.716
local terms energy: -34.064630
where:
bonds (distance) C4'-P energy: -9.012
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: 6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 237
Temperature: 2.433333
Total energy: -36.297608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.297608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.297608 (E_RNA)
where:
Base-Base interactions energy: -6.787
where: short stacking energy: -3.336
Base-Backbone interact. energy: -0.420
local terms energy: -29.090403
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -6.369
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: 8.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 237
Temperature: 2.450000
Total energy: -38.948400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.948400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.948400 (E_RNA)
where:
Base-Base interactions energy: -10.384
where: short stacking energy: -10.384
Base-Backbone interact. energy: -0.122
local terms energy: -28.442155
where:
bonds (distance) C4'-P energy: -7.964
bonds (distance) P-C4' energy: -8.959
flat angles C4'-P-C4' energy: -9.831
flat angles P-C4'-P energy: -6.860
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: 8, replica: 7
=====================================
Write number: 237
Temperature: 2.466667
Total energy: -31.263189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.263189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.263189 (E_RNA)
where:
Base-Base interactions energy: -3.868
where: short stacking energy: -3.238
Base-Backbone interact. energy: -0.434
local terms energy: -26.961136
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -3.389
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: 11.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 237
Temperature: 2.483333
Total energy: -43.088389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.088389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.088389 (E_RNA)
where:
Base-Base interactions energy: -12.722
where: short stacking energy: -12.722
Base-Backbone interact. energy: -0.293
local terms energy: -30.072619
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -5.997
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: 6.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 237
Temperature: 2.500000
Total energy: -37.866503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.866503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.866503 (E_RNA)
where:
Base-Base interactions energy: -8.650
where: short stacking energy: -8.650
Base-Backbone interact. energy: -0.075
local terms energy: -29.141860
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -10.288
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -0.410
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: 8
=====================================
Write number: 238
Temperature: 2.350000
Total energy: -41.155375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.155375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.155375 (E_RNA)
where:
Base-Base interactions energy: -13.660
where: short stacking energy: -11.312
Base-Backbone interact. energy: 0.592
local terms energy: -28.087525
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -7.219
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: 1.679
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: 2, replica: 10
=====================================
Write number: 238
Temperature: 2.366667
Total energy: -33.611322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.611322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.611322 (E_RNA)
where:
Base-Base interactions energy: -5.485
where: short stacking energy: -5.346
Base-Backbone interact. energy: -0.329
local terms energy: -27.797158
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -6.650
flat angles P-C4'-P energy: -0.807
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: 3, replica: 1
=====================================
Write number: 238
Temperature: 2.383333
Total energy: -40.620639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.620639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.620639 (E_RNA)
where:
Base-Base interactions energy: -14.075
where: short stacking energy: -11.775
Base-Backbone interact. energy: -0.464
local terms energy: -26.081434
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -10.340
flat angles P-C4'-P energy: 2.021
tors. eta vs tors. theta energy: 7.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 238
Temperature: 2.400000
Total energy: -35.468297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.468297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.468297 (E_RNA)
where:
Base-Base interactions energy: -4.138
where: short stacking energy: -4.138
Base-Backbone interact. energy: 1.026
local terms energy: -32.356054
where:
bonds (distance) C4'-P energy: -10.168
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -8.480
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: 5.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 238
Temperature: 2.416667
Total energy: -41.076139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.076139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.076139 (E_RNA)
where:
Base-Base interactions energy: -8.106
where: short stacking energy: -8.106
Base-Backbone interact. energy: -0.126
local terms energy: -32.844043
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -5.719
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: 6, replica: 5
=====================================
Write number: 238
Temperature: 2.433333
Total energy: -34.222831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.222831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.222831 (E_RNA)
where:
Base-Base interactions energy: -9.867
where: short stacking energy: -6.653
Base-Backbone interact. energy: -0.264
local terms energy: -24.091741
where:
bonds (distance) C4'-P energy: -9.389
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -7.059
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: 11.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 238
Temperature: 2.450000
Total energy: -34.752570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.752570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.752570 (E_RNA)
where:
Base-Base interactions energy: -6.585
where: short stacking energy: -7.633
Base-Backbone interact. energy: -0.179
local terms energy: -27.989312
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -7.126
flat angles P-C4'-P energy: -0.999
tors. eta vs tors. theta energy: 8.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 238
Temperature: 2.466667
Total energy: -36.952939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.952939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.952939 (E_RNA)
where:
Base-Base interactions energy: -7.222
where: short stacking energy: -7.222
Base-Backbone interact. energy: -0.375
local terms energy: -29.355944
where:
bonds (distance) C4'-P energy: -5.603
bonds (distance) P-C4' energy: -5.360
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -8.975
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: 9, replica: 6
=====================================
Write number: 238
Temperature: 2.483333
Total energy: -38.859288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.859288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.859288 (E_RNA)
where:
Base-Base interactions energy: -3.152
where: short stacking energy: -3.316
Base-Backbone interact. energy: 0.533
local terms energy: -36.239401
where:
bonds (distance) C4'-P energy: -9.033
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: 5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 238
Temperature: 2.500000
Total energy: -34.796952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.796952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.796952 (E_RNA)
where:
Base-Base interactions energy: -5.194
where: short stacking energy: -5.394
Base-Backbone interact. energy: -0.247
local terms energy: -29.355837
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: 0.590
tors. eta vs tors. theta energy: 9.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 239
Temperature: 2.350000
Total energy: -36.389202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.389202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.389202 (E_RNA)
where:
Base-Base interactions energy: -0.555
where: short stacking energy: -1.922
Base-Backbone interact. energy: 2.314
local terms energy: -38.148541
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -9.283
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: 7.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 2.366667
Total energy: -38.796283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.796283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.796283 (E_RNA)
where:
Base-Base interactions energy: -4.661
where: short stacking energy: -3.735
Base-Backbone interact. energy: -0.465
local terms energy: -33.669842
where:
bonds (distance) C4'-P energy: -7.510
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -9.779
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: 7.058
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: 3, replica: 10
=====================================
Write number: 239
Temperature: 2.383333
Total energy: -39.888221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.888221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.888221 (E_RNA)
where:
Base-Base interactions energy: -16.387
where: short stacking energy: -13.196
Base-Backbone interact. energy: 7.087
local terms energy: -30.588253
where:
bonds (distance) C4'-P energy: -9.235
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -0.531
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: 4, replica: 9
=====================================
Write number: 239
Temperature: 2.400000
Total energy: -41.027718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.027718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.027718 (E_RNA)
where:
Base-Base interactions energy: -11.344
where: short stacking energy: -11.344
Base-Backbone interact. energy: 5.937
local terms energy: -35.620590
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: 5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 239
Temperature: 2.416667
Total energy: -34.701296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.701296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.701296 (E_RNA)
where:
Base-Base interactions energy: -15.266
where: short stacking energy: -15.131
Base-Backbone interact. energy: 2.861
local terms energy: -22.295665
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -11.061
flat angles C4'-P-C4' energy: -4.656
flat angles P-C4'-P energy: -3.861
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: 6, replica: 7
=====================================
Write number: 239
Temperature: 2.433333
Total energy: -31.851804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.851804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.851804 (E_RNA)
where:
Base-Base interactions energy: -4.180
where: short stacking energy: -3.384
Base-Backbone interact. energy: -0.335
local terms energy: -27.336626
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -9.768
flat angles C4'-P-C4' energy: -4.991
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: 9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 2.450000
Total energy: -44.144258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.144258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.144258 (E_RNA)
where:
Base-Base interactions energy: -9.383
where: short stacking energy: -6.889
Base-Backbone interact. energy: -1.251
local terms energy: -33.510335
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: -2.915
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: 8, replica: 6
=====================================
Write number: 239
Temperature: 2.466667
Total energy: -38.202419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.202419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.202419 (E_RNA)
where:
Base-Base interactions energy: -12.615
where: short stacking energy: -11.118
Base-Backbone interact. energy: -0.242
local terms energy: -25.345840
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -4.239
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: 5.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 239
Temperature: 2.483333
Total energy: -33.583425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.583425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.583425 (E_RNA)
where:
Base-Base interactions energy: -11.761
where: short stacking energy: -9.231
Base-Backbone interact. energy: -1.347
local terms energy: -20.474852
where:
bonds (distance) C4'-P energy: -0.702
bonds (distance) P-C4' energy: -5.389
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: 4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 239
Temperature: 2.500000
Total energy: -34.731193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.731193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.731193 (E_RNA)
where:
Base-Base interactions energy: -5.165
where: short stacking energy: -3.757
Base-Backbone interact. energy: 0.977
local terms energy: -30.542657
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: 3.564
tors. eta vs tors. theta energy: 12.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 240
Temperature: 2.350000
Total energy: -42.708643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.708643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.708643 (E_RNA)
where:
Base-Base interactions energy: -0.944
where: short stacking energy: -0.696
Base-Backbone interact. energy: -0.233
local terms energy: -41.531607
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: 9.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 240
Temperature: 2.366667
Total energy: -41.380894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.380894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.380894 (E_RNA)
where:
Base-Base interactions energy: -11.580
where: short stacking energy: -9.545
Base-Backbone interact. energy: -0.956
local terms energy: -28.844993
where:
bonds (distance) C4'-P energy: -6.787
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -6.633
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: 1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 240
Temperature: 2.383333
Total energy: -37.998957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.998957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.998957 (E_RNA)
where:
Base-Base interactions energy: -1.243
where: short stacking energy: -0.692
Base-Backbone interact. energy: 0.006
local terms energy: -36.761397
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -7.304
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: 10.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 240
Temperature: 2.400000
Total energy: -34.531244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.531244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.531244 (E_RNA)
where:
Base-Base interactions energy: -3.169
where: short stacking energy: -1.253
Base-Backbone interact. energy: 2.903
local terms energy: -34.265744
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: 9.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 2.416667
Total energy: -32.689448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.689448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.689448 (E_RNA)
where:
Base-Base interactions energy: -2.604
where: short stacking energy: -0.052
Base-Backbone interact. energy: -0.482
local terms energy: -29.604071
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -0.160
flat angles P-C4'-P energy: -5.256
tors. eta vs tors. theta energy: 8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 240
Temperature: 2.433333
Total energy: -40.937923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.937923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.937923 (E_RNA)
where:
Base-Base interactions energy: -13.377
where: short stacking energy: -8.025
Base-Backbone interact. energy: -0.210
local terms energy: -27.350984
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -6.711
flat angles C4'-P-C4' energy: -6.549
flat angles P-C4'-P energy: -4.472
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: 7, replica: 6
=====================================
Write number: 240
Temperature: 2.450000
Total energy: -36.953442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.953442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.953442 (E_RNA)
where:
Base-Base interactions energy: -14.803
where: short stacking energy: -10.846
Base-Backbone interact. energy: -0.262
local terms energy: -21.888625
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: 0.878
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -2.494
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: 8, replica: 5
=====================================
Write number: 240
Temperature: 2.466667
Total energy: -39.379287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.379287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.379287 (E_RNA)
where:
Base-Base interactions energy: -14.951
where: short stacking energy: -14.951
Base-Backbone interact. energy: 1.255
local terms energy: -25.683415
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -1.646
flat angles P-C4'-P energy: 0.611
tors. eta vs tors. theta energy: 6.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 240
Temperature: 2.483333
Total energy: -36.964805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.964805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.964805 (E_RNA)
where:
Base-Base interactions energy: -6.674
where: short stacking energy: -6.674
Base-Backbone interact. energy: -0.238
local terms energy: -30.053433
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -1.803
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: 9.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 240
Temperature: 2.500000
Total energy: -35.503927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.503927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.503927 (E_RNA)
where:
Base-Base interactions energy: -10.309
where: short stacking energy: -8.237
Base-Backbone interact. energy: -0.179
local terms energy: -25.016124
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -7.316
flat angles C4'-P-C4' energy: -9.209
flat angles P-C4'-P energy: 1.953
tors. eta vs tors. theta energy: 4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 241
Temperature: 2.350000
Total energy: -42.023818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.023818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.023818 (E_RNA)
where:
Base-Base interactions energy: -11.393
where: short stacking energy: -9.311
Base-Backbone interact. energy: -0.215
local terms energy: -30.415945
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -7.793
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -2.519
tors. eta vs tors. theta energy: 5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 2.366667
Total energy: -39.404785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.404785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.404785 (E_RNA)
where:
Base-Base interactions energy: -5.013
where: short stacking energy: -3.508
Base-Backbone interact. energy: -0.473
local terms energy: -33.919588
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -9.460
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -3.984
tors. eta vs tors. theta energy: 6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 241
Temperature: 2.383333
Total energy: -35.365011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.365011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.365011 (E_RNA)
where:
Base-Base interactions energy: -11.815
where: short stacking energy: -11.815
Base-Backbone interact. energy: -0.081
local terms energy: -23.468223
where:
bonds (distance) C4'-P energy: -8.399
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -7.848
flat angles P-C4'-P energy: 0.097
tors. eta vs tors. theta energy: 9.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 241
Temperature: 2.400000
Total energy: -48.725933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.725933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.725933 (E_RNA)
where:
Base-Base interactions energy: -10.528
where: short stacking energy: -7.744
Base-Backbone interact. energy: -0.147
local terms energy: -38.051802
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: -4.457
tors. eta vs tors. theta energy: 6.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 241
Temperature: 2.416667
Total energy: -39.878326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.878326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.878326 (E_RNA)
where:
Base-Base interactions energy: 0.618
where: short stacking energy: 0.638
Base-Backbone interact. energy: -0.120
local terms energy: -40.376225
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -4.206
tors. eta vs tors. theta energy: 5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 241
Temperature: 2.433333
Total energy: -38.253291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.253291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.253291 (E_RNA)
where:
Base-Base interactions energy: -7.694
where: short stacking energy: -4.822
Base-Backbone interact. energy: -0.291
local terms energy: -30.267971
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -6.207
flat angles P-C4'-P energy: -3.455
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: 7, replica: 4
=====================================
Write number: 241
Temperature: 2.450000
Total energy: -34.690582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.690582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.690582 (E_RNA)
where:
Base-Base interactions energy: -6.245
where: short stacking energy: -5.946
Base-Backbone interact. energy: -1.389
local terms energy: -27.056166
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -5.809
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: 8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 241
Temperature: 2.466667
Total energy: -32.455264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.455264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.455264 (E_RNA)
where:
Base-Base interactions energy: -8.407
where: short stacking energy: -7.638
Base-Backbone interact. energy: 0.033
local terms energy: -24.081369
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -9.582
flat angles P-C4'-P energy: 3.895
tors. eta vs tors. theta energy: 4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 241
Temperature: 2.483333
Total energy: -32.613622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.613622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.613622 (E_RNA)
where:
Base-Base interactions energy: -5.285
where: short stacking energy: -3.225
Base-Backbone interact. energy: -0.373
local terms energy: -26.955558
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -2.755
flat angles P-C4'-P energy: -2.285
tors. eta vs tors. theta energy: 3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 241
Temperature: 2.500000
Total energy: -40.979912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.979912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.979912 (E_RNA)
where:
Base-Base interactions energy: -7.929
where: short stacking energy: -6.138
Base-Backbone interact. energy: -0.343
local terms energy: -32.708434
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -8.634
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: 7.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 2.350000
Total energy: -39.596036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.596036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.596036 (E_RNA)
where:
Base-Base interactions energy: -12.053
where: short stacking energy: -3.272
Base-Backbone interact. energy: -1.601
local terms energy: -25.942323
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -7.078
flat angles C4'-P-C4' energy: -6.486
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: 8.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 242
Temperature: 2.366667
Total energy: -39.549589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.549589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.549589 (E_RNA)
where:
Base-Base interactions energy: -12.763
where: short stacking energy: -11.499
Base-Backbone interact. energy: -0.138
local terms energy: -26.648861
where:
bonds (distance) C4'-P energy: -7.715
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -8.522
flat angles P-C4'-P energy: -2.667
tors. eta vs tors. theta energy: 6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 242
Temperature: 2.383333
Total energy: -34.771915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.771915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.771915 (E_RNA)
where:
Base-Base interactions energy: -6.961
where: short stacking energy: -6.961
Base-Backbone interact. energy: 0.062
local terms energy: -27.873741
where:
bonds (distance) C4'-P energy: -7.084
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -7.580
flat angles P-C4'-P energy: -4.775
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: 8
=====================================
Write number: 242
Temperature: 2.400000
Total energy: -34.830617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.830617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.830617 (E_RNA)
where:
Base-Base interactions energy: -4.546
where: short stacking energy: -4.546
Base-Backbone interact. energy: -0.320
local terms energy: -29.964727
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -7.784
flat angles C4'-P-C4' energy: -8.651
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: 7.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 242
Temperature: 2.416667
Total energy: -38.040651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.040651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.040651 (E_RNA)
where:
Base-Base interactions energy: -6.972
where: short stacking energy: -8.116
Base-Backbone interact. energy: 0.314
local terms energy: -31.383097
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -6.144
flat angles P-C4'-P energy: -5.434
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: 6, replica: 10
=====================================
Write number: 242
Temperature: 2.433333
Total energy: -43.700660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.700660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.700660 (E_RNA)
where:
Base-Base interactions energy: -5.738
where: short stacking energy: -5.738
Base-Backbone interact. energy: -0.126
local terms energy: -37.836419
where:
bonds (distance) C4'-P energy: -19.480
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -5.469
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: 5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 242
Temperature: 2.450000
Total energy: -42.214651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.214651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.214651 (E_RNA)
where:
Base-Base interactions energy: -10.140
where: short stacking energy: -9.632
Base-Backbone interact. energy: 0.368
local terms energy: -32.443290
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -5.668
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -7.478
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: 8, replica: 4
=====================================
Write number: 242
Temperature: 2.466667
Total energy: -42.143458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.143458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.143458 (E_RNA)
where:
Base-Base interactions energy: -9.653
where: short stacking energy: -8.931
Base-Backbone interact. energy: -0.396
local terms energy: -32.094643
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -2.757
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: 4.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 242
Temperature: 2.483333
Total energy: -36.115894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.115894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.115894 (E_RNA)
where:
Base-Base interactions energy: -3.692
where: short stacking energy: -4.050
Base-Backbone interact. energy: -0.218
local terms energy: -32.205777
where:
bonds (distance) C4'-P energy: -9.596
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -4.752
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: 5
=====================================
Write number: 242
Temperature: 2.500000
Total energy: -37.542496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.542496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.542496 (E_RNA)
where:
Base-Base interactions energy: -7.953
where: short stacking energy: -7.953
Base-Backbone interact. energy: 0.577
local terms energy: -30.166577
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -2.897
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: 4.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 243
Temperature: 2.350000
Total energy: -40.747670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.747670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.747670 (E_RNA)
where:
Base-Base interactions energy: -2.538
where: short stacking energy: -0.780
Base-Backbone interact. energy: -0.488
local terms energy: -37.721419
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -8.201
flat angles P-C4'-P energy: -3.803
tors. eta vs tors. theta energy: 10.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 243
Temperature: 2.366667
Total energy: -38.853308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.853308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.853308 (E_RNA)
where:
Base-Base interactions energy: -6.846
where: short stacking energy: -6.859
Base-Backbone interact. energy: -0.532
local terms energy: -31.475700
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -7.113
flat angles P-C4'-P energy: -0.706
tors. eta vs tors. theta energy: 4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 2.383333
Total energy: -35.365352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.365352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.365352 (E_RNA)
where:
Base-Base interactions energy: -6.140
where: short stacking energy: -7.940
Base-Backbone interact. energy: 0.309
local terms energy: -29.534594
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -6.633
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -2.370
tors. eta vs tors. theta energy: 6.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 243
Temperature: 2.400000
Total energy: -38.795324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.795324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.795324 (E_RNA)
where:
Base-Base interactions energy: -8.972
where: short stacking energy: -9.074
Base-Backbone interact. energy: -0.239
local terms energy: -29.583966
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -8.535
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: 6.026
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: 8
=====================================
Write number: 243
Temperature: 2.416667
Total energy: -39.832085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.832085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.832085 (E_RNA)
where:
Base-Base interactions energy: -20.697
where: short stacking energy: -20.697
Base-Backbone interact. energy: -0.397
local terms energy: -18.738517
where:
bonds (distance) C4'-P energy: -4.941
bonds (distance) P-C4' energy: -4.398
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -4.035
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: 2
=====================================
Write number: 243
Temperature: 2.433333
Total energy: -48.219941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.219941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.219941 (E_RNA)
where:
Base-Base interactions energy: -10.920
where: short stacking energy: -8.277
Base-Backbone interact. energy: 0.446
local terms energy: -37.746083
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -6.448
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: 7.185
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: 10
=====================================
Write number: 243
Temperature: 2.450000
Total energy: -36.783166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.783166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.783166 (E_RNA)
where:
Base-Base interactions energy: -2.807
where: short stacking energy: -0.336
Base-Backbone interact. energy: -0.429
local terms energy: -33.546897
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -6.891
flat angles P-C4'-P energy: -1.321
tors. eta vs tors. theta energy: 4.847
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: 3
=====================================
Write number: 243
Temperature: 2.466667
Total energy: -34.200748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.200748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.200748 (E_RNA)
where:
Base-Base interactions energy: -11.203
where: short stacking energy: -10.748
Base-Backbone interact. energy: 0.044
local terms energy: -23.041414
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: 2.305
tors. eta vs tors. theta energy: 9.156
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: 4
=====================================
Write number: 243
Temperature: 2.483333
Total energy: -31.257881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.257881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.257881 (E_RNA)
where:
Base-Base interactions energy: -2.866
where: short stacking energy: -2.866
Base-Backbone interact. energy: 0.020
local terms energy: -28.411829
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -5.407
flat angles P-C4'-P energy: -2.148
tors. eta vs tors. theta energy: 8.842
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: 5
=====================================
Write number: 243
Temperature: 2.500000
Total energy: -33.463326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.463326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.463326 (E_RNA)
where:
Base-Base interactions energy: -9.626
where: short stacking energy: -4.010
Base-Backbone interact. energy: 0.383
local terms energy: -24.220251
where:
bonds (distance) C4'-P energy: -6.414
bonds (distance) P-C4' energy: -7.191
flat angles C4'-P-C4' energy: -7.653
flat angles P-C4'-P energy: -7.463
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: 1, replica: 7
=====================================
Write number: 244
Temperature: 2.350000
Total energy: -48.439431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.439431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.439431 (E_RNA)
where:
Base-Base interactions energy: -11.286
where: short stacking energy: -8.100
Base-Backbone interact. energy: -0.473
local terms energy: -36.680404
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -8.966
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: 0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 244
Temperature: 2.366667
Total energy: -39.235990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.235990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.235990 (E_RNA)
where:
Base-Base interactions energy: -2.434
where: short stacking energy: -2.962
Base-Backbone interact. energy: -0.146
local terms energy: -36.655471
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: 0.337
tors. eta vs tors. theta energy: 8.802
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: 6
=====================================
Write number: 244
Temperature: 2.383333
Total energy: -39.891022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.891022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.891022 (E_RNA)
where:
Base-Base interactions energy: -7.318
where: short stacking energy: -7.318
Base-Backbone interact. energy: -0.100
local terms energy: -32.473092
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -9.052
flat angles P-C4'-P energy: -5.276
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: 4, replica: 1
=====================================
Write number: 244
Temperature: 2.400000
Total energy: -43.001410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.001410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.001410 (E_RNA)
where:
Base-Base interactions energy: -14.103
where: short stacking energy: -14.934
Base-Backbone interact. energy: -0.117
local terms energy: -28.781617
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -8.227
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: 0.772
tors. eta vs tors. theta energy: 2.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 2.416667
Total energy: -38.945474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.945474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.945474 (E_RNA)
where:
Base-Base interactions energy: -5.145
where: short stacking energy: -4.898
Base-Backbone interact. energy: -0.853
local terms energy: -32.947680
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -2.466
tors. eta vs tors. theta energy: 8.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 2.433333
Total energy: -32.849715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.849715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.849715 (E_RNA)
where:
Base-Base interactions energy: -10.308
where: short stacking energy: -8.180
Base-Backbone interact. energy: -0.469
local terms energy: -22.073242
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -9.170
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -1.848
tors. eta vs tors. theta energy: 13.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 244
Temperature: 2.450000
Total energy: -39.019519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.019519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.019519 (E_RNA)
where:
Base-Base interactions energy: -4.039
where: short stacking energy: -3.899
Base-Backbone interact. energy: 1.967
local terms energy: -36.947988
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -7.474
flat angles P-C4'-P energy: -8.200
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: 8, replica: 10
=====================================
Write number: 244
Temperature: 2.466667
Total energy: -44.913247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.913247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.913247 (E_RNA)
where:
Base-Base interactions energy: -11.554
where: short stacking energy: -6.891
Base-Backbone interact. energy: 1.538
local terms energy: -34.897285
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -9.097
flat angles P-C4'-P energy: -8.724
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: 9, replica: 5
=====================================
Write number: 244
Temperature: 2.483333
Total energy: -32.718528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.718528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.718528 (E_RNA)
where:
Base-Base interactions energy: -1.337
where: short stacking energy: -1.337
Base-Backbone interact. energy: -0.166
local terms energy: -31.215561
where:
bonds (distance) C4'-P energy: -2.508
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: 6.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 244
Temperature: 2.500000
Total energy: -32.511195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.511195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.511195 (E_RNA)
where:
Base-Base interactions energy: -7.652
where: short stacking energy: -5.723
Base-Backbone interact. energy: -0.321
local terms energy: -24.538249
where:
bonds (distance) C4'-P energy: -5.198
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: 0.263
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: 1, replica: 7
=====================================
Write number: 245
Temperature: 2.350000
Total energy: -34.732421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.732421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.732421 (E_RNA)
where:
Base-Base interactions energy: -5.911
where: short stacking energy: -5.911
Base-Backbone interact. energy: -0.920
local terms energy: -27.901702
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: 2.654
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: 6.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 245
Temperature: 2.366667
Total energy: -38.960684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.960684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.960684 (E_RNA)
where:
Base-Base interactions energy: -13.595
where: short stacking energy: -11.982
Base-Backbone interact. energy: 0.091
local terms energy: -25.456487
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -9.135
flat angles C4'-P-C4' energy: 3.639
flat angles P-C4'-P energy: -10.579
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: 3, replica: 9
=====================================
Write number: 245
Temperature: 2.383333
Total energy: -36.890961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.890961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.890961 (E_RNA)
where:
Base-Base interactions energy: -1.212
where: short stacking energy: -1.044
Base-Backbone interact. energy: 1.618
local terms energy: -37.297358
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -10.272
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: 7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 245
Temperature: 2.400000
Total energy: -39.737938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.737938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.737938 (E_RNA)
where:
Base-Base interactions energy: -9.995
where: short stacking energy: -6.256
Base-Backbone interact. energy: -0.264
local terms energy: -29.479134
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -4.858
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: 10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 245
Temperature: 2.416667
Total energy: -44.645522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.645522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.645522 (E_RNA)
where:
Base-Base interactions energy: -4.259
where: short stacking energy: -4.259
Base-Backbone interact. energy: -0.106
local terms energy: -40.280213
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: 2.912
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: 3
=====================================
Write number: 245
Temperature: 2.433333
Total energy: -36.515645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.515645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.515645 (E_RNA)
where:
Base-Base interactions energy: -9.277
where: short stacking energy: -8.951
Base-Backbone interact. energy: 0.186
local terms energy: -27.424357
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -3.866
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: 10.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 2.450000
Total energy: -35.208209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.208209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.208209 (E_RNA)
where:
Base-Base interactions energy: -11.011
where: short stacking energy: -10.359
Base-Backbone interact. energy: -0.328
local terms energy: -23.869373
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -7.204
flat angles C4'-P-C4' energy: -8.601
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: 9.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 245
Temperature: 2.466667
Total energy: -39.400470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.400470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.400470 (E_RNA)
where:
Base-Base interactions energy: -5.894
where: short stacking energy: -5.360
Base-Backbone interact. energy: 0.218
local terms energy: -33.724934
where:
bonds (distance) C4'-P energy: -7.963
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: 3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 245
Temperature: 2.483333
Total energy: -39.667844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.667844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.667844 (E_RNA)
where:
Base-Base interactions energy: -7.160
where: short stacking energy: -2.056
Base-Backbone interact. energy: -0.798
local terms energy: -31.709740
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -3.120
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: 8.712
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: 245
Temperature: 2.500000
Total energy: -34.569447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.569447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.569447 (E_RNA)
where:
Base-Base interactions energy: -5.150
where: short stacking energy: -4.051
Base-Backbone interact. energy: -0.474
local terms energy: -28.945836
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -6.664
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: 8.652
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: 6
=====================================
Write number: 246
Temperature: 2.350000
Total energy: -40.152744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.152744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.152744 (E_RNA)
where:
Base-Base interactions energy: -12.331
where: short stacking energy: -10.574
Base-Backbone interact. energy: -1.087
local terms energy: -26.733787
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -7.877
flat angles C4'-P-C4' energy: -1.714
flat angles P-C4'-P energy: -10.761
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: 2, replica: 7
=====================================
Write number: 246
Temperature: 2.366667
Total energy: -34.207679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.207679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.207679 (E_RNA)
where:
Base-Base interactions energy: -1.633
where: short stacking energy: -1.054
Base-Backbone interact. energy: 1.232
local terms energy: -33.806257
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -8.655
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: 8.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 246
Temperature: 2.383333
Total energy: -39.234296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.234296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.234296 (E_RNA)
where:
Base-Base interactions energy: -8.325
where: short stacking energy: -7.491
Base-Backbone interact. energy: 0.222
local terms energy: -31.131157
where:
bonds (distance) C4'-P energy: -3.190
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -8.738
flat angles P-C4'-P energy: -6.294
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: 4, replica: 9
=====================================
Write number: 246
Temperature: 2.400000
Total energy: -39.136395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.136395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.136395 (E_RNA)
where:
Base-Base interactions energy: -6.451
where: short stacking energy: -6.250
Base-Backbone interact. energy: -0.832
local terms energy: -31.853397
where:
bonds (distance) C4'-P energy: -4.527
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -2.371
tors. eta vs tors. theta energy: 4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 246
Temperature: 2.416667
Total energy: -39.599638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.599638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.599638 (E_RNA)
where:
Base-Base interactions energy: -11.167
where: short stacking energy: -5.760
Base-Backbone interact. energy: -0.134
local terms energy: -28.298831
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -2.016
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -4.074
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: 6, replica: 1
=====================================
Write number: 246
Temperature: 2.433333
Total energy: -42.443764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.443764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.443764 (E_RNA)
where:
Base-Base interactions energy: -8.853
where: short stacking energy: -8.853
Base-Backbone interact. energy: -0.084
local terms energy: -33.507250
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -7.576
flat angles P-C4'-P energy: -2.321
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: 7, replica: 5
=====================================
Write number: 246
Temperature: 2.450000
Total energy: -36.733835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.733835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.733835 (E_RNA)
where:
Base-Base interactions energy: -4.472
where: short stacking energy: -3.102
Base-Backbone interact. energy: 0.975
local terms energy: -33.237334
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -7.708
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: 8.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 2.466667
Total energy: -41.101331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.101331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.101331 (E_RNA)
where:
Base-Base interactions energy: -4.297
where: short stacking energy: -1.626
Base-Backbone interact. energy: -0.181
local terms energy: -36.623277
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: 3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 246
Temperature: 2.483333
Total energy: -37.881118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.881118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.881118 (E_RNA)
where:
Base-Base interactions energy: -9.594
where: short stacking energy: -8.039
Base-Backbone interact. energy: 0.113
local terms energy: -28.400019
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -7.472
flat angles C4'-P-C4' energy: -4.784
flat angles P-C4'-P energy: -9.350
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: 10, replica: 10
=====================================
Write number: 246
Temperature: 2.500000
Total energy: -38.697630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.697630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.697630 (E_RNA)
where:
Base-Base interactions energy: -6.498
where: short stacking energy: -5.823
Base-Backbone interact. energy: -0.732
local terms energy: -31.467906
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -11.533
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: 7.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 247
Temperature: 2.350000
Total energy: -36.318157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.318157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.318157 (E_RNA)
where:
Base-Base interactions energy: -8.531
where: short stacking energy: -5.191
Base-Backbone interact. energy: -0.363
local terms energy: -27.424155
where:
bonds (distance) C4'-P energy: -2.661
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -3.790
tors. eta vs tors. theta energy: 5.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 247
Temperature: 2.366667
Total energy: -44.056716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.056716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.056716 (E_RNA)
where:
Base-Base interactions energy: -7.704
where: short stacking energy: -6.334
Base-Backbone interact. energy: 2.386
local terms energy: -38.738198
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -4.549
flat angles P-C4'-P energy: -2.449
tors. eta vs tors. theta energy: 0.922
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: 3, replica: 7
=====================================
Write number: 247
Temperature: 2.383333
Total energy: -36.848950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.848950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.848950 (E_RNA)
where:
Base-Base interactions energy: -10.624
where: short stacking energy: -10.624
Base-Backbone interact. energy: 1.354
local terms energy: -27.579112
where:
bonds (distance) C4'-P energy: -8.876
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -9.311
flat angles P-C4'-P energy: -2.957
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: 4, replica: 3
=====================================
Write number: 247
Temperature: 2.400000
Total energy: -41.995455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.995455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.995455 (E_RNA)
where:
Base-Base interactions energy: -9.950
where: short stacking energy: -8.857
Base-Backbone interact. energy: -0.329
local terms energy: -31.716144
where:
bonds (distance) C4'-P energy: -9.184
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -7.932
flat angles P-C4'-P energy: -9.526
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: 5, replica: 9
=====================================
Write number: 247
Temperature: 2.416667
Total energy: -35.444917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.444917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.444917 (E_RNA)
where:
Base-Base interactions energy: -5.284
where: short stacking energy: -4.178
Base-Backbone interact. energy: 0.510
local terms energy: -30.671334
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -6.773
flat angles P-C4'-P energy: -2.610
tors. eta vs tors. theta energy: 6.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 247
Temperature: 2.433333
Total energy: -35.527279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.527279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.527279 (E_RNA)
where:
Base-Base interactions energy: -2.898
where: short stacking energy: -2.643
Base-Backbone interact. energy: -0.047
local terms energy: -32.582227
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -7.279
flat angles P-C4'-P energy: -3.270
tors. eta vs tors. theta energy: 11.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 247
Temperature: 2.450000
Total energy: -37.977045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.977045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.977045 (E_RNA)
where:
Base-Base interactions energy: -11.369
where: short stacking energy: -11.369
Base-Backbone interact. energy: -0.194
local terms energy: -26.414264
where:
bonds (distance) C4'-P energy: -3.099
bonds (distance) P-C4' energy: -9.411
flat angles C4'-P-C4' energy: -8.060
flat angles P-C4'-P energy: -11.446
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: 8, replica: 4
=====================================
Write number: 247
Temperature: 2.466667
Total energy: -34.194530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.194530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.194530 (E_RNA)
where:
Base-Base interactions energy: -14.014
where: short stacking energy: -7.112
Base-Backbone interact. energy: -0.200
local terms energy: -19.980370
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -8.356
flat angles C4'-P-C4' energy: 0.202
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: 6.815
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: 8
=====================================
Write number: 247
Temperature: 2.483333
Total energy: -30.634206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.634206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.634206 (E_RNA)
where:
Base-Base interactions energy: -5.930
where: short stacking energy: -2.778
Base-Backbone interact. energy: 0.887
local terms energy: -25.591375
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -8.921
flat angles C4'-P-C4' energy: -7.544
flat angles P-C4'-P energy: -2.749
tors. eta vs tors. theta energy: 8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 247
Temperature: 2.500000
Total energy: -35.726402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.726402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.726402 (E_RNA)
where:
Base-Base interactions energy: -10.705
where: short stacking energy: -11.305
Base-Backbone interact. energy: -0.251
local terms energy: -24.770699
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -3.250
flat angles P-C4'-P energy: -5.842
tors. eta vs tors. theta energy: 6.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 248
Temperature: 2.350000
Total energy: -38.282735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.282735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.282735 (E_RNA)
where:
Base-Base interactions energy: -7.763
where: short stacking energy: -8.463
Base-Backbone interact. energy: -0.057
local terms energy: -30.462509
where:
bonds (distance) C4'-P energy: -6.071
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -0.264
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: 2, replica: 6
=====================================
Write number: 248
Temperature: 2.366667
Total energy: -36.876986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.876986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.876986 (E_RNA)
where:
Base-Base interactions energy: -3.854
where: short stacking energy: -2.001
Base-Backbone interact. energy: 1.722
local terms energy: -34.745014
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -8.848
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: 9.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 248
Temperature: 2.383333
Total energy: -42.626798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.626798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.626798 (E_RNA)
where:
Base-Base interactions energy: -4.705
where: short stacking energy: -3.152
Base-Backbone interact. energy: -0.436
local terms energy: -37.485036
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -9.519
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: 10.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 248
Temperature: 2.400000
Total energy: -39.575105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.575105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.575105 (E_RNA)
where:
Base-Base interactions energy: -9.285
where: short stacking energy: -7.025
Base-Backbone interact. energy: 2.647
local terms energy: -32.936727
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -6.727
flat angles P-C4'-P energy: -2.707
tors. eta vs tors. theta energy: 3.770
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: 5
=====================================
Write number: 248
Temperature: 2.416667
Total energy: -35.966477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.966477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.966477 (E_RNA)
where:
Base-Base interactions energy: -9.660
where: short stacking energy: -9.422
Base-Backbone interact. energy: 0.927
local terms energy: -27.233809
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: 8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 248
Temperature: 2.433333
Total energy: -34.285943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.285943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.285943 (E_RNA)
where:
Base-Base interactions energy: -4.598
where: short stacking energy: -2.266
Base-Backbone interact. energy: 0.081
local terms energy: -29.768436
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -5.509
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -3.586
tors. eta vs tors. theta energy: 9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 248
Temperature: 2.450000
Total energy: -40.510190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.510190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.510190 (E_RNA)
where:
Base-Base interactions energy: -6.873
where: short stacking energy: -6.551
Base-Backbone interact. energy: 3.159
local terms energy: -36.796069
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -9.536
flat angles P-C4'-P energy: -4.588
tors. eta vs tors. theta energy: 3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 248
Temperature: 2.466667
Total energy: -35.216088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.216088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.216088 (E_RNA)
where:
Base-Base interactions energy: -16.569
where: short stacking energy: -15.261
Base-Backbone interact. energy: 2.392
local terms energy: -21.038840
where:
bonds (distance) C4'-P energy: -4.041
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -10.199
flat angles P-C4'-P energy: -1.323
tors. eta vs tors. theta energy: 8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 248
Temperature: 2.483333
Total energy: -41.582004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.582004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.582004 (E_RNA)
where:
Base-Base interactions energy: -8.151
where: short stacking energy: -6.784
Base-Backbone interact. energy: -0.209
local terms energy: -33.222033
where:
bonds (distance) C4'-P energy: -7.256
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: 9.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 248
Temperature: 2.500000
Total energy: -36.351876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.351876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.351876 (E_RNA)
where:
Base-Base interactions energy: -6.351
where: short stacking energy: -4.211
Base-Backbone interact. energy: -0.463
local terms energy: -29.537575
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -2.218
tors. eta vs tors. theta energy: 13.449
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: 2
=====================================
Write number: 249
Temperature: 2.350000
Total energy: -38.991846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.991846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.991846 (E_RNA)
where:
Base-Base interactions energy: -6.235
where: short stacking energy: -6.235
Base-Backbone interact. energy: -0.103
local terms energy: -32.653907
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -9.771
flat angles P-C4'-P energy: 4.501
tors. eta vs tors. theta energy: 0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 249
Temperature: 2.366667
Total energy: -35.277125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.277125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.277125 (E_RNA)
where:
Base-Base interactions energy: -3.218
where: short stacking energy: -2.758
Base-Backbone interact. energy: -0.356
local terms energy: -31.702255
where:
bonds (distance) C4'-P energy: -7.975
bonds (distance) P-C4' energy: -8.915
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -4.258
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: 3, replica: 6
=====================================
Write number: 249
Temperature: 2.383333
Total energy: -38.090888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.090888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.090888 (E_RNA)
where:
Base-Base interactions energy: -3.405
where: short stacking energy: -3.405
Base-Backbone interact. energy: 1.363
local terms energy: -36.048232
where:
bonds (distance) C4'-P energy: -5.053
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: 0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 249
Temperature: 2.400000
Total energy: -39.565937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.565937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.565937 (E_RNA)
where:
Base-Base interactions energy: -11.739
where: short stacking energy: -9.254
Base-Backbone interact. energy: -0.756
local terms energy: -27.071360
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -2.818
tors. eta vs tors. theta energy: 8.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 249
Temperature: 2.416667
Total energy: -41.573846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.573846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.573846 (E_RNA)
where:
Base-Base interactions energy: -10.101
where: short stacking energy: -5.108
Base-Backbone interact. energy: 0.332
local terms energy: -31.805137
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -8.496
flat angles C4'-P-C4' energy: -4.702
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: 8.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 249
Temperature: 2.433333
Total energy: -38.522411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.522411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.522411 (E_RNA)
where:
Base-Base interactions energy: -1.357
where: short stacking energy: -0.536
Base-Backbone interact. energy: -0.605
local terms energy: -36.560344
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: 8.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 249
Temperature: 2.450000
Total energy: -43.695389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.695389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.695389 (E_RNA)
where:
Base-Base interactions energy: -5.035
where: short stacking energy: -5.193
Base-Backbone interact. energy: -0.209
local terms energy: -38.451168
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: 5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 249
Temperature: 2.466667
Total energy: -34.572628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.572628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.572628 (E_RNA)
where:
Base-Base interactions energy: -7.619
where: short stacking energy: -6.841
Base-Backbone interact. energy: 1.425
local terms energy: -28.378474
where:
bonds (distance) C4'-P energy: -8.933
bonds (distance) P-C4' energy: -7.558
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: 0.446
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: 9, replica: 1
=====================================
Write number: 249
Temperature: 2.483333
Total energy: -34.653064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.653064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.653064 (E_RNA)
where:
Base-Base interactions energy: -4.372
where: short stacking energy: -4.193
Base-Backbone interact. energy: -0.541
local terms energy: -29.740259
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -9.861
flat angles P-C4'-P energy: -4.461
tors. eta vs tors. theta energy: 11.031
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: 10, replica: 8
=====================================
Write number: 249
Temperature: 2.500000
Total energy: -34.423073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.423073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.423073 (E_RNA)
where:
Base-Base interactions energy: -9.116
where: short stacking energy: -4.098
Base-Backbone interact. energy: 1.771
local terms energy: -27.077959
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -3.775
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: 5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 2.350000
Total energy: -36.109264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.109264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.109264 (E_RNA)
where:
Base-Base interactions energy: -7.852
where: short stacking energy: -7.852
Base-Backbone interact. energy: -0.338
local terms energy: -27.919364
where:
bonds (distance) C4'-P energy: -7.376
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -3.772
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: 2, replica: 2
=====================================
Write number: 250
Temperature: 2.366667
Total energy: -36.301392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.301392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.301392 (E_RNA)
where:
Base-Base interactions energy: -16.734
where: short stacking energy: -12.811
Base-Backbone interact. energy: 3.869
local terms energy: -23.436060
where:
bonds (distance) C4'-P energy: -7.420
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -3.251
flat angles P-C4'-P energy: 2.770
tors. eta vs tors. theta energy: 2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 250
Temperature: 2.383333
Total energy: -36.583180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.583180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.583180 (E_RNA)
where:
Base-Base interactions energy: -4.336
where: short stacking energy: -5.302
Base-Backbone interact. energy: 1.275
local terms energy: -33.522428
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -7.607
flat angles P-C4'-P energy: -2.407
tors. eta vs tors. theta energy: 5.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 250
Temperature: 2.400000
Total energy: -35.024981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.024981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.024981 (E_RNA)
where:
Base-Base interactions energy: -1.948
where: short stacking energy: -1.948
Base-Backbone interact. energy: -0.085
local terms energy: -32.992244
where:
bonds (distance) C4'-P energy: -7.350
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -5.844
tors. eta vs tors. theta energy: 6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 250
Temperature: 2.416667
Total energy: -34.807240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.807240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.807240 (E_RNA)
where:
Base-Base interactions energy: -6.123
where: short stacking energy: -6.123
Base-Backbone interact. energy: -0.294
local terms energy: -28.390682
where:
bonds (distance) C4'-P energy: -8.277
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -4.836
flat angles P-C4'-P energy: -6.015
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: 6, replica: 7
=====================================
Write number: 250
Temperature: 2.433333
Total energy: -37.115255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.115255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.115255 (E_RNA)
where:
Base-Base interactions energy: -9.155
where: short stacking energy: -8.366
Base-Backbone interact. energy: 1.099
local terms energy: -29.059993
where:
bonds (distance) C4'-P energy: -8.282
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -8.739
flat angles P-C4'-P energy: -0.434
tors. eta vs tors. theta energy: 4.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 250
Temperature: 2.450000
Total energy: -36.444879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.444879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.444879 (E_RNA)
where:
Base-Base interactions energy: -5.064
where: short stacking energy: -5.372
Base-Backbone interact. energy: -0.282
local terms energy: -31.098990
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: 0.368
tors. eta vs tors. theta energy: 10.226
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: 8, replica: 9
=====================================
Write number: 250
Temperature: 2.466667
Total energy: -35.224854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.224854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.224854 (E_RNA)
where:
Base-Base interactions energy: -10.064
where: short stacking energy: -4.779
Base-Backbone interact. energy: -0.319
local terms energy: -24.841759
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -3.683
flat angles P-C4'-P energy: -3.704
tors. eta vs tors. theta energy: 11.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 250
Temperature: 2.483333
Total energy: -38.275322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.275322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.275322 (E_RNA)
where:
Base-Base interactions energy: -13.644
where: short stacking energy: -13.541
Base-Backbone interact. energy: -0.334
local terms energy: -24.296932
where:
bonds (distance) C4'-P energy: -6.967
bonds (distance) P-C4' energy: -10.724
flat angles C4'-P-C4' energy: -6.546
flat angles P-C4'-P energy: -6.686
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: 10, replica: 1
=====================================
Write number: 250
Temperature: 2.500000
Total energy: -46.956382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.956382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.956382 (E_RNA)
where:
Base-Base interactions energy: -5.469
where: short stacking energy: -5.469
Base-Backbone interact. energy: -0.266
local terms energy: -41.221054
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -7.890
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: 1, replica: 3
=====================================
Write number: 251
Temperature: 2.350000
Total energy: -42.382150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.382150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.382150 (E_RNA)
where:
Base-Base interactions energy: -7.055
where: short stacking energy: -7.155
Base-Backbone interact. energy: -0.126
local terms energy: -35.200523
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -4.352
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: 2, replica: 5
=====================================
Write number: 251
Temperature: 2.366667
Total energy: -35.424790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.424790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.424790 (E_RNA)
where:
Base-Base interactions energy: -3.115
where: short stacking energy: -2.348
Base-Backbone interact. energy: 0.566
local terms energy: -32.875706
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -9.550
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: 11.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 2.383333
Total energy: -41.127207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.127207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.127207 (E_RNA)
where:
Base-Base interactions energy: -7.222
where: short stacking energy: -4.316
Base-Backbone interact. energy: -0.402
local terms energy: -33.503513
where:
bonds (distance) C4'-P energy: -9.251
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -2.904
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: 4, replica: 4
=====================================
Write number: 251
Temperature: 2.400000
Total energy: -43.609937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.609937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.609937 (E_RNA)
where:
Base-Base interactions energy: -12.032
where: short stacking energy: -11.452
Base-Backbone interact. energy: -0.201
local terms energy: -31.376551
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -10.035
flat angles C4'-P-C4' energy: -6.476
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: 2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 251
Temperature: 2.416667
Total energy: -36.901257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.901257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.901257 (E_RNA)
where:
Base-Base interactions energy: -3.255
where: short stacking energy: -3.255
Base-Backbone interact. energy: 0.787
local terms energy: -34.433656
where:
bonds (distance) C4'-P energy: -7.549
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: 6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 251
Temperature: 2.433333
Total energy: -37.785658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.785658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.785658 (E_RNA)
where:
Base-Base interactions energy: -8.336
where: short stacking energy: -7.324
Base-Backbone interact. energy: -0.974
local terms energy: -28.476000
where:
bonds (distance) C4'-P energy: -6.700
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: 1.597
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: 7, replica: 7
=====================================
Write number: 251
Temperature: 2.450000
Total energy: -39.352936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.352936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.352936 (E_RNA)
where:
Base-Base interactions energy: -11.542
where: short stacking energy: -10.014
Base-Backbone interact. energy: -0.139
local terms energy: -27.672092
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -8.707
flat angles P-C4'-P energy: 4.783
tors. eta vs tors. theta energy: 6.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 251
Temperature: 2.466667
Total energy: -34.646159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.646159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.646159 (E_RNA)
where:
Base-Base interactions energy: -5.778
where: short stacking energy: -5.778
Base-Backbone interact. energy: 0.384
local terms energy: -29.252028
where:
bonds (distance) C4'-P energy: -2.960
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: 4.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 2.483333
Total energy: -37.077769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.077769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.077769 (E_RNA)
where:
Base-Base interactions energy: -7.358
where: short stacking energy: -7.295
Base-Backbone interact. energy: -0.331
local terms energy: -29.387867
where:
bonds (distance) C4'-P energy: -6.850
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -3.953
tors. eta vs tors. theta energy: 6.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 251
Temperature: 2.500000
Total energy: -42.149479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.149479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.149479 (E_RNA)
where:
Base-Base interactions energy: -11.343
where: short stacking energy: -11.343
Base-Backbone interact. energy: 0.011
local terms energy: -30.816904
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -8.639
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -3.426
tors. eta vs tors. theta energy: 2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 252
Temperature: 2.350000
Total energy: -42.833141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.833141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.833141 (E_RNA)
where:
Base-Base interactions energy: -6.421
where: short stacking energy: -4.492
Base-Backbone interact. energy: 0.082
local terms energy: -36.493363
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: 7.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 252
Temperature: 2.366667
Total energy: -40.708044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.708044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.708044 (E_RNA)
where:
Base-Base interactions energy: -13.121
where: short stacking energy: -13.121
Base-Backbone interact. energy: -0.279
local terms energy: -27.308092
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -6.675
flat angles P-C4'-P energy: -0.064
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: 4
=====================================
Write number: 252
Temperature: 2.383333
Total energy: -41.619408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.619408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.619408 (E_RNA)
where:
Base-Base interactions energy: -6.946
where: short stacking energy: -6.946
Base-Backbone interact. energy: -1.312
local terms energy: -33.361421
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -4.990
flat angles P-C4'-P energy: -5.440
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: 2
=====================================
Write number: 252
Temperature: 2.400000
Total energy: -37.146839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.146839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.146839 (E_RNA)
where:
Base-Base interactions energy: -7.803
where: short stacking energy: -7.803
Base-Backbone interact. energy: 1.732
local terms energy: -31.075975
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -4.582
tors. eta vs tors. theta energy: 9.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 2.416667
Total energy: -35.281913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.281913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.281913 (E_RNA)
where:
Base-Base interactions energy: -11.301
where: short stacking energy: -8.340
Base-Backbone interact. energy: 1.767
local terms energy: -25.747505
where:
bonds (distance) C4'-P energy: -7.007
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -0.204
tors. eta vs tors. theta energy: 10.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 252
Temperature: 2.433333
Total energy: -38.094937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.094937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.094937 (E_RNA)
where:
Base-Base interactions energy: -5.322
where: short stacking energy: -5.273
Base-Backbone interact. energy: 0.203
local terms energy: -32.976272
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: 12.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 252
Temperature: 2.450000
Total energy: -38.027905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.027905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.027905 (E_RNA)
where:
Base-Base interactions energy: -5.201
where: short stacking energy: -4.796
Base-Backbone interact. energy: -0.108
local terms energy: -32.718275
where:
bonds (distance) C4'-P energy: -3.934
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -8.160
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: 5.900
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: 7
=====================================
Write number: 252
Temperature: 2.466667
Total energy: -35.726341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.726341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.726341 (E_RNA)
where:
Base-Base interactions energy: -4.751
where: short stacking energy: -5.293
Base-Backbone interact. energy: 1.841
local terms energy: -32.816434
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: 6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 252
Temperature: 2.483333
Total energy: -38.267753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.267753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.267753 (E_RNA)
where:
Base-Base interactions energy: -5.771
where: short stacking energy: -4.424
Base-Backbone interact. energy: 2.608
local terms energy: -35.104666
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -7.717
flat angles P-C4'-P energy: -6.915
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: 10, replica: 9
=====================================
Write number: 252
Temperature: 2.500000
Total energy: -33.499169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.499169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.499169 (E_RNA)
where:
Base-Base interactions energy: -9.566
where: short stacking energy: -7.726
Base-Backbone interact. energy: 1.161
local terms energy: -25.093802
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: 5.496
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: 2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 253
Temperature: 2.350000
Total energy: -43.391246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.391246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.391246 (E_RNA)
where:
Base-Base interactions energy: -9.783
where: short stacking energy: -10.335
Base-Backbone interact. energy: -0.125
local terms energy: -33.483591
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -0.523
tors. eta vs tors. theta energy: 1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 253
Temperature: 2.366667
Total energy: -38.357066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.357066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.357066 (E_RNA)
where:
Base-Base interactions energy: -8.363
where: short stacking energy: -7.436
Base-Backbone interact. energy: -0.097
local terms energy: -29.897068
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -7.818
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: 6.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 253
Temperature: 2.383333
Total energy: -32.927557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.927557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.927557 (E_RNA)
where:
Base-Base interactions energy: -1.085
where: short stacking energy: -0.845
Base-Backbone interact. energy: 0.070
local terms energy: -31.912595
where:
bonds (distance) C4'-P energy: -8.448
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -7.900
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: 9.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 253
Temperature: 2.400000
Total energy: -35.119180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.119180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.119180 (E_RNA)
where:
Base-Base interactions energy: -9.820
where: short stacking energy: -9.820
Base-Backbone interact. energy: -0.797
local terms energy: -24.502087
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -7.588
flat angles C4'-P-C4' energy: -6.588
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: 6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 253
Temperature: 2.416667
Total energy: -41.919736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.919736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.919736 (E_RNA)
where:
Base-Base interactions energy: -1.820
where: short stacking energy: -1.820
Base-Backbone interact. energy: 2.026
local terms energy: -42.126056
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -2.404
tors. eta vs tors. theta energy: 6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 2.433333
Total energy: -37.449280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.449280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.449280 (E_RNA)
where:
Base-Base interactions energy: -12.608
where: short stacking energy: -11.197
Base-Backbone interact. energy: -0.182
local terms energy: -24.659336
where:
bonds (distance) C4'-P energy: -8.646
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -3.661
flat angles P-C4'-P energy: -3.965
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: 7, replica: 6
=====================================
Write number: 253
Temperature: 2.450000
Total energy: -37.585489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.585489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.585489 (E_RNA)
where:
Base-Base interactions energy: -7.010
where: short stacking energy: -4.256
Base-Backbone interact. energy: -0.223
local terms energy: -30.352253
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -7.622
flat angles P-C4'-P energy: -2.260
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: 8, replica: 1
=====================================
Write number: 253
Temperature: 2.466667
Total energy: -39.720903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.720903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.720903 (E_RNA)
where:
Base-Base interactions energy: -5.691
where: short stacking energy: -5.487
Base-Backbone interact. energy: 0.234
local terms energy: -34.264771
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -5.959
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: 8.720
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: 7
=====================================
Write number: 253
Temperature: 2.483333
Total energy: -35.166233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.166233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.166233 (E_RNA)
where:
Base-Base interactions energy: -2.534
where: short stacking energy: -1.324
Base-Backbone interact. energy: -0.123
local terms energy: -32.508840
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -5.040
flat angles P-C4'-P energy: -2.894
tors. eta vs tors. theta energy: 2.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 2.500000
Total energy: -33.888650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.888650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.888650 (E_RNA)
where:
Base-Base interactions energy: -11.126
where: short stacking energy: -10.560
Base-Backbone interact. energy: -0.160
local terms energy: -22.602197
where:
bonds (distance) C4'-P energy: -7.587
bonds (distance) P-C4' energy: -7.543
flat angles C4'-P-C4' energy: -5.024
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: 5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 2.350000
Total energy: -33.500467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.500467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.500467 (E_RNA)
where:
Base-Base interactions energy: -3.514
where: short stacking energy: -3.151
Base-Backbone interact. energy: -0.235
local terms energy: -29.751769
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -8.207
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: 8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 254
Temperature: 2.366667
Total energy: -41.579915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.579915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.579915 (E_RNA)
where:
Base-Base interactions energy: -8.036
where: short stacking energy: -6.214
Base-Backbone interact. energy: 0.831
local terms energy: -34.375042
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -4.511
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: 3, replica: 10
=====================================
Write number: 254
Temperature: 2.383333
Total energy: -39.088927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.088927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.088927 (E_RNA)
where:
Base-Base interactions energy: -6.531
where: short stacking energy: -5.530
Base-Backbone interact. energy: 0.364
local terms energy: -32.921974
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -4.921
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: 3.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 254
Temperature: 2.400000
Total energy: -38.094538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.094538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.094538 (E_RNA)
where:
Base-Base interactions energy: -9.780
where: short stacking energy: -7.217
Base-Backbone interact. energy: -0.194
local terms energy: -28.120954
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -5.379
flat angles P-C4'-P energy: -3.655
tors. eta vs tors. theta energy: 4.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 254
Temperature: 2.416667
Total energy: -36.549150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.549150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.549150 (E_RNA)
where:
Base-Base interactions energy: -14.575
where: short stacking energy: -14.297
Base-Backbone interact. energy: 1.900
local terms energy: -23.874431
where:
bonds (distance) C4'-P energy: -9.105
bonds (distance) P-C4' energy: -9.944
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -0.841
tors. eta vs tors. theta energy: 5.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 254
Temperature: 2.433333
Total energy: -41.396543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.396543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.396543 (E_RNA)
where:
Base-Base interactions energy: -10.718
where: short stacking energy: -10.422
Base-Backbone interact. energy: -0.419
local terms energy: -30.259433
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -3.337
tors. eta vs tors. theta energy: 10.096
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: 1
=====================================
Write number: 254
Temperature: 2.450000
Total energy: -33.198788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.198788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.198788 (E_RNA)
where:
Base-Base interactions energy: -3.029
where: short stacking energy: -0.828
Base-Backbone interact. energy: -0.475
local terms energy: -29.694492
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -8.550
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: 11.304
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: 6
=====================================
Write number: 254
Temperature: 2.466667
Total energy: -33.556402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.556402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.556402 (E_RNA)
where:
Base-Base interactions energy: -3.624
where: short stacking energy: -1.365
Base-Backbone interact. energy: -0.273
local terms energy: -29.659631
where:
bonds (distance) C4'-P energy: -5.033
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -2.099
tors. eta vs tors. theta energy: 7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 254
Temperature: 2.483333
Total energy: -38.972596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.972596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.972596 (E_RNA)
where:
Base-Base interactions energy: -18.109
where: short stacking energy: -15.992
Base-Backbone interact. energy: -1.823
local terms energy: -19.040303
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -1.752
flat angles P-C4'-P energy: 0.149
tors. eta vs tors. theta energy: 6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 2.500000
Total energy: -34.983114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.983114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.983114 (E_RNA)
where:
Base-Base interactions energy: -8.361
where: short stacking energy: -6.804
Base-Backbone interact. energy: 1.040
local terms energy: -27.662148
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -8.072
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -4.454
tors. eta vs tors. theta energy: 9.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 255
Temperature: 2.350000
Total energy: -51.384892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.384892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.384892 (E_RNA)
where:
Base-Base interactions energy: -14.595
where: short stacking energy: -14.576
Base-Backbone interact. energy: -0.497
local terms energy: -36.292814
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -4.069
flat angles P-C4'-P energy: -4.323
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: 2, replica: 10
=====================================
Write number: 255
Temperature: 2.366667
Total energy: -49.749865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.749865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.749865 (E_RNA)
where:
Base-Base interactions energy: -12.397
where: short stacking energy: -11.042
Base-Backbone interact. energy: -0.215
local terms energy: -37.137743
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -6.136
flat angles P-C4'-P energy: -4.355
tors. eta vs tors. theta energy: 4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 255
Temperature: 2.383333
Total energy: -37.825324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.825324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.825324 (E_RNA)
where:
Base-Base interactions energy: -15.192
where: short stacking energy: -13.032
Base-Backbone interact. energy: -0.353
local terms energy: -22.279740
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -3.753
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: 0.677
tors. eta vs tors. theta energy: 6.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 255
Temperature: 2.400000
Total energy: -38.775078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.775078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.775078 (E_RNA)
where:
Base-Base interactions energy: -7.774
where: short stacking energy: -7.774
Base-Backbone interact. energy: -0.205
local terms energy: -30.796318
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -8.340
flat angles C4'-P-C4' energy: 0.912
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: 2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 255
Temperature: 2.416667
Total energy: -37.884524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.884524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.884524 (E_RNA)
where:
Base-Base interactions energy: -3.972
where: short stacking energy: -3.972
Base-Backbone interact. energy: -0.279
local terms energy: -33.633380
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: 6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 255
Temperature: 2.433333
Total energy: -42.594176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.594176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.594176 (E_RNA)
where:
Base-Base interactions energy: -6.113
where: short stacking energy: -5.999
Base-Backbone interact. energy: -0.060
local terms energy: -36.420994
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: 9.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 255
Temperature: 2.450000
Total energy: -36.172091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.172091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.172091 (E_RNA)
where:
Base-Base interactions energy: -8.903
where: short stacking energy: -7.608
Base-Backbone interact. energy: -0.285
local terms energy: -26.984136
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -8.574
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: 8.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 255
Temperature: 2.466667
Total energy: -36.332960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.332960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.332960 (E_RNA)
where:
Base-Base interactions energy: -9.198
where: short stacking energy: -9.124
Base-Backbone interact. energy: 1.212
local terms energy: -28.346920
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -3.647
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: 6.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 2.483333
Total energy: -39.649461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.649461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.649461 (E_RNA)
where:
Base-Base interactions energy: -10.914
where: short stacking energy: -10.163
Base-Backbone interact. energy: 2.907
local terms energy: -31.641922
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -6.232
flat angles P-C4'-P energy: -4.428
tors. eta vs tors. theta energy: 5.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 2.500000
Total energy: -40.344566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.344566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.344566 (E_RNA)
where:
Base-Base interactions energy: -1.348
where: short stacking energy: -0.849
Base-Backbone interact. energy: -0.066
local terms energy: -38.929714
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -5.169
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: 1, replica: 10
=====================================
Write number: 256
Temperature: 2.350000
Total energy: -38.988002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.988002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.988002 (E_RNA)
where:
Base-Base interactions energy: -11.956
where: short stacking energy: -10.616
Base-Backbone interact. energy: -0.553
local terms energy: -26.479329
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -6.238
flat angles C4'-P-C4' energy: -6.784
flat angles P-C4'-P energy: -5.682
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: 4
=====================================
Write number: 256
Temperature: 2.366667
Total energy: -40.510781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.510781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.510781 (E_RNA)
where:
Base-Base interactions energy: -4.618
where: short stacking energy: -4.380
Base-Backbone interact. energy: 0.970
local terms energy: -36.863684
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -7.133
flat angles P-C4'-P energy: 1.857
tors. eta vs tors. theta energy: 0.577
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: 3, replica: 8
=====================================
Write number: 256
Temperature: 2.383333
Total energy: -38.509590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.509590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.509590 (E_RNA)
where:
Base-Base interactions energy: -16.355
where: short stacking energy: -15.222
Base-Backbone interact. energy: -0.771
local terms energy: -21.383521
where:
bonds (distance) C4'-P energy: -8.069
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -9.428
flat angles P-C4'-P energy: 0.482
tors. eta vs tors. theta energy: 8.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 256
Temperature: 2.400000
Total energy: -37.506940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.506940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.506940 (E_RNA)
where:
Base-Base interactions energy: -1.468
where: short stacking energy: -1.468
Base-Backbone interact. energy: -0.034
local terms energy: -36.005625
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -8.052
flat angles P-C4'-P energy: -4.370
tors. eta vs tors. theta energy: 4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 256
Temperature: 2.416667
Total energy: -34.183716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.183716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.183716 (E_RNA)
where:
Base-Base interactions energy: -7.471
where: short stacking energy: -6.919
Base-Backbone interact. energy: 1.560
local terms energy: -28.272961
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -8.179
flat angles P-C4'-P energy: -0.993
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: 6, replica: 3
=====================================
Write number: 256
Temperature: 2.433333
Total energy: -46.102919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.102919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.102919 (E_RNA)
where:
Base-Base interactions energy: -7.099
where: short stacking energy: -7.028
Base-Backbone interact. energy: -0.592
local terms energy: -38.412220
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -0.355
tors. eta vs tors. theta energy: 2.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 256
Temperature: 2.450000
Total energy: -35.898686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.898686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.898686 (E_RNA)
where:
Base-Base interactions energy: -8.316
where: short stacking energy: -7.556
Base-Backbone interact. energy: -0.411
local terms energy: -27.172084
where:
bonds (distance) C4'-P energy: -6.403
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -7.219
flat angles P-C4'-P energy: -0.201
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: 8, replica: 2
=====================================
Write number: 256
Temperature: 2.466667
Total energy: -31.361608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.361608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.361608 (E_RNA)
where:
Base-Base interactions energy: -4.502
where: short stacking energy: -4.502
Base-Backbone interact. energy: -0.655
local terms energy: -26.204235
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -5.823
flat angles P-C4'-P energy: -3.393
tors. eta vs tors. theta energy: 9.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 256
Temperature: 2.483333
Total energy: -33.187215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.187215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.187215 (E_RNA)
where:
Base-Base interactions energy: -8.913
where: short stacking energy: -7.838
Base-Backbone interact. energy: 1.295
local terms energy: -25.568436
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: 1.910
tors. eta vs tors. theta energy: 5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 256
Temperature: 2.500000
Total energy: -32.988231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.988231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.988231 (E_RNA)
where:
Base-Base interactions energy: -0.787
where: short stacking energy: -1.058
Base-Backbone interact. energy: -0.394
local terms energy: -31.807671
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: 9.370
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: 257
Temperature: 2.350000
Total energy: -36.652409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.652409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.652409 (E_RNA)
where:
Base-Base interactions energy: -6.087
where: short stacking energy: -5.842
Base-Backbone interact. energy: 1.312
local terms energy: -31.877593
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -6.604
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -5.102
tors. eta vs tors. theta energy: 10.041
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: 8
=====================================
Write number: 257
Temperature: 2.366667
Total energy: -43.245683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.245683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.245683 (E_RNA)
where:
Base-Base interactions energy: -5.013
where: short stacking energy: -3.795
Base-Backbone interact. energy: -0.677
local terms energy: -37.555549
where:
bonds (distance) C4'-P energy: -19.318
bonds (distance) P-C4' energy: -6.969
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -3.990
tors. eta vs tors. theta energy: 7.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 257
Temperature: 2.383333
Total energy: -40.437203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.437203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.437203 (E_RNA)
where:
Base-Base interactions energy: -6.813
where: short stacking energy: -4.430
Base-Backbone interact. energy: -0.225
local terms energy: -33.399407
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -2.091
tors. eta vs tors. theta energy: 8.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 257
Temperature: 2.400000
Total energy: -38.689850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.689850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.689850 (E_RNA)
where:
Base-Base interactions energy: -14.802
where: short stacking energy: -5.251
Base-Backbone interact. energy: 6.732
local terms energy: -30.620242
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: 7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 257
Temperature: 2.416667
Total energy: -37.998527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.998527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.998527 (E_RNA)
where:
Base-Base interactions energy: -5.017
where: short stacking energy: -4.379
Base-Backbone interact. energy: -0.137
local terms energy: -32.844380
where:
bonds (distance) C4'-P energy: -4.978
bonds (distance) P-C4' energy: -11.559
flat angles C4'-P-C4' energy: -9.350
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: 1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 257
Temperature: 2.433333
Total energy: -38.170590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.170590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.170590 (E_RNA)
where:
Base-Base interactions energy: -1.875
where: short stacking energy: -0.366
Base-Backbone interact. energy: -0.127
local terms energy: -36.168551
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -8.389
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: 8.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 257
Temperature: 2.450000
Total energy: -32.034948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.034948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.034948 (E_RNA)
where:
Base-Base interactions energy: -1.975
where: short stacking energy: -1.918
Base-Backbone interact. energy: -0.384
local terms energy: -29.676046
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -3.860
tors. eta vs tors. theta energy: 8.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 257
Temperature: 2.466667
Total energy: -41.828097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.828097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.828097 (E_RNA)
where:
Base-Base interactions energy: -10.314
where: short stacking energy: -7.765
Base-Backbone interact. energy: -0.233
local terms energy: -31.280960
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -9.804
flat angles P-C4'-P energy: -3.708
tors. eta vs tors. theta energy: 9.576
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: 9, replica: 2
=====================================
Write number: 257
Temperature: 2.483333
Total energy: -35.441114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.441114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.441114 (E_RNA)
where:
Base-Base interactions energy: -11.704
where: short stacking energy: -9.474
Base-Backbone interact. energy: -0.377
local terms energy: -23.359611
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -9.540
flat angles C4'-P-C4' energy: -3.843
flat angles P-C4'-P energy: -3.747
tors. eta vs tors. theta energy: 9.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 257
Temperature: 2.500000
Total energy: -38.339319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.339319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.339319 (E_RNA)
where:
Base-Base interactions energy: -17.661
where: short stacking energy: -15.585
Base-Backbone interact. energy: -0.102
local terms energy: -20.576080
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -6.655
flat angles P-C4'-P energy: 2.025
tors. eta vs tors. theta energy: 8.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 258
Temperature: 2.350000
Total energy: -43.820165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.820165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.820165 (E_RNA)
where:
Base-Base interactions energy: -7.611
where: short stacking energy: -6.618
Base-Backbone interact. energy: 0.469
local terms energy: -36.677625
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -0.674
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: 2, replica: 10
=====================================
Write number: 258
Temperature: 2.366667
Total energy: -39.502822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.502822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.502822 (E_RNA)
where:
Base-Base interactions energy: -11.193
where: short stacking energy: -10.334
Base-Backbone interact. energy: -0.309
local terms energy: -28.001429
where:
bonds (distance) C4'-P energy: -9.144
bonds (distance) P-C4' energy: -8.850
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -0.032
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: 3, replica: 1
=====================================
Write number: 258
Temperature: 2.383333
Total energy: -35.443596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.443596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.443596 (E_RNA)
where:
Base-Base interactions energy: -10.398
where: short stacking energy: -6.262
Base-Backbone interact. energy: 6.879
local terms energy: -31.924627
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -1.261
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: 7.123
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: 4
=====================================
Write number: 258
Temperature: 2.400000
Total energy: -37.551962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.551962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.551962 (E_RNA)
where:
Base-Base interactions energy: -11.001
where: short stacking energy: -8.781
Base-Backbone interact. energy: 1.165
local terms energy: -27.716108
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -7.382
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: 8.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 2.416667
Total energy: -34.794245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.794245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.794245 (E_RNA)
where:
Base-Base interactions energy: -3.904
where: short stacking energy: -3.533
Base-Backbone interact. energy: -0.209
local terms energy: -30.681166
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -3.003
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: 8.491
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: 5
=====================================
Write number: 258
Temperature: 2.433333
Total energy: -38.896365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.896365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.896365 (E_RNA)
where:
Base-Base interactions energy: -6.914
where: short stacking energy: -5.967
Base-Backbone interact. energy: -0.574
local terms energy: -31.409022
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -3.032
tors. eta vs tors. theta energy: 8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 258
Temperature: 2.450000
Total energy: -34.085885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.085885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.085885 (E_RNA)
where:
Base-Base interactions energy: -1.535
where: short stacking energy: -4.189
Base-Backbone interact. energy: 0.751
local terms energy: -33.302584
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -3.332
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: 7.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 258
Temperature: 2.466667
Total energy: -36.257035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.257035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.257035 (E_RNA)
where:
Base-Base interactions energy: -8.046
where: short stacking energy: -7.982
Base-Backbone interact. energy: 1.778
local terms energy: -29.988832
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -8.848
flat angles P-C4'-P energy: 4.778
tors. eta vs tors. theta energy: 6.335
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: 258
Temperature: 2.483333
Total energy: -33.931304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.931304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.931304 (E_RNA)
where:
Base-Base interactions energy: -9.917
where: short stacking energy: -8.232
Base-Backbone interact. energy: 0.303
local terms energy: -24.317861
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -4.259
flat angles P-C4'-P energy: -3.755
tors. eta vs tors. theta energy: 8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 258
Temperature: 2.500000
Total energy: -33.009472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.009472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.009472 (E_RNA)
where:
Base-Base interactions energy: -7.634
where: short stacking energy: -4.414
Base-Backbone interact. energy: -0.349
local terms energy: -25.026585
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -6.941
flat angles P-C4'-P energy: -2.722
tors. eta vs tors. theta energy: 5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 259
Temperature: 2.350000
Total energy: -36.638048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.638048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.638048 (E_RNA)
where:
Base-Base interactions energy: -3.177
where: short stacking energy: -2.699
Base-Backbone interact. energy: 0.526
local terms energy: -33.987710
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: 0.653
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: 2, replica: 1
=====================================
Write number: 259
Temperature: 2.366667
Total energy: -37.905500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.905500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.905500 (E_RNA)
where:
Base-Base interactions energy: -3.762
where: short stacking energy: -3.762
Base-Backbone interact. energy: 1.537
local terms energy: -35.679973
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -1.118
tors. eta vs tors. theta energy: 7.187
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: 259
Temperature: 2.383333
Total energy: -40.552019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.552019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.552019 (E_RNA)
where:
Base-Base interactions energy: -8.913
where: short stacking energy: -8.913
Base-Backbone interact. energy: -0.126
local terms energy: -31.512515
where:
bonds (distance) C4'-P energy: -6.717
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -3.637
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: 4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 2.400000
Total energy: -39.171668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.171668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.171668 (E_RNA)
where:
Base-Base interactions energy: -3.115
where: short stacking energy: -0.224
Base-Backbone interact. energy: -0.289
local terms energy: -35.767921
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: 14.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 259
Temperature: 2.416667
Total energy: -34.076006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.076006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.076006 (E_RNA)
where:
Base-Base interactions energy: -4.834
where: short stacking energy: -3.756
Base-Backbone interact. energy: 2.034
local terms energy: -31.275483
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -9.689
flat angles P-C4'-P energy: -0.689
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: 6, replica: 7
=====================================
Write number: 259
Temperature: 2.433333
Total energy: -46.148984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.148984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.148984 (E_RNA)
where:
Base-Base interactions energy: -3.246
where: short stacking energy: -2.586
Base-Backbone interact. energy: 0.432
local terms energy: -43.334469
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -10.578
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: 7, replica: 5
=====================================
Write number: 259
Temperature: 2.450000
Total energy: -42.528246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.528246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.528246 (E_RNA)
where:
Base-Base interactions energy: -11.108
where: short stacking energy: -10.573
Base-Backbone interact. energy: -0.204
local terms energy: -31.216210
where:
bonds (distance) C4'-P energy: -7.649
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -0.416
flat angles P-C4'-P energy: -6.890
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: 8, replica: 6
=====================================
Write number: 259
Temperature: 2.466667
Total energy: -38.785626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.785626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.785626 (E_RNA)
where:
Base-Base interactions energy: -8.241
where: short stacking energy: -4.593
Base-Backbone interact. energy: -0.134
local terms energy: -30.410511
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -9.361
flat angles C4'-P-C4' energy: -8.749
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: 8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 259
Temperature: 2.483333
Total energy: -46.196976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.196976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.196976 (E_RNA)
where:
Base-Base interactions energy: -9.749
where: short stacking energy: -9.465
Base-Backbone interact. energy: -0.231
local terms energy: -36.216327
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -7.260
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: 0.204
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: 2
=====================================
Write number: 259
Temperature: 2.500000
Total energy: -33.944588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.944588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.944588 (E_RNA)
where:
Base-Base interactions energy: 0.446
where: short stacking energy: 2.106
Base-Backbone interact. energy: -0.644
local terms energy: -33.746754
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -0.758
tors. eta vs tors. theta energy: 11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 260
Temperature: 2.350000
Total energy: -42.680762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.680762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.680762 (E_RNA)
where:
Base-Base interactions energy: -12.536
where: short stacking energy: -12.294
Base-Backbone interact. energy: -0.246
local terms energy: -29.898853
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: 0.835
tors. eta vs tors. theta energy: 5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 2.366667
Total energy: -30.997063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.997063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.997063 (E_RNA)
where:
Base-Base interactions energy: -6.842
where: short stacking energy: -0.132
Base-Backbone interact. energy: 1.228
local terms energy: -25.383189
where:
bonds (distance) C4'-P energy: -3.853
bonds (distance) P-C4' energy: -8.234
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: 10.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 260
Temperature: 2.383333
Total energy: -39.826226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.826226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.826226 (E_RNA)
where:
Base-Base interactions energy: -17.999
where: short stacking energy: -17.749
Base-Backbone interact. energy: -0.246
local terms energy: -21.580854
where:
bonds (distance) C4'-P energy: -6.205
bonds (distance) P-C4' energy: -8.427
flat angles C4'-P-C4' energy: -8.839
flat angles P-C4'-P energy: 0.281
tors. eta vs tors. theta energy: 1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 260
Temperature: 2.400000
Total energy: -40.252565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.252565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.252565 (E_RNA)
where:
Base-Base interactions energy: -7.195
where: short stacking energy: -6.469
Base-Backbone interact. energy: 0.027
local terms energy: -33.084445
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: 7.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 260
Temperature: 2.416667
Total energy: -39.615771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.615771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.615771 (E_RNA)
where:
Base-Base interactions energy: -9.399
where: short stacking energy: -8.625
Base-Backbone interact. energy: -0.256
local terms energy: -29.960561
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: 7.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 260
Temperature: 2.433333
Total energy: -36.086299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.086299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.086299 (E_RNA)
where:
Base-Base interactions energy: -5.618
where: short stacking energy: -1.115
Base-Backbone interact. energy: 2.352
local terms energy: -32.820135
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -3.032
tors. eta vs tors. theta energy: 11.409
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: 6
=====================================
Write number: 260
Temperature: 2.450000
Total energy: -32.785465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.785465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.785465 (E_RNA)
where:
Base-Base interactions energy: -2.395
where: short stacking energy: 0.000
Base-Backbone interact. energy: 0.728
local terms energy: -31.117919
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -6.674
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: 9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 2.466667
Total energy: -35.183253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.183253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.183253 (E_RNA)
where:
Base-Base interactions energy: -7.801
where: short stacking energy: -7.801
Base-Backbone interact. energy: -0.135
local terms energy: -27.246721
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -5.051
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: 5.192
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: 2
=====================================
Write number: 260
Temperature: 2.483333
Total energy: -37.173867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.173867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.173867 (E_RNA)
where:
Base-Base interactions energy: -6.191
where: short stacking energy: -5.894
Base-Backbone interact. energy: 0.388
local terms energy: -31.370666
where:
bonds (distance) C4'-P energy: -9.650
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -4.422
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: 10, replica: 9
=====================================
Write number: 260
Temperature: 2.500000
Total energy: -36.536019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.536019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.536019 (E_RNA)
where:
Base-Base interactions energy: -4.662
where: short stacking energy: -4.662
Base-Backbone interact. energy: -0.552
local terms energy: -31.322494
where:
bonds (distance) C4'-P energy: -8.870
bonds (distance) P-C4' energy: -7.756
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -4.816
tors. eta vs tors. theta energy: 7.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 261
Temperature: 2.350000
Total energy: -38.383793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.383793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.383793 (E_RNA)
where:
Base-Base interactions energy: -2.633
where: short stacking energy: -2.380
Base-Backbone interact. energy: -0.261
local terms energy: -35.489482
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -3.275
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: 2, replica: 3
=====================================
Write number: 261
Temperature: 2.366667
Total energy: -35.599194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.599194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.599194 (E_RNA)
where:
Base-Base interactions energy: -10.674
where: short stacking energy: -8.460
Base-Backbone interact. energy: -0.207
local terms energy: -24.717777
where:
bonds (distance) C4'-P energy: -5.900
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -4.731
tors. eta vs tors. theta energy: 10.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 261
Temperature: 2.383333
Total energy: -36.660089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.660089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.660089 (E_RNA)
where:
Base-Base interactions energy: -12.494
where: short stacking energy: -7.620
Base-Backbone interact. energy: -0.526
local terms energy: -23.640437
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -5.848
flat angles C4'-P-C4' energy: -3.919
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: 6.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 261
Temperature: 2.400000
Total energy: -39.344034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.344034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.344034 (E_RNA)
where:
Base-Base interactions energy: -8.118
where: short stacking energy: -7.839
Base-Backbone interact. energy: -0.515
local terms energy: -30.711172
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -9.086
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: 0.586
tors. eta vs tors. theta energy: 5.606
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: 10
=====================================
Write number: 261
Temperature: 2.416667
Total energy: -45.064890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.064890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.064890 (E_RNA)
where:
Base-Base interactions energy: -7.599
where: short stacking energy: -5.898
Base-Backbone interact. energy: -0.284
local terms energy: -37.182021
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -2.822
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: 6
=====================================
Write number: 261
Temperature: 2.433333
Total energy: -42.800480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.800480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.800480 (E_RNA)
where:
Base-Base interactions energy: -6.793
where: short stacking energy: -5.198
Base-Backbone interact. energy: -0.073
local terms energy: -35.934724
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -10.807
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: 6.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 261
Temperature: 2.450000
Total energy: -34.593031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.593031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.593031 (E_RNA)
where:
Base-Base interactions energy: -4.677
where: short stacking energy: -4.677
Base-Backbone interact. energy: -0.258
local terms energy: -29.657665
where:
bonds (distance) C4'-P energy: -5.301
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -9.124
flat angles P-C4'-P energy: -10.396
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: 8, replica: 2
=====================================
Write number: 261
Temperature: 2.466667
Total energy: -35.502791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.502791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.502791 (E_RNA)
where:
Base-Base interactions energy: -4.355
where: short stacking energy: -2.945
Base-Backbone interact. energy: 1.427
local terms energy: -32.574166
where:
bonds (distance) C4'-P energy: -8.871
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -3.910
flat angles P-C4'-P energy: -10.257
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: 9, replica: 5
=====================================
Write number: 261
Temperature: 2.483333
Total energy: -44.953343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.953343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.953343 (E_RNA)
where:
Base-Base interactions energy: -18.881
where: short stacking energy: -12.397
Base-Backbone interact. energy: -0.360
local terms energy: -25.711928
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -2.422
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: 8.774
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: 9
=====================================
Write number: 261
Temperature: 2.500000
Total energy: -32.948494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.948494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.948494 (E_RNA)
where:
Base-Base interactions energy: -6.498
where: short stacking energy: -4.831
Base-Backbone interact. energy: -0.391
local terms energy: -26.059721
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: 3.430
tors. eta vs tors. theta energy: 8.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 262
Temperature: 2.350000
Total energy: -38.322726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.322726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.322726 (E_RNA)
where:
Base-Base interactions energy: -6.312
where: short stacking energy: -6.312
Base-Backbone interact. energy: -0.003
local terms energy: -32.007384
where:
bonds (distance) C4'-P energy: -5.550
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -6.706
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: 4.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 262
Temperature: 2.366667
Total energy: -33.964224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.964224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.964224 (E_RNA)
where:
Base-Base interactions energy: -7.708
where: short stacking energy: -4.402
Base-Backbone interact. energy: -0.285
local terms energy: -25.971417
where:
bonds (distance) C4'-P energy: -9.171
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -3.637
flat angles P-C4'-P energy: -1.826
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: 3, replica: 7
=====================================
Write number: 262
Temperature: 2.383333
Total energy: -38.740772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.740772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.740772 (E_RNA)
where:
Base-Base interactions energy: -2.659
where: short stacking energy: -2.659
Base-Backbone interact. energy: -0.134
local terms energy: -35.947754
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -4.961
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: 3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 2.400000
Total energy: -32.206344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.206344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.206344 (E_RNA)
where:
Base-Base interactions energy: -9.737
where: short stacking energy: -6.924
Base-Backbone interact. energy: 4.122
local terms energy: -26.591742
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -8.369
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -0.272
tors. eta vs tors. theta energy: 7.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 262
Temperature: 2.416667
Total energy: -33.709408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.709408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.709408 (E_RNA)
where:
Base-Base interactions energy: -9.287
where: short stacking energy: -9.287
Base-Backbone interact. energy: 0.117
local terms energy: -24.539848
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -10.083
flat angles C4'-P-C4' energy: -0.130
flat angles P-C4'-P energy: -5.702
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: 6, replica: 10
=====================================
Write number: 262
Temperature: 2.433333
Total energy: -39.085376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.085376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.085376 (E_RNA)
where:
Base-Base interactions energy: -5.331
where: short stacking energy: -3.807
Base-Backbone interact. energy: 0.207
local terms energy: -33.962078
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -8.220
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: 7.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 262
Temperature: 2.450000
Total energy: -42.036319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.036319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.036319 (E_RNA)
where:
Base-Base interactions energy: -11.156
where: short stacking energy: -10.617
Base-Backbone interact. energy: -0.099
local terms energy: -30.781165
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -8.306
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -7.240
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: 8, replica: 4
=====================================
Write number: 262
Temperature: 2.466667
Total energy: -37.119064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.119064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.119064 (E_RNA)
where:
Base-Base interactions energy: -10.058
where: short stacking energy: -9.410
Base-Backbone interact. energy: -0.190
local terms energy: -26.871071
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -2.643
flat angles P-C4'-P energy: 0.569
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: 9
=====================================
Write number: 262
Temperature: 2.483333
Total energy: -38.821391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.821391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.821391 (E_RNA)
where:
Base-Base interactions energy: -6.315
where: short stacking energy: -5.133
Base-Backbone interact. energy: -0.048
local terms energy: -32.458294
where:
bonds (distance) C4'-P energy: -6.302
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: 5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 262
Temperature: 2.500000
Total energy: -34.464700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.464700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.464700 (E_RNA)
where:
Base-Base interactions energy: -2.736
where: short stacking energy: -2.736
Base-Backbone interact. energy: -0.503
local terms energy: -31.225931
where:
bonds (distance) C4'-P energy: -7.673
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -2.386
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: 4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 263
Temperature: 2.350000
Total energy: -43.412897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.412897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.412897 (E_RNA)
where:
Base-Base interactions energy: -5.565
where: short stacking energy: -4.853
Base-Backbone interact. energy: 0.794
local terms energy: -38.641922
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -3.428
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: 6.990
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: 7
=====================================
Write number: 263
Temperature: 2.366667
Total energy: -40.598471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.598471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.598471 (E_RNA)
where:
Base-Base interactions energy: -9.823
where: short stacking energy: -9.823
Base-Backbone interact. energy: -0.227
local terms energy: -30.548802
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -7.245
flat angles P-C4'-P energy: -2.120
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: 3, replica: 1
=====================================
Write number: 263
Temperature: 2.383333
Total energy: -52.140620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.140620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.140620 (E_RNA)
where:
Base-Base interactions energy: -8.642
where: short stacking energy: -3.701
Base-Backbone interact. energy: -0.271
local terms energy: -43.227021
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -1.995
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: 4, replica: 6
=====================================
Write number: 263
Temperature: 2.400000
Total energy: -39.625203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.625203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.625203 (E_RNA)
where:
Base-Base interactions energy: -10.052
where: short stacking energy: -8.387
Base-Backbone interact. energy: -0.453
local terms energy: -29.120314
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -6.045
flat angles C4'-P-C4' energy: -5.875
flat angles P-C4'-P energy: -4.383
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: 5, replica: 8
=====================================
Write number: 263
Temperature: 2.416667
Total energy: -36.503141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.503141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.503141 (E_RNA)
where:
Base-Base interactions energy: -1.687
where: short stacking energy: -1.584
Base-Backbone interact. energy: -0.904
local terms energy: -33.911334
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -6.625
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: 8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 263
Temperature: 2.433333
Total energy: -37.192513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.192513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.192513 (E_RNA)
where:
Base-Base interactions energy: -9.375
where: short stacking energy: -9.856
Base-Backbone interact. energy: -0.130
local terms energy: -27.687601
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -5.753
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: 7.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 263
Temperature: 2.450000
Total energy: -46.130961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.130961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.130961 (E_RNA)
where:
Base-Base interactions energy: -18.197
where: short stacking energy: -16.622
Base-Backbone interact. energy: -0.086
local terms energy: -27.847942
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -4.053
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -6.094
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: 8, replica: 9
=====================================
Write number: 263
Temperature: 2.466667
Total energy: -34.030954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.030954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.030954 (E_RNA)
where:
Base-Base interactions energy: -6.086
where: short stacking energy: -5.127
Base-Backbone interact. energy: -0.342
local terms energy: -27.602606
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -8.652
flat angles P-C4'-P energy: 0.287
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: 9, replica: 4
=====================================
Write number: 263
Temperature: 2.483333
Total energy: -36.874502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.874502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.874502 (E_RNA)
where:
Base-Base interactions energy: -8.363
where: short stacking energy: -5.685
Base-Backbone interact. energy: -0.769
local terms energy: -27.743346
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -0.283
flat angles P-C4'-P energy: -4.599
tors. eta vs tors. theta energy: 10.518
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: 10, replica: 5
=====================================
Write number: 263
Temperature: 2.500000
Total energy: -31.968973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.968973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.968973 (E_RNA)
where:
Base-Base interactions energy: -5.732
where: short stacking energy: -4.819
Base-Backbone interact. energy: -0.166
local terms energy: -26.070525
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -10.306
flat angles C4'-P-C4' energy: -1.914
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: 8.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 264
Temperature: 2.350000
Total energy: -43.851128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.851128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.851128 (E_RNA)
where:
Base-Base interactions energy: -5.334
where: short stacking energy: -5.084
Base-Backbone interact. energy: -0.099
local terms energy: -38.417893
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -8.880
flat angles P-C4'-P energy: -4.841
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: 2, replica: 3
=====================================
Write number: 264
Temperature: 2.366667
Total energy: -43.675263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.675263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.675263 (E_RNA)
where:
Base-Base interactions energy: -7.890
where: short stacking energy: -7.585
Base-Backbone interact. energy: 2.949
local terms energy: -38.735088
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -5.239
flat angles P-C4'-P energy: -6.198
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: 3, replica: 6
=====================================
Write number: 264
Temperature: 2.383333
Total energy: -41.508955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.508955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.508955 (E_RNA)
where:
Base-Base interactions energy: 0.205
where: short stacking energy: -0.063
Base-Backbone interact. energy: -0.440
local terms energy: -41.274190
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -5.844
tors. eta vs tors. theta energy: 6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 264
Temperature: 2.400000
Total energy: -34.920097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.920097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.920097 (E_RNA)
where:
Base-Base interactions energy: -5.427
where: short stacking energy: -4.606
Base-Backbone interact. energy: -0.262
local terms energy: -29.230601
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -5.621
flat angles C4'-P-C4' energy: -4.749
flat angles P-C4'-P energy: -9.992
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: 5, replica: 2
=====================================
Write number: 264
Temperature: 2.416667
Total energy: -36.159582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.159582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.159582 (E_RNA)
where:
Base-Base interactions energy: -3.147
where: short stacking energy: -5.547
Base-Backbone interact. energy: -0.445
local terms energy: -32.567980
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -6.113
flat angles P-C4'-P energy: -5.834
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: 6, replica: 8
=====================================
Write number: 264
Temperature: 2.433333
Total energy: -41.305733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.305733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.305733 (E_RNA)
where:
Base-Base interactions energy: -1.922
where: short stacking energy: -5.422
Base-Backbone interact. energy: -0.268
local terms energy: -39.115237
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -7.648
flat angles P-C4'-P energy: -1.041
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: 7, replica: 9
=====================================
Write number: 264
Temperature: 2.450000
Total energy: -35.807644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.807644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.807644 (E_RNA)
where:
Base-Base interactions energy: -11.271
where: short stacking energy: -9.945
Base-Backbone interact. energy: -0.555
local terms energy: -23.981443
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -8.121
flat angles P-C4'-P energy: -3.036
tors. eta vs tors. theta energy: 10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 264
Temperature: 2.466667
Total energy: -36.713595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.713595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.713595 (E_RNA)
where:
Base-Base interactions energy: -9.590
where: short stacking energy: -9.590
Base-Backbone interact. energy: 3.009
local terms energy: -30.132626
where:
bonds (distance) C4'-P energy: -8.037
bonds (distance) P-C4' energy: -7.067
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -1.604
tors. eta vs tors. theta energy: 1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 264
Temperature: 2.483333
Total energy: -38.614848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.614848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.614848 (E_RNA)
where:
Base-Base interactions energy: -8.611
where: short stacking energy: -8.611
Base-Backbone interact. energy: 1.563
local terms energy: -31.567428
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -4.856
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: 5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 264
Temperature: 2.500000
Total energy: -40.688952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.688952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.688952 (E_RNA)
where:
Base-Base interactions energy: -8.749
where: short stacking energy: -3.366
Base-Backbone interact. energy: -0.117
local terms energy: -31.822451
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: 7.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 265
Temperature: 2.350000
Total energy: -41.065529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.065529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.065529 (E_RNA)
where:
Base-Base interactions energy: -12.479
where: short stacking energy: -12.479
Base-Backbone interact. energy: 3.833
local terms energy: -32.418917
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -5.461
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: 1.330
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: 6
=====================================
Write number: 265
Temperature: 2.366667
Total energy: -35.369738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.369738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.369738 (E_RNA)
where:
Base-Base interactions energy: -13.748
where: short stacking energy: -12.385
Base-Backbone interact. energy: 2.639
local terms energy: -24.260126
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -8.205
flat angles C4'-P-C4' energy: -3.382
flat angles P-C4'-P energy: -5.247
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: 3, replica: 3
=====================================
Write number: 265
Temperature: 2.383333
Total energy: -40.719864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.719864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.719864 (E_RNA)
where:
Base-Base interactions energy: -6.759
where: short stacking energy: -4.431
Base-Backbone interact. energy: 1.451
local terms energy: -35.411559
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -2.181
tors. eta vs tors. theta energy: 8.437
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: 2
=====================================
Write number: 265
Temperature: 2.400000
Total energy: -36.997422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.997422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.997422 (E_RNA)
where:
Base-Base interactions energy: -9.849
where: short stacking energy: -3.160
Base-Backbone interact. energy: -0.521
local terms energy: -26.627169
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -5.132
tors. eta vs tors. theta energy: 12.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 265
Temperature: 2.416667
Total energy: -37.577270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.577270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.577270 (E_RNA)
where:
Base-Base interactions energy: -11.907
where: short stacking energy: -11.703
Base-Backbone interact. energy: -0.054
local terms energy: -25.616053
where:
bonds (distance) C4'-P energy: -0.417
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: 4.118
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: 6, replica: 9
=====================================
Write number: 265
Temperature: 2.433333
Total energy: -38.068422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.068422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.068422 (E_RNA)
where:
Base-Base interactions energy: -7.957
where: short stacking energy: -7.064
Base-Backbone interact. energy: -0.187
local terms energy: -29.924413
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -2.727
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: 7, replica: 8
=====================================
Write number: 265
Temperature: 2.450000
Total energy: -35.524962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.524962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.524962 (E_RNA)
where:
Base-Base interactions energy: -8.832
where: short stacking energy: -8.694
Base-Backbone interact. energy: -0.186
local terms energy: -26.507820
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -1.912
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: 6.087
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: 5
=====================================
Write number: 265
Temperature: 2.466667
Total energy: -37.881249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.881249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.881249 (E_RNA)
where:
Base-Base interactions energy: -9.519
where: short stacking energy: -6.826
Base-Backbone interact. energy: -0.187
local terms energy: -28.174785
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -0.517
flat angles P-C4'-P energy: -7.017
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: 9, replica: 10
=====================================
Write number: 265
Temperature: 2.483333
Total energy: -38.763756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.763756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.763756 (E_RNA)
where:
Base-Base interactions energy: -1.360
where: short stacking energy: -1.360
Base-Backbone interact. energy: 0.385
local terms energy: -37.788453
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: 7.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 265
Temperature: 2.500000
Total energy: -37.585943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.585943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.585943 (E_RNA)
where:
Base-Base interactions energy: -4.866
where: short stacking energy: -2.179
Base-Backbone interact. energy: -0.194
local terms energy: -32.526048
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -4.100
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: 10.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 266
Temperature: 2.350000
Total energy: -42.052742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.052742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.052742 (E_RNA)
where:
Base-Base interactions energy: -12.896
where: short stacking energy: -12.896
Base-Backbone interact. energy: 0.058
local terms energy: -29.214330
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -10.829
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: 3.763
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: 2, replica: 7
=====================================
Write number: 266
Temperature: 2.366667
Total energy: -47.590709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.590709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.590709 (E_RNA)
where:
Base-Base interactions energy: -8.276
where: short stacking energy: -8.276
Base-Backbone interact. energy: -0.236
local terms energy: -39.078372
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -7.244
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: 10.357
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: 2
=====================================
Write number: 266
Temperature: 2.383333
Total energy: -37.423152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.423152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.423152 (E_RNA)
where:
Base-Base interactions energy: -7.949
where: short stacking energy: -7.949
Base-Backbone interact. energy: -0.211
local terms energy: -29.262542
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -2.426
flat angles P-C4'-P energy: -0.156
tors. eta vs tors. theta energy: 5.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 266
Temperature: 2.400000
Total energy: -40.968732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.968732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.968732 (E_RNA)
where:
Base-Base interactions energy: -10.514
where: short stacking energy: -6.785
Base-Backbone interact. energy: -0.135
local terms energy: -30.320129
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -3.826
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -6.097
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: 5, replica: 9
=====================================
Write number: 266
Temperature: 2.416667
Total energy: -37.991325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.991325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.991325 (E_RNA)
where:
Base-Base interactions energy: -9.386
where: short stacking energy: -7.652
Base-Backbone interact. energy: -0.143
local terms energy: -28.462014
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -8.192
flat angles P-C4'-P energy: -1.566
tors. eta vs tors. theta energy: 8.184
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: 6, replica: 1
=====================================
Write number: 266
Temperature: 2.433333
Total energy: -41.311220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.311220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.311220 (E_RNA)
where:
Base-Base interactions energy: -12.750
where: short stacking energy: -9.814
Base-Backbone interact. energy: -0.191
local terms energy: -28.370464
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -9.229
flat angles P-C4'-P energy: 5.200
tors. eta vs tors. theta energy: 8.547
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: 266
Temperature: 2.450000
Total energy: -33.041791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.041791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.041791 (E_RNA)
where:
Base-Base interactions energy: -2.240
where: short stacking energy: 1.300
Base-Backbone interact. energy: 0.844
local terms energy: -31.645526
where:
bonds (distance) C4'-P energy: -6.680
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: 6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 2.466667
Total energy: -35.066576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.066576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.066576 (E_RNA)
where:
Base-Base interactions energy: -4.992
where: short stacking energy: -4.265
Base-Backbone interact. energy: 1.074
local terms energy: -31.148898
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -9.149
flat angles P-C4'-P energy: -4.980
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: 9, replica: 4
=====================================
Write number: 266
Temperature: 2.483333
Total energy: -35.150829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.150829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.150829 (E_RNA)
where:
Base-Base interactions energy: -5.628
where: short stacking energy: -5.628
Base-Backbone interact. energy: 1.991
local terms energy: -31.514357
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -7.189
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: 7.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 2.500000
Total energy: -36.363097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.363097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.363097 (E_RNA)
where:
Base-Base interactions energy: -8.182
where: short stacking energy: -1.896
Base-Backbone interact. energy: -0.325
local terms energy: -27.856017
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -9.413
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: 13.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 267
Temperature: 2.350000
Total energy: -38.632356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.632356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.632356 (E_RNA)
where:
Base-Base interactions energy: -7.434
where: short stacking energy: -6.644
Base-Backbone interact. energy: -0.915
local terms energy: -30.283639
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -1.296
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: 7.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 267
Temperature: 2.366667
Total energy: -39.460201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.460201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.460201 (E_RNA)
where:
Base-Base interactions energy: -8.953
where: short stacking energy: -7.525
Base-Backbone interact. energy: -0.314
local terms energy: -30.192796
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -5.596
flat angles P-C4'-P energy: -4.276
tors. eta vs tors. theta energy: 6.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 267
Temperature: 2.383333
Total energy: -38.007279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.007279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.007279 (E_RNA)
where:
Base-Base interactions energy: -11.682
where: short stacking energy: -11.782
Base-Backbone interact. energy: -0.221
local terms energy: -26.104834
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -5.321
flat angles C4'-P-C4' energy: -8.436
flat angles P-C4'-P energy: -3.626
tors. eta vs tors. theta energy: 2.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 267
Temperature: 2.400000
Total energy: -35.956577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.956577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.956577 (E_RNA)
where:
Base-Base interactions energy: -10.015
where: short stacking energy: -10.713
Base-Backbone interact. energy: 1.442
local terms energy: -27.383524
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -7.295
flat angles C4'-P-C4' energy: -5.329
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: 5.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 267
Temperature: 2.416667
Total energy: -42.603203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.603203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.603203 (E_RNA)
where:
Base-Base interactions energy: -13.361
where: short stacking energy: -11.963
Base-Backbone interact. energy: 0.436
local terms energy: -29.678052
where:
bonds (distance) C4'-P energy: -7.975
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: 6.410
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: 5
=====================================
Write number: 267
Temperature: 2.433333
Total energy: -35.656056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.656056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.656056 (E_RNA)
where:
Base-Base interactions energy: -0.749
where: short stacking energy: -0.749
Base-Backbone interact. energy: 0.199
local terms energy: -35.105677
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -0.380
tors. eta vs tors. theta energy: 2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 267
Temperature: 2.450000
Total energy: -39.469936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.469936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.469936 (E_RNA)
where:
Base-Base interactions energy: -8.318
where: short stacking energy: -8.418
Base-Backbone interact. energy: -0.453
local terms energy: -30.699235
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: 3.845
tors. eta vs tors. theta energy: 6.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 2.466667
Total energy: -44.756077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.756077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.756077 (E_RNA)
where:
Base-Base interactions energy: -13.964
where: short stacking energy: -6.051
Base-Backbone interact. energy: -1.240
local terms energy: -29.552399
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -3.857
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: 6.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 267
Temperature: 2.483333
Total energy: -37.713290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.713290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.713290 (E_RNA)
where:
Base-Base interactions energy: -1.546
where: short stacking energy: -0.367
Base-Backbone interact. energy: -0.470
local terms energy: -35.697349
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -2.425
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: 4.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 2.500000
Total energy: -38.159133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.159133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.159133 (E_RNA)
where:
Base-Base interactions energy: -9.493
where: short stacking energy: -7.843
Base-Backbone interact. energy: -0.182
local terms energy: -28.484579
where:
bonds (distance) C4'-P energy: -9.160
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -5.037
tors. eta vs tors. theta energy: 11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 268
Temperature: 2.350000
Total energy: -39.851780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.851780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.851780 (E_RNA)
where:
Base-Base interactions energy: -13.958
where: short stacking energy: -13.958
Base-Backbone interact. energy: 1.271
local terms energy: -27.164380
where:
bonds (distance) C4'-P energy: -5.797
bonds (distance) P-C4' energy: 0.717
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -7.316
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: 2, replica: 6
=====================================
Write number: 268
Temperature: 2.366667
Total energy: -37.987604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.987604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.987604 (E_RNA)
where:
Base-Base interactions energy: -8.654
where: short stacking energy: -8.092
Base-Backbone interact. energy: -0.032
local terms energy: -29.302432
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -8.328
flat angles P-C4'-P energy: -1.960
tors. eta vs tors. theta energy: 10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 268
Temperature: 2.383333
Total energy: -34.969676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.969676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.969676 (E_RNA)
where:
Base-Base interactions energy: -1.906
where: short stacking energy: -2.206
Base-Backbone interact. energy: -0.267
local terms energy: -32.797290
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -7.622
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: 5.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 268
Temperature: 2.400000
Total energy: -35.310504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.310504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.310504 (E_RNA)
where:
Base-Base interactions energy: -9.422
where: short stacking energy: -7.624
Base-Backbone interact. energy: 0.533
local terms energy: -26.421998
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -8.065
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: 13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 268
Temperature: 2.416667
Total energy: -33.906328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.906328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.906328 (E_RNA)
where:
Base-Base interactions energy: -16.453
where: short stacking energy: -9.769
Base-Backbone interact. energy: -0.156
local terms energy: -17.297009
where:
bonds (distance) C4'-P energy: -5.248
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -2.968
flat angles P-C4'-P energy: -2.760
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: 6, replica: 3
=====================================
Write number: 268
Temperature: 2.433333
Total energy: -38.728244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.728244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.728244 (E_RNA)
where:
Base-Base interactions energy: -3.703
where: short stacking energy: -3.703
Base-Backbone interact. energy: -0.115
local terms energy: -34.910587
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -0.255
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: 7, replica: 4
=====================================
Write number: 268
Temperature: 2.450000
Total energy: -38.800949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.800949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.800949 (E_RNA)
where:
Base-Base interactions energy: -10.715
where: short stacking energy: -10.386
Base-Backbone interact. energy: -0.517
local terms energy: -27.569223
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: 6.146
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: 4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 2.466667
Total energy: -31.059778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.059778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.059778 (E_RNA)
where:
Base-Base interactions energy: -9.581
where: short stacking energy: -8.273
Base-Backbone interact. energy: -0.568
local terms energy: -20.910682
where:
bonds (distance) C4'-P energy: -6.038
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -7.137
flat angles P-C4'-P energy: -0.876
tors. eta vs tors. theta energy: 7.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 268
Temperature: 2.483333
Total energy: -39.167204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.167204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.167204 (E_RNA)
where:
Base-Base interactions energy: -12.096
where: short stacking energy: -12.096
Base-Backbone interact. energy: -0.150
local terms energy: -26.922168
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -6.962
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -1.308
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: 10, replica: 8
=====================================
Write number: 268
Temperature: 2.500000
Total energy: -35.603511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.603511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.603511 (E_RNA)
where:
Base-Base interactions energy: -4.441
where: short stacking energy: -3.333
Base-Backbone interact. energy: -0.207
local terms energy: -30.955523
where:
bonds (distance) C4'-P energy: -9.207
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: 11.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 269
Temperature: 2.350000
Total energy: -43.301111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.301111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.301111 (E_RNA)
where:
Base-Base interactions energy: -4.079
where: short stacking energy: -3.714
Base-Backbone interact. energy: 1.386
local terms energy: -40.608348
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -9.758
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: 4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 269
Temperature: 2.366667
Total energy: -43.222609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.222609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.222609 (E_RNA)
where:
Base-Base interactions energy: -11.900
where: short stacking energy: -11.688
Base-Backbone interact. energy: -0.454
local terms energy: -30.868538
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -1.035
flat angles C4'-P-C4' energy: -8.958
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: 1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 269
Temperature: 2.383333
Total energy: -38.217829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.217829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.217829 (E_RNA)
where:
Base-Base interactions energy: -4.312
where: short stacking energy: -3.852
Base-Backbone interact. energy: -0.228
local terms energy: -33.677578
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -5.467
flat angles P-C4'-P energy: -1.474
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: 4, replica: 5
=====================================
Write number: 269
Temperature: 2.400000
Total energy: -43.861398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.861398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.861398 (E_RNA)
where:
Base-Base interactions energy: -18.718
where: short stacking energy: -14.726
Base-Backbone interact. energy: -0.269
local terms energy: -24.873635
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -7.364
flat angles C4'-P-C4' energy: 0.830
flat angles P-C4'-P energy: -8.399
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: 5, replica: 7
=====================================
Write number: 269
Temperature: 2.416667
Total energy: -38.004143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.004143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.004143 (E_RNA)
where:
Base-Base interactions energy: -0.794
where: short stacking energy: -0.352
Base-Backbone interact. energy: -0.324
local terms energy: -36.886046
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -6.076
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: 6, replica: 4
=====================================
Write number: 269
Temperature: 2.433333
Total energy: -35.324205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.324205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.324205 (E_RNA)
where:
Base-Base interactions energy: -7.736
where: short stacking energy: -4.683
Base-Backbone interact. energy: -0.179
local terms energy: -27.409368
where:
bonds (distance) C4'-P energy: -7.775
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -4.209
flat angles P-C4'-P energy: -4.984
tors. eta vs tors. theta energy: 4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 269
Temperature: 2.450000
Total energy: -36.877991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.877991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.877991 (E_RNA)
where:
Base-Base interactions energy: -7.099
where: short stacking energy: -7.099
Base-Backbone interact. energy: -0.205
local terms energy: -29.574308
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -9.913
flat angles C4'-P-C4' energy: -6.010
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: 8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 269
Temperature: 2.466667
Total energy: -39.309965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.309965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.309965 (E_RNA)
where:
Base-Base interactions energy: -6.180
where: short stacking energy: -2.779
Base-Backbone interact. energy: -0.220
local terms energy: -32.910413
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -5.447
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: 10.054
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: 269
Temperature: 2.483333
Total energy: -35.979187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.979187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.979187 (E_RNA)
where:
Base-Base interactions energy: -7.509
where: short stacking energy: -7.509
Base-Backbone interact. energy: -0.519
local terms energy: -27.950702
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: 2.606
tors. eta vs tors. theta energy: 7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 2.500000
Total energy: -39.049184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.049184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.049184 (E_RNA)
where:
Base-Base interactions energy: -6.958
where: short stacking energy: -5.964
Base-Backbone interact. energy: 2.034
local terms energy: -34.125519
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -3.684
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: 9.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 270
Temperature: 2.350000
Total energy: -40.643820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.643820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.643820 (E_RNA)
where:
Base-Base interactions energy: -2.452
where: short stacking energy: -2.452
Base-Backbone interact. energy: -0.140
local terms energy: -38.052083
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -10.695
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -2.157
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: 2, replica: 2
=====================================
Write number: 270
Temperature: 2.366667
Total energy: -39.095988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.095988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.095988 (E_RNA)
where:
Base-Base interactions energy: -6.484
where: short stacking energy: -2.873
Base-Backbone interact. energy: 0.568
local terms energy: -33.179834
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -9.869
flat angles P-C4'-P energy: -2.741
tors. eta vs tors. theta energy: 10.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 270
Temperature: 2.383333
Total energy: -32.290594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.290594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.290594 (E_RNA)
where:
Base-Base interactions energy: -3.359
where: short stacking energy: -3.004
Base-Backbone interact. energy: 3.850
local terms energy: -32.781567
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -9.692
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: 8.107
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: 270
Temperature: 2.400000
Total energy: -35.389112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.389112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.389112 (E_RNA)
where:
Base-Base interactions energy: -5.918
where: short stacking energy: -4.249
Base-Backbone interact. energy: -0.260
local terms energy: -29.211638
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -5.550
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: 8.723
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: 4
=====================================
Write number: 270
Temperature: 2.416667
Total energy: -36.873973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.873973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.873973 (E_RNA)
where:
Base-Base interactions energy: -8.574
where: short stacking energy: -6.869
Base-Backbone interact. energy: 0.691
local terms energy: -28.990609
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -5.495
flat angles P-C4'-P energy: -6.292
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: 7
=====================================
Write number: 270
Temperature: 2.433333
Total energy: -43.746863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.746863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.746863 (E_RNA)
where:
Base-Base interactions energy: -4.080
where: short stacking energy: -2.462
Base-Backbone interact. energy: 1.035
local terms energy: -40.701801
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: 8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 270
Temperature: 2.450000
Total energy: -41.635686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.635686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.635686 (E_RNA)
where:
Base-Base interactions energy: -8.629
where: short stacking energy: -7.263
Base-Backbone interact. energy: -0.320
local terms energy: -32.687013
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -2.765
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: 10.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 270
Temperature: 2.466667
Total energy: -40.056921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.056921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.056921 (E_RNA)
where:
Base-Base interactions energy: -7.342
where: short stacking energy: -4.475
Base-Backbone interact. energy: -0.333
local terms energy: -32.381321
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -7.441
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: 7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 270
Temperature: 2.483333
Total energy: -35.442907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.442907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.442907 (E_RNA)
where:
Base-Base interactions energy: -8.152
where: short stacking energy: -8.018
Base-Backbone interact. energy: -0.950
local terms energy: -26.341096
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -7.730
flat angles C4'-P-C4' energy: -1.071
flat angles P-C4'-P energy: -6.576
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: 10, replica: 1
=====================================
Write number: 270
Temperature: 2.500000
Total energy: -32.208078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.208078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.208078 (E_RNA)
where:
Base-Base interactions energy: -2.778
where: short stacking energy: -2.778
Base-Backbone interact. energy: -0.459
local terms energy: -28.971263
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -9.010
flat angles C4'-P-C4' energy: -4.067
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: 6.814
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: 9
=====================================
Write number: 271
Temperature: 2.350000
Total energy: -41.354562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.354562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.354562 (E_RNA)
where:
Base-Base interactions energy: -6.365
where: short stacking energy: -3.155
Base-Backbone interact. energy: -0.041
local terms energy: -34.948894
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -10.030
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -3.166
tors. eta vs tors. theta energy: 8.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 271
Temperature: 2.366667
Total energy: -36.230243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.230243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.230243 (E_RNA)
where:
Base-Base interactions energy: -5.739
where: short stacking energy: -2.360
Base-Backbone interact. energy: -0.087
local terms energy: -30.403716
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -2.055
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: 5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 271
Temperature: 2.383333
Total energy: -38.631176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.631176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.631176 (E_RNA)
where:
Base-Base interactions energy: -1.855
where: short stacking energy: -1.855
Base-Backbone interact. energy: 1.757
local terms energy: -38.533429
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: 9.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 271
Temperature: 2.400000
Total energy: -38.140300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.140300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.140300 (E_RNA)
where:
Base-Base interactions energy: -7.952
where: short stacking energy: -7.522
Base-Backbone interact. energy: -0.195
local terms energy: -29.994185
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -3.718
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: 7.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 2.416667
Total energy: -37.692332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.692332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.692332 (E_RNA)
where:
Base-Base interactions energy: -8.141
where: short stacking energy: -6.167
Base-Backbone interact. energy: 1.347
local terms energy: -30.898493
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -3.799
tors. eta vs tors. theta energy: 13.332
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: 6, replica: 10
=====================================
Write number: 271
Temperature: 2.433333
Total energy: -35.794623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.794623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.794623 (E_RNA)
where:
Base-Base interactions energy: -7.243
where: short stacking energy: -6.669
Base-Backbone interact. energy: -0.367
local terms energy: -28.184628
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: 7.422
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: 271
Temperature: 2.450000
Total energy: -35.430027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.430027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.430027 (E_RNA)
where:
Base-Base interactions energy: -11.044
where: short stacking energy: -11.044
Base-Backbone interact. energy: -0.107
local terms energy: -24.279302
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -3.092
flat angles P-C4'-P energy: -3.286
tors. eta vs tors. theta energy: 2.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 271
Temperature: 2.466667
Total energy: -31.970877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.970877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.970877 (E_RNA)
where:
Base-Base interactions energy: -1.313
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.510
local terms energy: -30.147971
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -4.037
flat angles P-C4'-P energy: -0.578
tors. eta vs tors. theta energy: 10.456
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: 3
=====================================
Write number: 271
Temperature: 2.483333
Total energy: -36.747542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.747542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.747542 (E_RNA)
where:
Base-Base interactions energy: -8.197
where: short stacking energy: -6.129
Base-Backbone interact. energy: -0.573
local terms energy: -27.977706
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -7.016
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: 10.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 271
Temperature: 2.500000
Total energy: -43.228172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.228172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.228172 (E_RNA)
where:
Base-Base interactions energy: -13.282
where: short stacking energy: -12.355
Base-Backbone interact. energy: 5.064
local terms energy: -35.010542
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -8.593
flat angles C4'-P-C4' energy: -10.466
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: 6.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 272
Temperature: 2.350000
Total energy: -39.143681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.143681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.143681 (E_RNA)
where:
Base-Base interactions energy: -4.377
where: short stacking energy: -5.100
Base-Backbone interact. energy: -0.144
local terms energy: -34.623147
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: 6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 272
Temperature: 2.366667
Total energy: -36.299812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.299812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.299812 (E_RNA)
where:
Base-Base interactions energy: -2.616
where: short stacking energy: -1.815
Base-Backbone interact. energy: -0.404
local terms energy: -33.280211
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: 13.140
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: 4
=====================================
Write number: 272
Temperature: 2.383333
Total energy: -37.595693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.595693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.595693 (E_RNA)
where:
Base-Base interactions energy: -4.410
where: short stacking energy: -2.553
Base-Backbone interact. energy: -0.595
local terms energy: -32.590878
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -6.358
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: 8.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 272
Temperature: 2.400000
Total energy: -41.049879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.049879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.049879 (E_RNA)
where:
Base-Base interactions energy: -6.651
where: short stacking energy: -5.400
Base-Backbone interact. energy: -0.698
local terms energy: -33.700363
where:
bonds (distance) C4'-P energy: -8.699
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: 9.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 272
Temperature: 2.416667
Total energy: -38.312248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.312248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.312248 (E_RNA)
where:
Base-Base interactions energy: -12.089
where: short stacking energy: -6.449
Base-Backbone interact. energy: -0.291
local terms energy: -25.931861
where:
bonds (distance) C4'-P energy: -7.330
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: 4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 272
Temperature: 2.433333
Total energy: -40.420153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.420153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.420153 (E_RNA)
where:
Base-Base interactions energy: -9.278
where: short stacking energy: -9.045
Base-Backbone interact. energy: -0.136
local terms energy: -31.005711
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -4.188
flat angles P-C4'-P energy: -7.567
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: 7, replica: 8
=====================================
Write number: 272
Temperature: 2.450000
Total energy: -39.545267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.545267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.545267 (E_RNA)
where:
Base-Base interactions energy: -5.377
where: short stacking energy: -5.677
Base-Backbone interact. energy: -0.307
local terms energy: -33.861507
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -3.698
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: 8, replica: 7
=====================================
Write number: 272
Temperature: 2.466667
Total energy: -39.306763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.306763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.306763 (E_RNA)
where:
Base-Base interactions energy: -1.990
where: short stacking energy: 0.097
Base-Backbone interact. energy: 0.935
local terms energy: -38.252291
where:
bonds (distance) C4'-P energy: -7.225
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: 3.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 272
Temperature: 2.483333
Total energy: -33.391276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.391276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.391276 (E_RNA)
where:
Base-Base interactions energy: -6.370
where: short stacking energy: -6.370
Base-Backbone interact. energy: -0.004
local terms energy: -27.017563
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: 4.808
tors. eta vs tors. theta energy: 6.981
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: 10, replica: 3
=====================================
Write number: 272
Temperature: 2.500000
Total energy: -35.673210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.673210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.673210 (E_RNA)
where:
Base-Base interactions energy: -10.865
where: short stacking energy: -10.865
Base-Backbone interact. energy: -0.298
local terms energy: -24.510640
where:
bonds (distance) C4'-P energy: -8.468
bonds (distance) P-C4' energy: -3.739
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: 3.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 273
Temperature: 2.350000
Total energy: -57.517542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.517542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.517542 (E_RNA)
where:
Base-Base interactions energy: -11.026
where: short stacking energy: -11.026
Base-Backbone interact. energy: -0.296
local terms energy: -46.195327
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -7.775
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: 2, replica: 4
=====================================
Write number: 273
Temperature: 2.366667
Total energy: -36.949495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.949495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.949495 (E_RNA)
where:
Base-Base interactions energy: -10.487
where: short stacking energy: -10.487
Base-Backbone interact. energy: -0.124
local terms energy: -26.338189
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: 4.229
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: 6.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 273
Temperature: 2.383333
Total energy: -35.603028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.603028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.603028 (E_RNA)
where:
Base-Base interactions energy: -8.993
where: short stacking energy: -8.706
Base-Backbone interact. energy: 0.748
local terms energy: -27.358240
where:
bonds (distance) C4'-P energy: -1.701
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -4.095
flat angles P-C4'-P energy: -6.962
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: 10
=====================================
Write number: 273
Temperature: 2.400000
Total energy: -36.759771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.759771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.759771 (E_RNA)
where:
Base-Base interactions energy: -2.644
where: short stacking energy: -0.225
Base-Backbone interact. energy: -0.316
local terms energy: -33.798886
where:
bonds (distance) C4'-P energy: -6.946
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -7.905
flat angles P-C4'-P energy: -6.295
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: 5, replica: 2
=====================================
Write number: 273
Temperature: 2.416667
Total energy: -37.644477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.644477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.644477 (E_RNA)
where:
Base-Base interactions energy: -8.847
where: short stacking energy: -8.432
Base-Backbone interact. energy: 2.478
local terms energy: -31.275068
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: 10.334
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: 6, replica: 8
=====================================
Write number: 273
Temperature: 2.433333
Total energy: -35.307455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.307455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.307455 (E_RNA)
where:
Base-Base interactions energy: -5.716
where: short stacking energy: -3.046
Base-Backbone interact. energy: 1.020
local terms energy: -30.611696
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -6.237
flat angles P-C4'-P energy: -1.623
tors. eta vs tors. theta energy: 6.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 273
Temperature: 2.450000
Total energy: -41.310412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.310412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.310412 (E_RNA)
where:
Base-Base interactions energy: -12.497
where: short stacking energy: -11.913
Base-Backbone interact. energy: -0.118
local terms energy: -28.696004
where:
bonds (distance) C4'-P energy: -8.336
bonds (distance) P-C4' energy: -12.375
flat angles C4'-P-C4' energy: -6.565
flat angles P-C4'-P energy: -5.492
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: 8, replica: 1
=====================================
Write number: 273
Temperature: 2.466667
Total energy: -31.879301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.879301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.879301 (E_RNA)
where:
Base-Base interactions energy: -8.933
where: short stacking energy: -6.590
Base-Backbone interact. energy: -1.357
local terms energy: -21.589289
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -5.413
flat angles P-C4'-P energy: -0.988
tors. eta vs tors. theta energy: 11.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 2.483333
Total energy: -33.529175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.529175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.529175 (E_RNA)
where:
Base-Base interactions energy: -5.005
where: short stacking energy: -3.625
Base-Backbone interact. energy: -0.120
local terms energy: -28.403563
where:
bonds (distance) C4'-P energy: -9.095
bonds (distance) P-C4' energy: -3.255
flat angles C4'-P-C4' energy: -10.769
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: 4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 273
Temperature: 2.500000
Total energy: -38.361214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.361214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.361214 (E_RNA)
where:
Base-Base interactions energy: -8.399
where: short stacking energy: -8.399
Base-Backbone interact. energy: -0.375
local terms energy: -29.586766
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -6.172
flat angles P-C4'-P energy: -0.492
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: 1, replica: 4
=====================================
Write number: 274
Temperature: 2.350000
Total energy: -43.280115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.280115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.280115 (E_RNA)
where:
Base-Base interactions energy: -10.410
where: short stacking energy: -9.698
Base-Backbone interact. energy: -0.325
local terms energy: -32.544679
where:
bonds (distance) C4'-P energy: -2.982
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: 8.881
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: 5
=====================================
Write number: 274
Temperature: 2.366667
Total energy: -47.182626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.182626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.182626 (E_RNA)
where:
Base-Base interactions energy: -3.826
where: short stacking energy: -2.512
Base-Backbone interact. energy: -0.033
local terms energy: -43.324305
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: 4.024
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: 10
=====================================
Write number: 274
Temperature: 2.383333
Total energy: -46.529073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.529073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.529073 (E_RNA)
where:
Base-Base interactions energy: -12.585
where: short stacking energy: -8.604
Base-Backbone interact. energy: -0.407
local terms energy: -33.537092
where:
bonds (distance) C4'-P energy: -8.556
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -2.973
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: 4, replica: 9
=====================================
Write number: 274
Temperature: 2.400000
Total energy: -43.907635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.907635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.907635 (E_RNA)
where:
Base-Base interactions energy: -9.457
where: short stacking energy: -8.162
Base-Backbone interact. energy: 0.595
local terms energy: -35.045327
where:
bonds (distance) C4'-P energy: -6.357
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -8.365
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: 3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 274
Temperature: 2.416667
Total energy: -35.487309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.487309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.487309 (E_RNA)
where:
Base-Base interactions energy: -10.747
where: short stacking energy: -6.473
Base-Backbone interact. energy: -1.078
local terms energy: -23.662241
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -6.482
flat angles C4'-P-C4' energy: -5.413
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: 7.039
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: 8
=====================================
Write number: 274
Temperature: 2.433333
Total energy: -35.211873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.211873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.211873 (E_RNA)
where:
Base-Base interactions energy: -6.265
where: short stacking energy: -6.265
Base-Backbone interact. energy: -0.104
local terms energy: -28.842158
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -3.663
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: 8.604
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: 7, replica: 1
=====================================
Write number: 274
Temperature: 2.450000
Total energy: -35.112927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.112927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.112927 (E_RNA)
where:
Base-Base interactions energy: -8.422
where: short stacking energy: -8.422
Base-Backbone interact. energy: 1.459
local terms energy: -28.149254
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -4.489
flat angles P-C4'-P energy: -1.742
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: 8, replica: 6
=====================================
Write number: 274
Temperature: 2.466667
Total energy: -38.364972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.364972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.364972 (E_RNA)
where:
Base-Base interactions energy: -4.857
where: short stacking energy: -3.979
Base-Backbone interact. energy: -0.166
local terms energy: -33.342363
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -3.067
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: 10.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 274
Temperature: 2.483333
Total energy: -36.506267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.506267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.506267 (E_RNA)
where:
Base-Base interactions energy: -9.075
where: short stacking energy: -9.075
Base-Backbone interact. energy: -0.129
local terms energy: -27.302531
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -9.278
flat angles C4'-P-C4' energy: -2.543
flat angles P-C4'-P energy: -2.526
tors. eta vs tors. theta energy: 5.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 2.500000
Total energy: -44.472238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.472238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.472238 (E_RNA)
where:
Base-Base interactions energy: -8.981
where: short stacking energy: -7.359
Base-Backbone interact. energy: -0.317
local terms energy: -35.174167
where:
bonds (distance) C4'-P energy: -7.529
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -0.520
tors. eta vs tors. theta energy: 4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 275
Temperature: 2.350000
Total energy: -39.893173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.893173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.893173 (E_RNA)
where:
Base-Base interactions energy: -12.727
where: short stacking energy: -9.421
Base-Backbone interact. energy: -0.400
local terms energy: -26.765838
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -10.044
flat angles C4'-P-C4' energy: -4.226
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: 4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 275
Temperature: 2.366667
Total energy: -38.044683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.044683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.044683 (E_RNA)
where:
Base-Base interactions energy: -12.124
where: short stacking energy: -9.867
Base-Backbone interact. energy: -0.544
local terms energy: -25.376165
where:
bonds (distance) C4'-P energy: -7.392
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -1.625
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: 3, replica: 5
=====================================
Write number: 275
Temperature: 2.383333
Total energy: -38.708427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.708427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.708427 (E_RNA)
where:
Base-Base interactions energy: -11.843
where: short stacking energy: -10.933
Base-Backbone interact. energy: -0.530
local terms energy: -26.334981
where:
bonds (distance) C4'-P energy: -6.540
bonds (distance) P-C4' energy: -11.456
flat angles C4'-P-C4' energy: -7.339
flat angles P-C4'-P energy: -3.802
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: 4, replica: 2
=====================================
Write number: 275
Temperature: 2.400000
Total energy: -41.201935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.201935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.201935 (E_RNA)
where:
Base-Base interactions energy: -2.482
where: short stacking energy: -1.678
Base-Backbone interact. energy: -0.097
local terms energy: -38.622773
where:
bonds (distance) C4'-P energy: -8.585
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -6.558
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: 2.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 275
Temperature: 2.416667
Total energy: -46.842217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.842217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.842217 (E_RNA)
where:
Base-Base interactions energy: -5.480
where: short stacking energy: -2.672
Base-Backbone interact. energy: 0.080
local terms energy: -41.442548
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -10.371
flat angles P-C4'-P energy: -8.275
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: 6, replica: 1
=====================================
Write number: 275
Temperature: 2.433333
Total energy: -34.599653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.599653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.599653 (E_RNA)
where:
Base-Base interactions energy: -5.942
where: short stacking energy: -5.052
Base-Backbone interact. energy: 4.381
local terms energy: -33.038585
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -2.205
flat angles P-C4'-P energy: -5.045
tors. eta vs tors. theta energy: 1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 275
Temperature: 2.450000
Total energy: -43.915889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.915889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.915889 (E_RNA)
where:
Base-Base interactions energy: -14.144
where: short stacking energy: -14.094
Base-Backbone interact. energy: 6.051
local terms energy: -35.823147
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: 2.304
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: 8, replica: 3
=====================================
Write number: 275
Temperature: 2.466667
Total energy: -35.513375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.513375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.513375 (E_RNA)
where:
Base-Base interactions energy: -11.889
where: short stacking energy: -10.618
Base-Backbone interact. energy: 1.090
local terms energy: -24.714366
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -8.265
flat angles C4'-P-C4' energy: -2.835
flat angles P-C4'-P energy: -3.406
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: 6
=====================================
Write number: 275
Temperature: 2.483333
Total energy: -36.647888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.647888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.647888 (E_RNA)
where:
Base-Base interactions energy: -11.566
where: short stacking energy: -11.169
Base-Backbone interact. energy: 0.545
local terms energy: -25.627074
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -7.371
flat angles C4'-P-C4' energy: -5.989
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: 6.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 275
Temperature: 2.500000
Total energy: -41.885686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.885686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.885686 (E_RNA)
where:
Base-Base interactions energy: -7.877
where: short stacking energy: -7.877
Base-Backbone interact. energy: -0.105
local terms energy: -33.903345
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -8.586
flat angles P-C4'-P energy: -4.304
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: 1, replica: 10
=====================================
Write number: 276
Temperature: 2.350000
Total energy: -39.002586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.002586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.002586 (E_RNA)
where:
Base-Base interactions energy: -4.463
where: short stacking energy: -4.463
Base-Backbone interact. energy: -0.246
local terms energy: -34.294118
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: 0.809
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: 2, replica: 4
=====================================
Write number: 276
Temperature: 2.366667
Total energy: -35.444043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.444043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.444043 (E_RNA)
where:
Base-Base interactions energy: -7.519
where: short stacking energy: -3.521
Base-Backbone interact. energy: -0.823
local terms energy: -27.102069
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -10.227
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: 3.507
tors. eta vs tors. theta energy: 7.930
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: 276
Temperature: 2.383333
Total energy: -35.702189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.702189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.702189 (E_RNA)
where:
Base-Base interactions energy: -7.355
where: short stacking energy: -7.355
Base-Backbone interact. energy: -0.418
local terms energy: -27.928674
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -7.945
flat angles P-C4'-P energy: -6.227
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: 4, replica: 5
=====================================
Write number: 276
Temperature: 2.400000
Total energy: -35.043395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.043395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.043395 (E_RNA)
where:
Base-Base interactions energy: -4.988
where: short stacking energy: -4.833
Base-Backbone interact. energy: 1.249
local terms energy: -31.305173
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -9.865
flat angles P-C4'-P energy: -3.547
tors. eta vs tors. theta energy: 8.360
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: 1
=====================================
Write number: 276
Temperature: 2.416667
Total energy: -34.453763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.453763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.453763 (E_RNA)
where:
Base-Base interactions energy: -1.911
where: short stacking energy: -2.811
Base-Backbone interact. energy: -0.603
local terms energy: -31.939058
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -0.588
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: 4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 276
Temperature: 2.433333
Total energy: -40.505397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.505397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.505397 (E_RNA)
where:
Base-Base interactions energy: -3.957
where: short stacking energy: -3.815
Base-Backbone interact. energy: -0.477
local terms energy: -36.071999
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -6.496
flat angles P-C4'-P energy: -8.583
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: 7, replica: 3
=====================================
Write number: 276
Temperature: 2.450000
Total energy: -39.498494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.498494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.498494 (E_RNA)
where:
Base-Base interactions energy: -12.126
where: short stacking energy: -11.369
Base-Backbone interact. energy: 6.047
local terms energy: -33.419731
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -6.748
flat angles P-C4'-P energy: -1.689
tors. eta vs tors. theta energy: 5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 276
Temperature: 2.466667
Total energy: -38.616943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.616943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.616943 (E_RNA)
where:
Base-Base interactions energy: -11.183
where: short stacking energy: -11.183
Base-Backbone interact. energy: -0.023
local terms energy: -27.410725
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -5.504
flat angles C4'-P-C4' energy: -8.403
flat angles P-C4'-P energy: -3.346
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: 9, replica: 7
=====================================
Write number: 276
Temperature: 2.483333
Total energy: -31.957679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.957679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.957679 (E_RNA)
where:
Base-Base interactions energy: -5.163
where: short stacking energy: -3.681
Base-Backbone interact. energy: 1.112
local terms energy: -27.906338
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -5.858
flat angles P-C4'-P energy: -2.756
tors. eta vs tors. theta energy: 7.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 2.500000
Total energy: -42.725524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.725524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.725524 (E_RNA)
where:
Base-Base interactions energy: -7.661
where: short stacking energy: -7.661
Base-Backbone interact. energy: 1.412
local terms energy: -36.476788
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -8.647
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: 12.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 277
Temperature: 2.350000
Total energy: -40.589997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.589997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.589997 (E_RNA)
where:
Base-Base interactions energy: -11.731
where: short stacking energy: -11.731
Base-Backbone interact. energy: -0.328
local terms energy: -28.531299
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -8.715
flat angles P-C4'-P energy: -3.129
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: 2, replica: 2
=====================================
Write number: 277
Temperature: 2.366667
Total energy: -41.141325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.141325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.141325 (E_RNA)
where:
Base-Base interactions energy: -9.664
where: short stacking energy: -7.539
Base-Backbone interact. energy: -0.454
local terms energy: -31.022944
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -0.633
tors. eta vs tors. theta energy: 4.001
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: 277
Temperature: 2.383333
Total energy: -33.150654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.150654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.150654 (E_RNA)
where:
Base-Base interactions energy: -6.401
where: short stacking energy: -2.602
Base-Backbone interact. energy: -0.654
local terms energy: -26.095466
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -4.802
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: 9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 277
Temperature: 2.400000
Total energy: -41.077910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.077910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.077910 (E_RNA)
where:
Base-Base interactions energy: -12.536
where: short stacking energy: -7.124
Base-Backbone interact. energy: 1.039
local terms energy: -29.580864
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -5.483
flat angles P-C4'-P energy: -0.889
tors. eta vs tors. theta energy: 8.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 2.416667
Total energy: -38.858213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.858213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.858213 (E_RNA)
where:
Base-Base interactions energy: -9.244
where: short stacking energy: -3.374
Base-Backbone interact. energy: -1.215
local terms energy: -28.399155
where:
bonds (distance) C4'-P energy: -8.232
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: 11.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 277
Temperature: 2.433333
Total energy: -37.641737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.641737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.641737 (E_RNA)
where:
Base-Base interactions energy: -6.341
where: short stacking energy: -3.779
Base-Backbone interact. energy: -0.991
local terms energy: -30.309489
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -0.956
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -9.415
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: 7, replica: 9
=====================================
Write number: 277
Temperature: 2.450000
Total energy: -35.505939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.505939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.505939 (E_RNA)
where:
Base-Base interactions energy: -3.022
where: short stacking energy: -2.396
Base-Backbone interact. energy: -0.469
local terms energy: -32.014619
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -10.871
flat angles C4'-P-C4' energy: -6.516
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: 7.996
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: 7
=====================================
Write number: 277
Temperature: 2.466667
Total energy: -33.911820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.911820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.911820 (E_RNA)
where:
Base-Base interactions energy: -9.301
where: short stacking energy: -7.771
Base-Backbone interact. energy: 0.602
local terms energy: -25.213295
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -8.970
flat angles P-C4'-P energy: -2.686
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: 9, replica: 8
=====================================
Write number: 277
Temperature: 2.483333
Total energy: -35.760287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.760287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.760287 (E_RNA)
where:
Base-Base interactions energy: -6.555
where: short stacking energy: -6.292
Base-Backbone interact. energy: 0.101
local terms energy: -29.306301
where:
bonds (distance) C4'-P energy: -2.584
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: 6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 277
Temperature: 2.500000
Total energy: -34.339694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.339694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.339694 (E_RNA)
where:
Base-Base interactions energy: -2.029
where: short stacking energy: -5.121
Base-Backbone interact. energy: 0.954
local terms energy: -33.265228
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -7.690
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: 8.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 278
Temperature: 2.350000
Total energy: -37.081943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.081943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.081943 (E_RNA)
where:
Base-Base interactions energy: -6.267
where: short stacking energy: -6.267
Base-Backbone interact. energy: -0.082
local terms energy: -30.733359
where:
bonds (distance) C4'-P energy: -4.326
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: 5.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 278
Temperature: 2.366667
Total energy: -35.391977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.391977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.391977 (E_RNA)
where:
Base-Base interactions energy: -9.801
where: short stacking energy: -9.801
Base-Backbone interact. energy: 0.757
local terms energy: -26.348340
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -8.851
flat angles P-C4'-P energy: 3.859
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: 3, replica: 1
=====================================
Write number: 278
Temperature: 2.383333
Total energy: -34.555643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.555643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.555643 (E_RNA)
where:
Base-Base interactions energy: -5.635
where: short stacking energy: -4.896
Base-Backbone interact. energy: 0.632
local terms energy: -29.552471
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -5.321
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: 9.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 278
Temperature: 2.400000
Total energy: -39.169915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.169915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.169915 (E_RNA)
where:
Base-Base interactions energy: -8.903
where: short stacking energy: -6.411
Base-Backbone interact. energy: -0.777
local terms energy: -29.490105
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -3.141
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: 11.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 278
Temperature: 2.416667
Total energy: -39.273270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.273270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.273270 (E_RNA)
where:
Base-Base interactions energy: -12.477
where: short stacking energy: -12.213
Base-Backbone interact. energy: -0.266
local terms energy: -26.529699
where:
bonds (distance) C4'-P energy: -7.633
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -6.047
flat angles P-C4'-P energy: -1.372
tors. eta vs tors. theta energy: 5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 278
Temperature: 2.433333
Total energy: -37.973222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.973222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.973222 (E_RNA)
where:
Base-Base interactions energy: -6.723
where: short stacking energy: -5.812
Base-Backbone interact. energy: -0.154
local terms energy: -31.095629
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: 0.091
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: 7, replica: 7
=====================================
Write number: 278
Temperature: 2.450000
Total energy: -41.263487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.263487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.263487 (E_RNA)
where:
Base-Base interactions energy: -7.909
where: short stacking energy: -6.755
Base-Backbone interact. energy: -0.496
local terms energy: -32.858982
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -9.112
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: 8, replica: 9
=====================================
Write number: 278
Temperature: 2.466667
Total energy: -33.300836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.300836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.300836 (E_RNA)
where:
Base-Base interactions energy: -5.972
where: short stacking energy: -3.687
Base-Backbone interact. energy: 0.400
local terms energy: -27.728920
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -10.761
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: 5.500
tors. eta vs tors. theta energy: 9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 278
Temperature: 2.483333
Total energy: -33.819685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.819685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.819685 (E_RNA)
where:
Base-Base interactions energy: -5.119
where: short stacking energy: -4.959
Base-Backbone interact. energy: -0.181
local terms energy: -28.519230
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -7.186
flat angles P-C4'-P energy: -4.731
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: 10, replica: 8
=====================================
Write number: 278
Temperature: 2.500000
Total energy: -43.785088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.785088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.785088 (E_RNA)
where:
Base-Base interactions energy: -7.839
where: short stacking energy: -6.880
Base-Backbone interact. energy: -0.096
local terms energy: -35.850090
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: 10.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 2.350000
Total energy: -46.010006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.010006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.010006 (E_RNA)
where:
Base-Base interactions energy: -5.868
where: short stacking energy: -3.503
Base-Backbone interact. energy: -0.016
local terms energy: -40.126462
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: 5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 279
Temperature: 2.366667
Total energy: -44.349472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.349472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.349472 (E_RNA)
where:
Base-Base interactions energy: -11.779
where: short stacking energy: -8.012
Base-Backbone interact. energy: 0.233
local terms energy: -32.802871
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -7.424
flat angles C4'-P-C4' energy: -7.320
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: 7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 279
Temperature: 2.383333
Total energy: -35.124230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.124230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.124230 (E_RNA)
where:
Base-Base interactions energy: 1.033
where: short stacking energy: 1.033
Base-Backbone interact. energy: 1.393
local terms energy: -37.550716
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -3.637
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: 3
=====================================
Write number: 279
Temperature: 2.400000
Total energy: -36.891237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.891237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.891237 (E_RNA)
where:
Base-Base interactions energy: -10.842
where: short stacking energy: -9.366
Base-Backbone interact. energy: 3.057
local terms energy: -29.105788
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -8.379
flat angles P-C4'-P energy: 0.359
tors. eta vs tors. theta energy: 4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 279
Temperature: 2.416667
Total energy: -34.988822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.988822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.988822 (E_RNA)
where:
Base-Base interactions energy: -4.788
where: short stacking energy: -4.212
Base-Backbone interact. energy: -0.228
local terms energy: -29.973155
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: 6.712
tors. eta vs tors. theta energy: 5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 279
Temperature: 2.433333
Total energy: -38.125374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.125374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.125374 (E_RNA)
where:
Base-Base interactions energy: -9.426
where: short stacking energy: -5.355
Base-Backbone interact. energy: -0.712
local terms energy: -27.987418
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -6.455
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: 11.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 279
Temperature: 2.450000
Total energy: -38.285238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.285238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.285238 (E_RNA)
where:
Base-Base interactions energy: -7.844
where: short stacking energy: -7.261
Base-Backbone interact. energy: 0.257
local terms energy: -30.698375
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -1.302
tors. eta vs tors. theta energy: 9.684
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: 6
=====================================
Write number: 279
Temperature: 2.466667
Total energy: -37.416602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.416602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.416602 (E_RNA)
where:
Base-Base interactions energy: -4.452
where: short stacking energy: -4.068
Base-Backbone interact. energy: -0.410
local terms energy: -32.554588
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -9.632
flat angles P-C4'-P energy: -2.741
tors. eta vs tors. theta energy: 7.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 279
Temperature: 2.483333
Total energy: -39.080626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.080626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.080626 (E_RNA)
where:
Base-Base interactions energy: -8.024
where: short stacking energy: -4.852
Base-Backbone interact. energy: -0.600
local terms energy: -30.456866
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -3.366
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: 6.225
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: 10, replica: 8
=====================================
Write number: 279
Temperature: 2.500000
Total energy: -33.626669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.626669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.626669 (E_RNA)
where:
Base-Base interactions energy: -6.174
where: short stacking energy: -6.174
Base-Backbone interact. energy: 0.060
local terms energy: -27.512708
where:
bonds (distance) C4'-P energy: -5.772
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -6.317
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: 4.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 280
Temperature: 2.350000
Total energy: -41.773091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.773091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.773091 (E_RNA)
where:
Base-Base interactions energy: -7.777
where: short stacking energy: -7.777
Base-Backbone interact. energy: -0.125
local terms energy: -33.870631
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: 12.936
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: 2
=====================================
Write number: 280
Temperature: 2.366667
Total energy: -34.632776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.632776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.632776 (E_RNA)
where:
Base-Base interactions energy: -8.349
where: short stacking energy: -8.349
Base-Backbone interact. energy: -0.262
local terms energy: -26.021109
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -8.157
flat angles C4'-P-C4' energy: -2.620
flat angles P-C4'-P energy: -7.192
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: 3
=====================================
Write number: 280
Temperature: 2.383333
Total energy: -39.805209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.805209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.805209 (E_RNA)
where:
Base-Base interactions energy: -1.378
where: short stacking energy: -2.086
Base-Backbone interact. energy: -0.240
local terms energy: -38.187085
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -3.983
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: 4, replica: 10
=====================================
Write number: 280
Temperature: 2.400000
Total energy: -37.284613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.284613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.284613 (E_RNA)
where:
Base-Base interactions energy: -6.168
where: short stacking energy: -3.271
Base-Backbone interact. energy: -0.566
local terms energy: -30.550200
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: 1.644
tors. eta vs tors. theta energy: 8.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 280
Temperature: 2.416667
Total energy: -34.100815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.100815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.100815 (E_RNA)
where:
Base-Base interactions energy: -5.351
where: short stacking energy: -5.806
Base-Backbone interact. energy: -0.343
local terms energy: -28.406948
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -0.273
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: 7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 280
Temperature: 2.433333
Total energy: -34.414735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.414735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.414735 (E_RNA)
where:
Base-Base interactions energy: -4.387
where: short stacking energy: -4.126
Base-Backbone interact. energy: -0.134
local terms energy: -29.893628
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -4.144
flat angles P-C4'-P energy: -4.355
tors. eta vs tors. theta energy: 5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 280
Temperature: 2.450000
Total energy: -41.031862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.031862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.031862 (E_RNA)
where:
Base-Base interactions energy: -10.870
where: short stacking energy: -9.104
Base-Backbone interact. energy: -0.056
local terms energy: -30.106253
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -7.612
flat angles P-C4'-P energy: -4.131
tors. eta vs tors. theta energy: 7.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 280
Temperature: 2.466667
Total energy: -33.897204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.897204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.897204 (E_RNA)
where:
Base-Base interactions energy: -3.744
where: short stacking energy: -3.744
Base-Backbone interact. energy: -0.372
local terms energy: -29.780638
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -7.362
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: 11.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 280
Temperature: 2.483333
Total energy: -33.937484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.937484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.937484 (E_RNA)
where:
Base-Base interactions energy: -7.064
where: short stacking energy: -7.064
Base-Backbone interact. energy: -0.140
local terms energy: -26.733848
where:
bonds (distance) C4'-P energy: -8.701
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -2.133
tors. eta vs tors. theta energy: 7.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 280
Temperature: 2.500000
Total energy: -36.335108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.335108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.335108 (E_RNA)
where:
Base-Base interactions energy: -4.264
where: short stacking energy: -4.027
Base-Backbone interact. energy: 0.866
local terms energy: -32.937174
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -3.406
tors. eta vs tors. theta energy: 10.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 281
Temperature: 2.350000
Total energy: -36.310146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.310146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.310146 (E_RNA)
where:
Base-Base interactions energy: -7.909
where: short stacking energy: -6.910
Base-Backbone interact. energy: 0.196
local terms energy: -28.597255
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: 2.720
tors. eta vs tors. theta energy: 6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 281
Temperature: 2.366667
Total energy: -44.091090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.091090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.091090 (E_RNA)
where:
Base-Base interactions energy: -9.444
where: short stacking energy: -7.681
Base-Backbone interact. energy: -0.659
local terms energy: -33.988502
where:
bonds (distance) C4'-P energy: -5.400
bonds (distance) P-C4' energy: -7.307
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: 3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 281
Temperature: 2.383333
Total energy: -41.251567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.251567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.251567 (E_RNA)
where:
Base-Base interactions energy: -10.682
where: short stacking energy: -10.682
Base-Backbone interact. energy: -0.155
local terms energy: -30.413915
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -9.142
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -3.312
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: 4, replica: 7
=====================================
Write number: 281
Temperature: 2.400000
Total energy: -37.480899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.480899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.480899 (E_RNA)
where:
Base-Base interactions energy: -2.594
where: short stacking energy: -2.131
Base-Backbone interact. energy: -0.340
local terms energy: -34.546906
where:
bonds (distance) C4'-P energy: -8.680
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -9.672
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: 9.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 281
Temperature: 2.416667
Total energy: -41.037004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.037004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.037004 (E_RNA)
where:
Base-Base interactions energy: -8.705
where: short stacking energy: -8.047
Base-Backbone interact. energy: -0.123
local terms energy: -32.208551
where:
bonds (distance) C4'-P energy: -8.725
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -8.353
flat angles P-C4'-P energy: -4.441
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: 6
=====================================
Write number: 281
Temperature: 2.433333
Total energy: -40.608254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.608254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.608254 (E_RNA)
where:
Base-Base interactions energy: -10.418
where: short stacking energy: -10.418
Base-Backbone interact. energy: 1.330
local terms energy: -31.519720
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: 0.995
flat angles P-C4'-P energy: -4.886
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: 7, replica: 4
=====================================
Write number: 281
Temperature: 2.450000
Total energy: -36.502655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.502655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.502655 (E_RNA)
where:
Base-Base interactions energy: -7.804
where: short stacking energy: -7.432
Base-Backbone interact. energy: -0.257
local terms energy: -28.441839
where:
bonds (distance) C4'-P energy: -8.646
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -2.984
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: 4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 281
Temperature: 2.466667
Total energy: -37.131517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.131517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.131517 (E_RNA)
where:
Base-Base interactions energy: -5.798
where: short stacking energy: -5.798
Base-Backbone interact. energy: 2.680
local terms energy: -34.013362
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -8.031
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: 8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 281
Temperature: 2.483333
Total energy: -39.550294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.550294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.550294 (E_RNA)
where:
Base-Base interactions energy: -9.275
where: short stacking energy: -8.150
Base-Backbone interact. energy: -0.104
local terms energy: -30.170495
where:
bonds (distance) C4'-P energy: -9.340
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -7.688
flat angles P-C4'-P energy: -7.008
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: 10, replica: 9
=====================================
Write number: 281
Temperature: 2.500000
Total energy: -38.842997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.842997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.842997 (E_RNA)
where:
Base-Base interactions energy: -10.775
where: short stacking energy: -5.447
Base-Backbone interact. energy: -0.626
local terms energy: -27.441068
where:
bonds (distance) C4'-P energy: -9.564
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -8.808
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: 8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 282
Temperature: 2.350000
Total energy: -40.094179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.094179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.094179 (E_RNA)
where:
Base-Base interactions energy: -10.534
where: short stacking energy: -5.193
Base-Backbone interact. energy: 2.374
local terms energy: -31.934086
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -6.830
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: 7.236
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: 1
=====================================
Write number: 282
Temperature: 2.366667
Total energy: -37.905411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.905411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.905411 (E_RNA)
where:
Base-Base interactions energy: -9.911
where: short stacking energy: -9.215
Base-Backbone interact. energy: -0.348
local terms energy: -27.645595
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: 3.850
tors. eta vs tors. theta energy: 8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 282
Temperature: 2.383333
Total energy: -41.488085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.488085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.488085 (E_RNA)
where:
Base-Base interactions energy: -5.570
where: short stacking energy: -4.218
Base-Backbone interact. energy: 3.515
local terms energy: -39.433547
where:
bonds (distance) C4'-P energy: -8.991
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -7.857
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: 3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 282
Temperature: 2.400000
Total energy: -36.312398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.312398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.312398 (E_RNA)
where:
Base-Base interactions energy: -2.506
where: short stacking energy: -1.836
Base-Backbone interact. energy: -0.151
local terms energy: -33.654560
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -1.776
tors. eta vs tors. theta energy: 8.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 282
Temperature: 2.416667
Total energy: -36.392743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.392743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.392743 (E_RNA)
where:
Base-Base interactions energy: -10.431
where: short stacking energy: -6.262
Base-Backbone interact. energy: -0.385
local terms energy: -25.576739
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -6.807
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -3.597
tors. eta vs tors. theta energy: 8.842
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: 10
=====================================
Write number: 282
Temperature: 2.433333
Total energy: -37.465074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.465074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.465074 (E_RNA)
where:
Base-Base interactions energy: -1.945
where: short stacking energy: -1.945
Base-Backbone interact. energy: 0.137
local terms energy: -35.657398
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: 7.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 282
Temperature: 2.450000
Total energy: -37.172559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.172559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.172559 (E_RNA)
where:
Base-Base interactions energy: -3.612
where: short stacking energy: -3.390
Base-Backbone interact. energy: 0.617
local terms energy: -34.177899
where:
bonds (distance) C4'-P energy: -7.416
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -7.189
flat angles P-C4'-P energy: -10.738
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: 8, replica: 4
=====================================
Write number: 282
Temperature: 2.466667
Total energy: -33.332438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.332438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.332438 (E_RNA)
where:
Base-Base interactions energy: -19.658
where: short stacking energy: -18.543
Base-Backbone interact. energy: -0.694
local terms energy: -12.981094
where:
bonds (distance) C4'-P energy: -7.541
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -7.752
flat angles P-C4'-P energy: 2.124
tors. eta vs tors. theta energy: 9.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 282
Temperature: 2.483333
Total energy: -38.336574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.336574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.336574 (E_RNA)
where:
Base-Base interactions energy: -8.394
where: short stacking energy: -8.394
Base-Backbone interact. energy: -0.736
local terms energy: -29.205977
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -1.657
tors. eta vs tors. theta energy: 6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 282
Temperature: 2.500000
Total energy: -37.536202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.536202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.536202 (E_RNA)
where:
Base-Base interactions energy: -14.418
where: short stacking energy: -11.478
Base-Backbone interact. energy: -0.418
local terms energy: -22.699677
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -6.542
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -2.577
tors. eta vs tors. theta energy: 6.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 283
Temperature: 2.350000
Total energy: -36.641553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.641553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.641553 (E_RNA)
where:
Base-Base interactions energy: -9.812
where: short stacking energy: -8.533
Base-Backbone interact. energy: 2.334
local terms energy: -29.164131
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -0.361
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: 2, replica: 7
=====================================
Write number: 283
Temperature: 2.366667
Total energy: -36.067829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.067829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.067829 (E_RNA)
where:
Base-Base interactions energy: -8.005
where: short stacking energy: -8.005
Base-Backbone interact. energy: 2.396
local terms energy: -30.459384
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -5.450
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: 7.134
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: 283
Temperature: 2.383333
Total energy: -40.266109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.266109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.266109 (E_RNA)
where:
Base-Base interactions energy: -4.103
where: short stacking energy: -3.836
Base-Backbone interact. energy: -0.163
local terms energy: -36.000555
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: 10.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 283
Temperature: 2.400000
Total energy: -38.937304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.937304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.937304 (E_RNA)
where:
Base-Base interactions energy: -5.362
where: short stacking energy: -3.849
Base-Backbone interact. energy: 0.936
local terms energy: -34.511772
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -7.533
flat angles C4'-P-C4' energy: -8.112
flat angles P-C4'-P energy: -5.635
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: 5, replica: 2
=====================================
Write number: 283
Temperature: 2.416667
Total energy: -36.864195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.864195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.864195 (E_RNA)
where:
Base-Base interactions energy: -9.797
where: short stacking energy: -9.648
Base-Backbone interact. energy: -0.134
local terms energy: -26.933832
where:
bonds (distance) C4'-P energy: -8.414
bonds (distance) P-C4' energy: -7.677
flat angles C4'-P-C4' energy: -6.236
flat angles P-C4'-P energy: -4.718
tors. eta vs tors. theta energy: 0.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 283
Temperature: 2.433333
Total energy: -43.297019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.297019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.297019 (E_RNA)
where:
Base-Base interactions energy: -9.780
where: short stacking energy: -7.425
Base-Backbone interact. energy: 0.678
local terms energy: -34.195069
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: 5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 283
Temperature: 2.450000
Total energy: -38.119743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.119743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.119743 (E_RNA)
where:
Base-Base interactions energy: -9.043
where: short stacking energy: -8.981
Base-Backbone interact. energy: -0.192
local terms energy: -28.884605
where:
bonds (distance) C4'-P energy: -3.831
bonds (distance) P-C4' energy: -8.354
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -6.843
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: 8, replica: 9
=====================================
Write number: 283
Temperature: 2.466667
Total energy: -38.240215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.240215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.240215 (E_RNA)
where:
Base-Base interactions energy: -5.588
where: short stacking energy: -5.529
Base-Backbone interact. energy: -0.523
local terms energy: -32.129611
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -10.101
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -2.189
tors. eta vs tors. theta energy: 4.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 283
Temperature: 2.483333
Total energy: -38.008333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.008333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.008333 (E_RNA)
where:
Base-Base interactions energy: -7.030
where: short stacking energy: -4.111
Base-Backbone interact. energy: 1.184
local terms energy: -32.162726
where:
bonds (distance) C4'-P energy: -7.930
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: 7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 283
Temperature: 2.500000
Total energy: -36.460443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.460443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.460443 (E_RNA)
where:
Base-Base interactions energy: 0.015
where: short stacking energy: -0.666
Base-Backbone interact. energy: -0.146
local terms energy: -36.329368
where:
bonds (distance) C4'-P energy: -9.167
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -4.315
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: 1, replica: 7
=====================================
Write number: 284
Temperature: 2.350000
Total energy: -40.442562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.442562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.442562 (E_RNA)
where:
Base-Base interactions energy: -12.516
where: short stacking energy: -8.141
Base-Backbone interact. energy: -0.490
local terms energy: -27.437038
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -1.860
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: 8.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 284
Temperature: 2.366667
Total energy: -33.921673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.921673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.921673 (E_RNA)
where:
Base-Base interactions energy: -4.869
where: short stacking energy: -4.396
Base-Backbone interact. energy: -0.309
local terms energy: -28.743839
where:
bonds (distance) C4'-P energy: -7.890
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -7.624
flat angles P-C4'-P energy: -2.468
tors. eta vs tors. theta energy: 8.068
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: 6
=====================================
Write number: 284
Temperature: 2.383333
Total energy: -38.647833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.647833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.647833 (E_RNA)
where:
Base-Base interactions energy: -5.184
where: short stacking energy: -2.421
Base-Backbone interact. energy: -0.296
local terms energy: -33.167606
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -6.163
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: 7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 284
Temperature: 2.400000
Total energy: -35.384281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.384281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.384281 (E_RNA)
where:
Base-Base interactions energy: -6.484
where: short stacking energy: -5.960
Base-Backbone interact. energy: 0.335
local terms energy: -29.235511
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -7.196
flat angles P-C4'-P energy: -0.827
tors. eta vs tors. theta energy: 3.374
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: 284
Temperature: 2.416667
Total energy: -45.652274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.652274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.652274 (E_RNA)
where:
Base-Base interactions energy: -2.329
where: short stacking energy: -1.670
Base-Backbone interact. energy: -0.259
local terms energy: -43.064257
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: 10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 284
Temperature: 2.433333
Total energy: -32.714645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.714645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.714645 (E_RNA)
where:
Base-Base interactions energy: -5.949
where: short stacking energy: -5.949
Base-Backbone interact. energy: -0.438
local terms energy: -26.327929
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -8.159
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: 8.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 284
Temperature: 2.450000
Total energy: -40.812858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.812858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.812858 (E_RNA)
where:
Base-Base interactions energy: -0.910
where: short stacking energy: -0.610
Base-Backbone interact. energy: -0.210
local terms energy: -39.692423
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: 11.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 2.466667
Total energy: -40.198982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.198982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.198982 (E_RNA)
where:
Base-Base interactions energy: -8.958
where: short stacking energy: -8.958
Base-Backbone interact. energy: 0.513
local terms energy: -31.754118
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -10.502
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: 0.401
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: 9, replica: 5
=====================================
Write number: 284
Temperature: 2.483333
Total energy: -35.228848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.228848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.228848 (E_RNA)
where:
Base-Base interactions energy: -2.080
where: short stacking energy: -1.033
Base-Backbone interact. energy: -0.189
local terms energy: -32.960320
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: 0.128
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: 6.166
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: 4
=====================================
Write number: 284
Temperature: 2.500000
Total energy: -40.601870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.601870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.601870 (E_RNA)
where:
Base-Base interactions energy: -7.729
where: short stacking energy: -6.470
Base-Backbone interact. energy: -0.219
local terms energy: -32.654389
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -0.752
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: 7
=====================================
Write number: 285
Temperature: 2.350000
Total energy: -44.310227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.310227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.310227 (E_RNA)
where:
Base-Base interactions energy: -9.359
where: short stacking energy: -8.444
Base-Backbone interact. energy: 3.414
local terms energy: -38.364647
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -6.961
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: 4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 285
Temperature: 2.366667
Total energy: -39.667962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.667962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.667962 (E_RNA)
where:
Base-Base interactions energy: -11.625
where: short stacking energy: -9.226
Base-Backbone interact. energy: -0.147
local terms energy: -27.896078
where:
bonds (distance) C4'-P energy: -8.026
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -6.330
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: 5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 285
Temperature: 2.383333
Total energy: -45.833819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.833819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.833819 (E_RNA)
where:
Base-Base interactions energy: -13.330
where: short stacking energy: -10.996
Base-Backbone interact. energy: 1.548
local terms energy: -34.052036
where:
bonds (distance) C4'-P energy: -7.466
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -5.989
flat angles P-C4'-P energy: -11.747
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: 4, replica: 8
=====================================
Write number: 285
Temperature: 2.400000
Total energy: -41.659703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.659703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.659703 (E_RNA)
where:
Base-Base interactions energy: -3.098
where: short stacking energy: -2.631
Base-Backbone interact. energy: -0.010
local terms energy: -38.552273
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: 2.527
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: 5, replica: 1
=====================================
Write number: 285
Temperature: 2.416667
Total energy: -42.809667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.809667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.809667 (E_RNA)
where:
Base-Base interactions energy: -3.778
where: short stacking energy: -2.039
Base-Backbone interact. energy: -0.389
local terms energy: -38.642589
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -4.976
tors. eta vs tors. theta energy: 5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 285
Temperature: 2.433333
Total energy: -38.419587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.419587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.419587 (E_RNA)
where:
Base-Base interactions energy: -11.539
where: short stacking energy: -9.659
Base-Backbone interact. energy: 5.087
local terms energy: -31.966760
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -7.800
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: 6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 285
Temperature: 2.450000
Total energy: -43.541579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.541579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.541579 (E_RNA)
where:
Base-Base interactions energy: -8.743
where: short stacking energy: -8.743
Base-Backbone interact. energy: 1.441
local terms energy: -36.239786
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -4.092
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 285
Temperature: 2.466667
Total energy: -34.031316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.031316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.031316 (E_RNA)
where:
Base-Base interactions energy: -5.914
where: short stacking energy: -5.860
Base-Backbone interact. energy: 0.273
local terms energy: -28.390637
where:
bonds (distance) C4'-P energy: -4.796
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -6.811
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: 7.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 2.483333
Total energy: -35.095512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.095512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.095512 (E_RNA)
where:
Base-Base interactions energy: -12.794
where: short stacking energy: -10.169
Base-Backbone interact. energy: 1.092
local terms energy: -23.393641
where:
bonds (distance) C4'-P energy: -3.251
bonds (distance) P-C4' energy: -9.776
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -4.242
tors. eta vs tors. theta energy: 5.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 285
Temperature: 2.500000
Total energy: -37.067269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.067269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.067269 (E_RNA)
where:
Base-Base interactions energy: -7.656
where: short stacking energy: -5.602
Base-Backbone interact. energy: 0.079
local terms energy: -29.490624
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: 6.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 286
Temperature: 2.350000
Total energy: -41.354895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.354895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.354895 (E_RNA)
where:
Base-Base interactions energy: -3.907
where: short stacking energy: -3.731
Base-Backbone interact. energy: -1.580
local terms energy: -35.868167
where:
bonds (distance) C4'-P energy: -8.012
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -9.476
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: 7
=====================================
Write number: 286
Temperature: 2.366667
Total energy: -44.502747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.502747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.502747 (E_RNA)
where:
Base-Base interactions energy: -17.297
where: short stacking energy: -13.651
Base-Backbone interact. energy: 0.469
local terms energy: -27.674205
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -1.782
flat angles P-C4'-P energy: -1.580
tors. eta vs tors. theta energy: -0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 286
Temperature: 2.383333
Total energy: -37.586361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.586361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.586361 (E_RNA)
where:
Base-Base interactions energy: -9.255
where: short stacking energy: -8.549
Base-Backbone interact. energy: -0.256
local terms energy: -28.074899
where:
bonds (distance) C4'-P energy: -9.015
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -3.532
tors. eta vs tors. theta energy: 10.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 286
Temperature: 2.400000
Total energy: -47.187550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.187550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.187550 (E_RNA)
where:
Base-Base interactions energy: -15.627
where: short stacking energy: -15.627
Base-Backbone interact. energy: -0.621
local terms energy: -30.939709
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -5.027
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: 3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 286
Temperature: 2.416667
Total energy: -41.993111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.993111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.993111 (E_RNA)
where:
Base-Base interactions energy: -11.006
where: short stacking energy: -7.233
Base-Backbone interact. energy: -0.657
local terms energy: -30.329787
where:
bonds (distance) C4'-P energy: -8.205
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: 11.603
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: 1
=====================================
Write number: 286
Temperature: 2.433333
Total energy: -35.170668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.170668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.170668 (E_RNA)
where:
Base-Base interactions energy: -5.365
where: short stacking energy: -5.041
Base-Backbone interact. energy: -0.034
local terms energy: -29.771794
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -6.408
flat angles P-C4'-P energy: -3.296
tors. eta vs tors. theta energy: 8.349
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: 5
=====================================
Write number: 286
Temperature: 2.450000
Total energy: -38.226533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.226533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.226533 (E_RNA)
where:
Base-Base interactions energy: -4.888
where: short stacking energy: -4.862
Base-Backbone interact. energy: -0.202
local terms energy: -33.137383
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: 0.658
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: 8, replica: 2
=====================================
Write number: 286
Temperature: 2.466667
Total energy: -37.841511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.841511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.841511 (E_RNA)
where:
Base-Base interactions energy: -6.335
where: short stacking energy: -5.467
Base-Backbone interact. energy: 0.078
local terms energy: -31.585130
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -7.268
flat angles P-C4'-P energy: -1.553
tors. eta vs tors. theta energy: 9.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 286
Temperature: 2.483333
Total energy: -35.392015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.392015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.392015 (E_RNA)
where:
Base-Base interactions energy: -9.274
where: short stacking energy: -8.560
Base-Backbone interact. energy: 1.721
local terms energy: -27.838489
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: 2.329
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: 4.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 2.500000
Total energy: -35.818576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.818576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.818576 (E_RNA)
where:
Base-Base interactions energy: -3.109
where: short stacking energy: -2.961
Base-Backbone interact. energy: -0.515
local terms energy: -32.193878
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -8.781
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: 10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 287
Temperature: 2.350000
Total energy: -33.115899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.115899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.115899 (E_RNA)
where:
Base-Base interactions energy: -6.608
where: short stacking energy: -5.377
Base-Backbone interact. energy: -0.041
local terms energy: -26.466958
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -9.253
flat angles P-C4'-P energy: 4.170
tors. eta vs tors. theta energy: 5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 287
Temperature: 2.366667
Total energy: -40.313956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.313956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.313956 (E_RNA)
where:
Base-Base interactions energy: -0.948
where: short stacking energy: -0.948
Base-Backbone interact. energy: -0.316
local terms energy: -39.050285
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -4.994
tors. eta vs tors. theta energy: 7.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 287
Temperature: 2.383333
Total energy: -36.128351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.128351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.128351 (E_RNA)
where:
Base-Base interactions energy: -8.375
where: short stacking energy: -8.012
Base-Backbone interact. energy: -0.319
local terms energy: -27.433636
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -8.010
flat angles C4'-P-C4' energy: -4.528
flat angles P-C4'-P energy: -4.397
tors. eta vs tors. theta energy: 6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 287
Temperature: 2.400000
Total energy: -44.538693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.538693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.538693 (E_RNA)
where:
Base-Base interactions energy: -3.444
where: short stacking energy: -3.444
Base-Backbone interact. energy: -0.217
local terms energy: -40.877492
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -2.644
tors. eta vs tors. theta energy: 8.385
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: 3
=====================================
Write number: 287
Temperature: 2.416667
Total energy: -43.092072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.092072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.092072 (E_RNA)
where:
Base-Base interactions energy: -8.460
where: short stacking energy: -4.089
Base-Backbone interact. energy: -0.197
local terms energy: -34.435076
where:
bonds (distance) C4'-P energy: -8.039
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -2.736
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: 6, replica: 5
=====================================
Write number: 287
Temperature: 2.433333
Total energy: -39.825812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.825812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.825812 (E_RNA)
where:
Base-Base interactions energy: -7.129
where: short stacking energy: -5.563
Base-Backbone interact. energy: -0.601
local terms energy: -32.096109
where:
bonds (distance) C4'-P energy: -9.322
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: 8.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 287
Temperature: 2.450000
Total energy: -31.709728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.709728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.709728 (E_RNA)
where:
Base-Base interactions energy: -7.225
where: short stacking energy: -6.966
Base-Backbone interact. energy: -0.119
local terms energy: -24.365044
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -1.980
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: 8.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 287
Temperature: 2.466667
Total energy: -40.067481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.067481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.067481 (E_RNA)
where:
Base-Base interactions energy: -12.457
where: short stacking energy: -11.496
Base-Backbone interact. energy: -0.454
local terms energy: -27.156625
where:
bonds (distance) C4'-P energy: -6.258
bonds (distance) P-C4' energy: -10.330
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: 7.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 287
Temperature: 2.483333
Total energy: -38.316252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.316252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.316252 (E_RNA)
where:
Base-Base interactions energy: -8.609
where: short stacking energy: -5.063
Base-Backbone interact. energy: -0.069
local terms energy: -29.638281
where:
bonds (distance) C4'-P energy: -3.876
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -8.718
flat angles P-C4'-P energy: -9.788
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: 10, replica: 10
=====================================
Write number: 287
Temperature: 2.500000
Total energy: -36.017132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.017132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.017132 (E_RNA)
where:
Base-Base interactions energy: -7.734
where: short stacking energy: -6.326
Base-Backbone interact. energy: -0.126
local terms energy: -28.156758
where:
bonds (distance) C4'-P energy: -6.796
bonds (distance) P-C4' energy: -9.128
flat angles C4'-P-C4' energy: -8.938
flat angles P-C4'-P energy: -7.872
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: 1, replica: 8
=====================================
Write number: 288
Temperature: 2.350000
Total energy: -41.971293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.971293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.971293 (E_RNA)
where:
Base-Base interactions energy: -13.085
where: short stacking energy: -11.606
Base-Backbone interact. energy: 1.495
local terms energy: -30.381343
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -8.590
flat angles P-C4'-P energy: 1.326
tors. eta vs tors. theta energy: 3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 288
Temperature: 2.366667
Total energy: -39.365018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.365018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.365018 (E_RNA)
where:
Base-Base interactions energy: -6.071
where: short stacking energy: -5.752
Base-Backbone interact. energy: -0.476
local terms energy: -32.818496
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -4.130
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: 8.609
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: 3, replica: 9
=====================================
Write number: 288
Temperature: 2.383333
Total energy: -32.642731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.642731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.642731 (E_RNA)
where:
Base-Base interactions energy: -5.429
where: short stacking energy: -4.304
Base-Backbone interact. energy: -0.059
local terms energy: -27.154304
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -4.462
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: 11.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 288
Temperature: 2.400000
Total energy: -32.602767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.602767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.602767 (E_RNA)
where:
Base-Base interactions energy: -1.327
where: short stacking energy: -1.301
Base-Backbone interact. energy: -0.621
local terms energy: -30.655557
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -7.260
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: 8.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 2.416667
Total energy: -43.321253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.321253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.321253 (E_RNA)
where:
Base-Base interactions energy: -7.317
where: short stacking energy: -2.924
Base-Backbone interact. energy: -0.166
local terms energy: -35.838052
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -5.856
flat angles P-C4'-P energy: -5.910
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: 6, replica: 3
=====================================
Write number: 288
Temperature: 2.433333
Total energy: -41.414463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.414463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.414463 (E_RNA)
where:
Base-Base interactions energy: -18.636
where: short stacking energy: -15.822
Base-Backbone interact. energy: 0.469
local terms energy: -23.247367
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -7.645
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -4.102
tors. eta vs tors. theta energy: 9.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 288
Temperature: 2.450000
Total energy: -30.137922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.137922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.137922 (E_RNA)
where:
Base-Base interactions energy: -2.197
where: short stacking energy: -2.007
Base-Backbone interact. energy: 1.057
local terms energy: -28.998684
where:
bonds (distance) C4'-P energy: -4.983
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -9.408
flat angles P-C4'-P energy: -7.497
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: 8, replica: 1
=====================================
Write number: 288
Temperature: 2.466667
Total energy: -42.327947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.327947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.327947 (E_RNA)
where:
Base-Base interactions energy: -3.033
where: short stacking energy: 0.182
Base-Backbone interact. energy: -0.358
local terms energy: -38.937009
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: 10.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 288
Temperature: 2.483333
Total energy: -35.405762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.405762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.405762 (E_RNA)
where:
Base-Base interactions energy: -8.378
where: short stacking energy: -6.492
Base-Backbone interact. energy: -0.368
local terms energy: -26.659474
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -1.384
tors. eta vs tors. theta energy: 9.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 288
Temperature: 2.500000
Total energy: -37.039654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.039654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.039654 (E_RNA)
where:
Base-Base interactions energy: -5.584
where: short stacking energy: -2.589
Base-Backbone interact. energy: -0.351
local terms energy: -31.104979
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -4.437
tors. eta vs tors. theta energy: 12.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 289
Temperature: 2.350000
Total energy: -34.626799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.626799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.626799 (E_RNA)
where:
Base-Base interactions energy: -6.599
where: short stacking energy: -4.940
Base-Backbone interact. energy: -0.386
local terms energy: -27.641773
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -3.472
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: 7.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 289
Temperature: 2.366667
Total energy: -43.043480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.043480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.043480 (E_RNA)
where:
Base-Base interactions energy: -2.425
where: short stacking energy: -2.458
Base-Backbone interact. energy: -0.894
local terms energy: -39.724144
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: 7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 289
Temperature: 2.383333
Total energy: -36.196651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.196651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.196651 (E_RNA)
where:
Base-Base interactions energy: -13.347
where: short stacking energy: -10.704
Base-Backbone interact. energy: 0.941
local terms energy: -23.790127
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -6.012
flat angles C4'-P-C4' energy: -7.080
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: 9.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 289
Temperature: 2.400000
Total energy: -43.434190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.434190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.434190 (E_RNA)
where:
Base-Base interactions energy: -10.210
where: short stacking energy: -8.578
Base-Backbone interact. energy: -0.554
local terms energy: -32.669602
where:
bonds (distance) C4'-P energy: -7.181
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -7.635
flat angles P-C4'-P energy: -1.722
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: 5, replica: 7
=====================================
Write number: 289
Temperature: 2.416667
Total energy: -35.487253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.487253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.487253 (E_RNA)
where:
Base-Base interactions energy: -2.646
where: short stacking energy: -2.362
Base-Backbone interact. energy: 1.302
local terms energy: -34.142292
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -1.558
tors. eta vs tors. theta energy: 8.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 289
Temperature: 2.433333
Total energy: -34.608860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.608860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.608860 (E_RNA)
where:
Base-Base interactions energy: -4.195
where: short stacking energy: -2.725
Base-Backbone interact. energy: 3.734
local terms energy: -34.146947
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: 13.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 289
Temperature: 2.450000
Total energy: -38.411363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.411363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.411363 (E_RNA)
where:
Base-Base interactions energy: -4.227
where: short stacking energy: -3.926
Base-Backbone interact. energy: 0.344
local terms energy: -34.528003
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -0.242
flat angles P-C4'-P energy: -4.364
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: 8, replica: 10
=====================================
Write number: 289
Temperature: 2.466667
Total energy: -36.417911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.417911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.417911 (E_RNA)
where:
Base-Base interactions energy: -5.664
where: short stacking energy: -2.618
Base-Backbone interact. energy: -0.121
local terms energy: -30.632866
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -4.099
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -3.857
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: 9, replica: 1
=====================================
Write number: 289
Temperature: 2.483333
Total energy: -32.846973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.846973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.846973 (E_RNA)
where:
Base-Base interactions energy: -8.316
where: short stacking energy: -4.077
Base-Backbone interact. energy: -0.007
local terms energy: -24.523836
where:
bonds (distance) C4'-P energy: -4.780
bonds (distance) P-C4' energy: -18.348
flat angles C4'-P-C4' energy: -7.978
flat angles P-C4'-P energy: -5.615
tors. eta vs tors. theta energy: 12.197
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: 289
Temperature: 2.500000
Total energy: -32.789218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.789218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.789218 (E_RNA)
where:
Base-Base interactions energy: -11.412
where: short stacking energy: -4.474
Base-Backbone interact. energy: -0.378
local terms energy: -20.998566
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -5.219
flat angles P-C4'-P energy: 4.853
tors. eta vs tors. theta energy: 5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 290
Temperature: 2.350000
Total energy: -44.555118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.555118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.555118 (E_RNA)
where:
Base-Base interactions energy: -14.584
where: short stacking energy: -13.893
Base-Backbone interact. energy: 0.237
local terms energy: -30.207574
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -8.896
flat angles P-C4'-P energy: 0.742
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: 2, replica: 8
=====================================
Write number: 290
Temperature: 2.366667
Total energy: -44.193788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.193788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.193788 (E_RNA)
where:
Base-Base interactions energy: -12.320
where: short stacking energy: -10.475
Base-Backbone interact. energy: -0.581
local terms energy: -31.293112
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: 6.221
tors. eta vs tors. theta energy: 3.334
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: 290
Temperature: 2.383333
Total energy: -42.695686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.695686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.695686 (E_RNA)
where:
Base-Base interactions energy: -13.401
where: short stacking energy: -12.253
Base-Backbone interact. energy: -0.091
local terms energy: -29.204533
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -0.768
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: 4, replica: 6
=====================================
Write number: 290
Temperature: 2.400000
Total energy: -37.215939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.215939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.215939 (E_RNA)
where:
Base-Base interactions energy: -8.534
where: short stacking energy: -4.726
Base-Backbone interact. energy: -0.605
local terms energy: -28.077576
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -0.730
tors. eta vs tors. theta energy: 11.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 290
Temperature: 2.416667
Total energy: -44.080232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.080232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.080232 (E_RNA)
where:
Base-Base interactions energy: -5.063
where: short stacking energy: -5.063
Base-Backbone interact. energy: -0.280
local terms energy: -38.737684
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: 0.074
tors. eta vs tors. theta energy: 4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 290
Temperature: 2.433333
Total energy: -35.149503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.149503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.149503 (E_RNA)
where:
Base-Base interactions energy: -2.579
where: short stacking energy: -2.579
Base-Backbone interact. energy: -0.595
local terms energy: -31.975458
where:
bonds (distance) C4'-P energy: -7.626
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: 11.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 290
Temperature: 2.450000
Total energy: -34.336252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.336252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.336252 (E_RNA)
where:
Base-Base interactions energy: -12.558
where: short stacking energy: -7.189
Base-Backbone interact. energy: 0.980
local terms energy: -22.758020
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -5.605
flat angles P-C4'-P energy: -0.794
tors. eta vs tors. theta energy: 6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 290
Temperature: 2.466667
Total energy: -42.484663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.484663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.484663 (E_RNA)
where:
Base-Base interactions energy: -4.851
where: short stacking energy: -4.565
Base-Backbone interact. energy: 0.035
local terms energy: -37.668981
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -7.903
flat angles C4'-P-C4' energy: -9.064
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: 3.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 290
Temperature: 2.483333
Total energy: -30.116224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.116224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.116224 (E_RNA)
where:
Base-Base interactions energy: -6.997
where: short stacking energy: -6.580
Base-Backbone interact. energy: -0.042
local terms energy: -23.077199
where:
bonds (distance) C4'-P energy: -7.528
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -0.675
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: 7.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 290
Temperature: 2.500000
Total energy: -36.356122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.356122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.356122 (E_RNA)
where:
Base-Base interactions energy: -4.820
where: short stacking energy: -2.126
Base-Backbone interact. energy: -0.178
local terms energy: -31.357891
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -3.568
tors. eta vs tors. theta energy: 9.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 2.350000
Total energy: -39.218974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.218974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.218974 (E_RNA)
where:
Base-Base interactions energy: -7.395
where: short stacking energy: -3.575
Base-Backbone interact. energy: -1.429
local terms energy: -30.394571
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -7.241
flat angles C4'-P-C4' energy: -8.336
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: 6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 291
Temperature: 2.366667
Total energy: -40.029719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.029719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.029719 (E_RNA)
where:
Base-Base interactions energy: -9.500
where: short stacking energy: -7.555
Base-Backbone interact. energy: 0.023
local terms energy: -30.553323
where:
bonds (distance) C4'-P energy: -3.194
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -5.670
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: 3, replica: 8
=====================================
Write number: 291
Temperature: 2.383333
Total energy: -35.282732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.282732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.282732 (E_RNA)
where:
Base-Base interactions energy: -2.653
where: short stacking energy: -2.653
Base-Backbone interact. energy: 1.524
local terms energy: -34.153409
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: 8.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 291
Temperature: 2.400000
Total energy: -36.361693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.361693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.361693 (E_RNA)
where:
Base-Base interactions energy: -5.428
where: short stacking energy: -3.736
Base-Backbone interact. energy: 0.579
local terms energy: -31.512747
where:
bonds (distance) C4'-P energy: -8.718
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -2.702
tors. eta vs tors. theta energy: 6.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 291
Temperature: 2.416667
Total energy: -36.141404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.141404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.141404 (E_RNA)
where:
Base-Base interactions energy: -3.496
where: short stacking energy: -3.496
Base-Backbone interact. energy: -0.118
local terms energy: -32.527254
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -6.071
flat angles P-C4'-P energy: -3.842
tors. eta vs tors. theta energy: 8.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 2.433333
Total energy: -33.707304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.707304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.707304 (E_RNA)
where:
Base-Base interactions energy: -12.304
where: short stacking energy: -6.064
Base-Backbone interact. energy: 3.588
local terms energy: -24.990676
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -4.242
flat angles P-C4'-P energy: -2.082
tors. eta vs tors. theta energy: 9.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 291
Temperature: 2.450000
Total energy: -32.742746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.742746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.742746 (E_RNA)
where:
Base-Base interactions energy: -5.145
where: short stacking energy: -3.082
Base-Backbone interact. energy: -0.295
local terms energy: -27.302613
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -8.493
flat angles C4'-P-C4' energy: -7.695
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: 11.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 291
Temperature: 2.466667
Total energy: -35.477691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.477691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.477691 (E_RNA)
where:
Base-Base interactions energy: -11.430
where: short stacking energy: -7.625
Base-Backbone interact. energy: -0.810
local terms energy: -23.238018
where:
bonds (distance) C4'-P energy: -7.873
bonds (distance) P-C4' energy: -10.107
flat angles C4'-P-C4' energy: -7.654
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: 10.230
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: 291
Temperature: 2.483333
Total energy: -37.919799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.919799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.919799 (E_RNA)
where:
Base-Base interactions energy: -17.303
where: short stacking energy: -16.166
Base-Backbone interact. energy: 5.645
local terms energy: -26.261701
where:
bonds (distance) C4'-P energy: -4.805
bonds (distance) P-C4' energy: -10.342
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -0.517
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: 10, replica: 1
=====================================
Write number: 291
Temperature: 2.500000
Total energy: -40.950552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.950552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.950552 (E_RNA)
where:
Base-Base interactions energy: -11.883
where: short stacking energy: -9.077
Base-Backbone interact. energy: 1.990
local terms energy: -31.057190
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -7.147
flat angles P-C4'-P energy: -0.234
tors. eta vs tors. theta energy: 1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 292
Temperature: 2.350000
Total energy: -39.728686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.728686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.728686 (E_RNA)
where:
Base-Base interactions energy: -14.062
where: short stacking energy: -14.062
Base-Backbone interact. energy: -0.151
local terms energy: -25.515573
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -9.749
flat angles C4'-P-C4' energy: -5.593
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: 6.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 292
Temperature: 2.366667
Total energy: -40.773425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.773425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.773425 (E_RNA)
where:
Base-Base interactions energy: -9.317
where: short stacking energy: -5.173
Base-Backbone interact. energy: -0.722
local terms energy: -30.734691
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -1.925
tors. eta vs tors. theta energy: 10.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 2.383333
Total energy: -42.512085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.512085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.512085 (E_RNA)
where:
Base-Base interactions energy: -7.450
where: short stacking energy: -3.467
Base-Backbone interact. energy: 1.485
local terms energy: -36.547402
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -2.602
tors. eta vs tors. theta energy: 3.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 2.400000
Total energy: -31.233466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.233466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.233466 (E_RNA)
where:
Base-Base interactions energy: -6.324
where: short stacking energy: -6.209
Base-Backbone interact. energy: 3.279
local terms energy: -28.189285
where:
bonds (distance) C4'-P energy: -6.229
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -9.341
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: 6.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 2.416667
Total energy: -46.887324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.887324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.887324 (E_RNA)
where:
Base-Base interactions energy: -12.941
where: short stacking energy: -12.941
Base-Backbone interact. energy: -0.387
local terms energy: -33.559120
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -8.140
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: 6.415
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: 6, replica: 6
=====================================
Write number: 292
Temperature: 2.433333
Total energy: -45.137700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.137700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.137700 (E_RNA)
where:
Base-Base interactions energy: -20.110
where: short stacking energy: -18.886
Base-Backbone interact. energy: 0.134
local terms energy: -25.162395
where:
bonds (distance) C4'-P energy: -1.897
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -9.735
flat angles P-C4'-P energy: -3.113
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: 7, replica: 2
=====================================
Write number: 292
Temperature: 2.450000
Total energy: -40.020232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.020232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.020232 (E_RNA)
where:
Base-Base interactions energy: -9.674
where: short stacking energy: -6.929
Base-Backbone interact. energy: -1.422
local terms energy: -28.923903
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -7.387
flat angles P-C4'-P energy: -3.208
tors. eta vs tors. theta energy: 10.662
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: 7
=====================================
Write number: 292
Temperature: 2.466667
Total energy: -31.847978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.847978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.847978 (E_RNA)
where:
Base-Base interactions energy: -8.281
where: short stacking energy: -4.040
Base-Backbone interact. energy: -0.780
local terms energy: -22.787546
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -1.684
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: 8.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 292
Temperature: 2.483333
Total energy: -34.533942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.533942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.533942 (E_RNA)
where:
Base-Base interactions energy: -3.609
where: short stacking energy: -3.609
Base-Backbone interact. energy: -0.354
local terms energy: -30.571058
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -10.754
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -1.250
tors. eta vs tors. theta energy: 10.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 292
Temperature: 2.500000
Total energy: -36.839413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.839413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.839413 (E_RNA)
where:
Base-Base interactions energy: -2.683
where: short stacking energy: -2.552
Base-Backbone interact. energy: -0.623
local terms energy: -33.533983
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: 7.842
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: 1, replica: 5
=====================================
Write number: 293
Temperature: 2.350000
Total energy: -37.707920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.707920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.707920 (E_RNA)
where:
Base-Base interactions energy: -9.532
where: short stacking energy: -7.535
Base-Backbone interact. energy: -0.275
local terms energy: -27.901037
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -7.727
flat angles P-C4'-P energy: -1.401
tors. eta vs tors. theta energy: 8.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 293
Temperature: 2.366667
Total energy: -39.271538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.271538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.271538 (E_RNA)
where:
Base-Base interactions energy: -2.794
where: short stacking energy: -1.912
Base-Backbone interact. energy: -0.403
local terms energy: -36.074646
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -3.944
tors. eta vs tors. theta energy: 9.155
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: 9
=====================================
Write number: 293
Temperature: 2.383333
Total energy: -37.362897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.362897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.362897 (E_RNA)
where:
Base-Base interactions energy: -8.455
where: short stacking energy: -6.802
Base-Backbone interact. energy: -0.407
local terms energy: -28.501186
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -5.822
flat angles P-C4'-P energy: -3.846
tors. eta vs tors. theta energy: 7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 293
Temperature: 2.400000
Total energy: -43.005523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.005523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.005523 (E_RNA)
where:
Base-Base interactions energy: -11.354
where: short stacking energy: -11.354
Base-Backbone interact. energy: -0.054
local terms energy: -31.598071
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -9.737
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -4.833
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: 5, replica: 8
=====================================
Write number: 293
Temperature: 2.416667
Total energy: -31.454795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.454795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.454795 (E_RNA)
where:
Base-Base interactions energy: -0.045
where: short stacking energy: -0.045
Base-Backbone interact. energy: -0.053
local terms energy: -31.356727
where:
bonds (distance) C4'-P energy: -7.438
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: 6.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 293
Temperature: 2.433333
Total energy: -34.619137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.619137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.619137 (E_RNA)
where:
Base-Base interactions energy: -8.361
where: short stacking energy: -7.562
Base-Backbone interact. energy: -0.740
local terms energy: -25.517900
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -7.825
flat angles C4'-P-C4' energy: -5.924
flat angles P-C4'-P energy: -2.391
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: 7, replica: 6
=====================================
Write number: 293
Temperature: 2.450000
Total energy: -36.702334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.702334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.702334 (E_RNA)
where:
Base-Base interactions energy: -10.834
where: short stacking energy: -10.834
Base-Backbone interact. energy: 1.564
local terms energy: -27.432299
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -1.893
flat angles P-C4'-P energy: -1.853
tors. eta vs tors. theta energy: 3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 2.466667
Total energy: -32.840795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.840795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.840795 (E_RNA)
where:
Base-Base interactions energy: -5.420
where: short stacking energy: -4.971
Base-Backbone interact. energy: -0.108
local terms energy: -27.313191
where:
bonds (distance) C4'-P energy: -5.860
bonds (distance) P-C4' energy: -9.150
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: 5.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 293
Temperature: 2.483333
Total energy: -31.224396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.224396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.224396 (E_RNA)
where:
Base-Base interactions energy: -2.711
where: short stacking energy: -2.061
Base-Backbone interact. energy: 1.750
local terms energy: -30.263952
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: 3.224
tors. eta vs tors. theta energy: 5.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 293
Temperature: 2.500000
Total energy: -32.319040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.319040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.319040 (E_RNA)
where:
Base-Base interactions energy: -6.807
where: short stacking energy: -6.702
Base-Backbone interact. energy: 1.077
local terms energy: -26.589098
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -3.893
flat angles P-C4'-P energy: -1.458
tors. eta vs tors. theta energy: 10.063
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: 4
=====================================
Write number: 294
Temperature: 2.350000
Total energy: -38.107665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.107665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.107665 (E_RNA)
where:
Base-Base interactions energy: -5.869
where: short stacking energy: -2.962
Base-Backbone interact. energy: -0.391
local terms energy: -31.847117
where:
bonds (distance) C4'-P energy: -7.173
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: 7.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 294
Temperature: 2.366667
Total energy: -41.721400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.721400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.721400 (E_RNA)
where:
Base-Base interactions energy: -9.736
where: short stacking energy: -8.215
Base-Backbone interact. energy: -0.329
local terms energy: -31.655634
where:
bonds (distance) C4'-P energy: -4.922
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: 5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 294
Temperature: 2.383333
Total energy: -48.616292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.616292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.616292 (E_RNA)
where:
Base-Base interactions energy: -13.136
where: short stacking energy: -7.579
Base-Backbone interact. energy: 0.448
local terms energy: -35.927639
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -9.837
flat angles P-C4'-P energy: -2.258
tors. eta vs tors. theta energy: 5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 294
Temperature: 2.400000
Total energy: -43.327323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.327323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.327323 (E_RNA)
where:
Base-Base interactions energy: -17.817
where: short stacking energy: -13.387
Base-Backbone interact. energy: -0.677
local terms energy: -24.833129
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -8.975
flat angles C4'-P-C4' energy: -4.655
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: 7.371
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: 5, replica: 2
=====================================
Write number: 294
Temperature: 2.416667
Total energy: -37.725210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.725210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.725210 (E_RNA)
where:
Base-Base interactions energy: -7.545
where: short stacking energy: -7.645
Base-Backbone interact. energy: 1.422
local terms energy: -31.602343
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: 0.530
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: 5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 294
Temperature: 2.433333
Total energy: -37.869303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.869303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.869303 (E_RNA)
where:
Base-Base interactions energy: -4.427
where: short stacking energy: -4.427
Base-Backbone interact. energy: 1.281
local terms energy: -34.723250
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: 1.740
tors. eta vs tors. theta energy: 5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 294
Temperature: 2.450000
Total energy: -32.303233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.303233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.303233 (E_RNA)
where:
Base-Base interactions energy: -4.040
where: short stacking energy: -3.331
Base-Backbone interact. energy: -0.200
local terms energy: -28.063158
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -2.415
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: 9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 2.466667
Total energy: -41.378315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.378315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.378315 (E_RNA)
where:
Base-Base interactions energy: -11.136
where: short stacking energy: -11.136
Base-Backbone interact. energy: -0.244
local terms energy: -29.998789
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -7.803
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: 10.608
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: 3
=====================================
Write number: 294
Temperature: 2.483333
Total energy: -36.556288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.556288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.556288 (E_RNA)
where:
Base-Base interactions energy: -10.072
where: short stacking energy: -10.024
Base-Backbone interact. energy: -0.366
local terms energy: -26.117494
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -4.682
flat angles P-C4'-P energy: -5.947
tors. eta vs tors. theta energy: 8.891
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: 7
=====================================
Write number: 294
Temperature: 2.500000
Total energy: -35.087791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.087791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.087791 (E_RNA)
where:
Base-Base interactions energy: -8.262
where: short stacking energy: -6.050
Base-Backbone interact. energy: -0.410
local terms energy: -26.415583
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -0.656
flat angles P-C4'-P energy: -0.107
tors. eta vs tors. theta energy: 7.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 295
Temperature: 2.350000
Total energy: -48.229100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.229100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.229100 (E_RNA)
where:
Base-Base interactions energy: -16.284
where: short stacking energy: -14.241
Base-Backbone interact. energy: -0.695
local terms energy: -31.250038
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -1.563
flat angles P-C4'-P energy: -4.531
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: 2, replica: 10
=====================================
Write number: 295
Temperature: 2.366667
Total energy: -38.057468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.057468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.057468 (E_RNA)
where:
Base-Base interactions energy: -3.599
where: short stacking energy: -2.059
Base-Backbone interact. energy: -0.847
local terms energy: -33.611369
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -6.815
flat angles P-C4'-P energy: -6.415
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: 3, replica: 5
=====================================
Write number: 295
Temperature: 2.383333
Total energy: -36.501351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.501351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.501351 (E_RNA)
where:
Base-Base interactions energy: -8.963
where: short stacking energy: -7.285
Base-Backbone interact. energy: 0.088
local terms energy: -27.626640
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -4.376
flat angles P-C4'-P energy: -4.707
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: 4, replica: 2
=====================================
Write number: 295
Temperature: 2.400000
Total energy: -32.642011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.642011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.642011 (E_RNA)
where:
Base-Base interactions energy: -4.113
where: short stacking energy: -4.113
Base-Backbone interact. energy: 0.976
local terms energy: -29.504227
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -3.204
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: 5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 295
Temperature: 2.416667
Total energy: -36.584063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.584063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.584063 (E_RNA)
where:
Base-Base interactions energy: -6.512
where: short stacking energy: -6.415
Base-Backbone interact. energy: -0.152
local terms energy: -29.920014
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -5.606
tors. eta vs tors. theta energy: 9.412
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: 1
=====================================
Write number: 295
Temperature: 2.433333
Total energy: -36.911590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.911590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.911590 (E_RNA)
where:
Base-Base interactions energy: -4.166
where: short stacking energy: -4.166
Base-Backbone interact. energy: -0.537
local terms energy: -32.208909
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: 0.012
tors. eta vs tors. theta energy: 7.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 2.450000
Total energy: -31.929547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.929547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.929547 (E_RNA)
where:
Base-Base interactions energy: -2.278
where: short stacking energy: -2.278
Base-Backbone interact. energy: 0.168
local terms energy: -29.819803
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -9.374
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -2.081
tors. eta vs tors. theta energy: 6.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 295
Temperature: 2.466667
Total energy: -39.199809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.199809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.199809 (E_RNA)
where:
Base-Base interactions energy: -7.202
where: short stacking energy: -2.455
Base-Backbone interact. energy: -0.400
local terms energy: -31.598519
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -5.653
flat angles P-C4'-P energy: -8.251
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: 9, replica: 6
=====================================
Write number: 295
Temperature: 2.483333
Total energy: -32.888640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.888640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.888640 (E_RNA)
where:
Base-Base interactions energy: -4.159
where: short stacking energy: -4.515
Base-Backbone interact. energy: -0.214
local terms energy: -28.515368
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -4.844
flat angles P-C4'-P energy: -3.457
tors. eta vs tors. theta energy: 10.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 2.500000
Total energy: -34.851546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.851546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.851546 (E_RNA)
where:
Base-Base interactions energy: -6.142
where: short stacking energy: -6.142
Base-Backbone interact. energy: -0.217
local terms energy: -28.492207
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: 1.266
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: 1.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 296
Temperature: 2.350000
Total energy: -35.849927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.849927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.849927 (E_RNA)
where:
Base-Base interactions energy: -6.700
where: short stacking energy: -6.700
Base-Backbone interact. energy: 0.329
local terms energy: -29.478231
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -9.526
flat angles P-C4'-P energy: -3.932
tors. eta vs tors. theta energy: 12.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 296
Temperature: 2.366667
Total energy: -40.736172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.736172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.736172 (E_RNA)
where:
Base-Base interactions energy: -9.655
where: short stacking energy: -7.373
Base-Backbone interact. energy: -0.822
local terms energy: -30.259115
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -1.276
tors. eta vs tors. theta energy: 12.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 296
Temperature: 2.383333
Total energy: -38.293845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.293845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.293845 (E_RNA)
where:
Base-Base interactions energy: -11.785
where: short stacking energy: -6.958
Base-Backbone interact. energy: 0.383
local terms energy: -26.892412
where:
bonds (distance) C4'-P energy: -7.450
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -7.173
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: 4.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 296
Temperature: 2.400000
Total energy: -37.542133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.542133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.542133 (E_RNA)
where:
Base-Base interactions energy: -2.037
where: short stacking energy: -0.863
Base-Backbone interact. energy: -0.214
local terms energy: -35.291183
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -3.916
flat angles P-C4'-P energy: -4.397
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: 5, replica: 1
=====================================
Write number: 296
Temperature: 2.416667
Total energy: -32.747628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.747628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.747628 (E_RNA)
where:
Base-Base interactions energy: -9.779
where: short stacking energy: -9.779
Base-Backbone interact. energy: -0.107
local terms energy: -22.861891
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -1.967
flat angles P-C4'-P energy: -0.808
tors. eta vs tors. theta energy: 7.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 296
Temperature: 2.433333
Total energy: -47.446449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.446449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.446449 (E_RNA)
where:
Base-Base interactions energy: -10.125
where: short stacking energy: -8.801
Base-Backbone interact. energy: 3.166
local terms energy: -40.488255
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: 4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 296
Temperature: 2.450000
Total energy: -41.154601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.154601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.154601 (E_RNA)
where:
Base-Base interactions energy: -10.372
where: short stacking energy: -7.821
Base-Backbone interact. energy: -0.468
local terms energy: -30.314572
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -2.758
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: 8, replica: 8
=====================================
Write number: 296
Temperature: 2.466667
Total energy: -34.289296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.289296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.289296 (E_RNA)
where:
Base-Base interactions energy: -0.138
where: short stacking energy: -2.574
Base-Backbone interact. energy: -0.364
local terms energy: -33.787857
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -9.112
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: 10.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 2.483333
Total energy: -36.231941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.231941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.231941 (E_RNA)
where:
Base-Base interactions energy: -5.935
where: short stacking energy: -6.835
Base-Backbone interact. energy: -0.456
local terms energy: -29.840139
where:
bonds (distance) C4'-P energy: -9.987
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -7.674
flat angles P-C4'-P energy: -4.698
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: 6
=====================================
Write number: 296
Temperature: 2.500000
Total energy: -43.153917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.153917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.153917 (E_RNA)
where:
Base-Base interactions energy: -13.914
where: short stacking energy: -3.863
Base-Backbone interact. energy: -1.348
local terms energy: -27.891339
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -6.942
flat angles P-C4'-P energy: -5.168
tors. eta vs tors. theta energy: 12.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 2.350000
Total energy: -40.722672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.722672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.722672 (E_RNA)
where:
Base-Base interactions energy: -14.856
where: short stacking energy: -14.856
Base-Backbone interact. energy: -0.180
local terms energy: -25.686728
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -6.600
flat angles P-C4'-P energy: 1.117
tors. eta vs tors. theta energy: 6.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 297
Temperature: 2.366667
Total energy: -40.353353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.353353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.353353 (E_RNA)
where:
Base-Base interactions energy: -13.506
where: short stacking energy: -7.013
Base-Backbone interact. energy: 0.638
local terms energy: -27.484810
where:
bonds (distance) C4'-P energy: -8.017
bonds (distance) P-C4' energy: -10.029
flat angles C4'-P-C4' energy: -7.921
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: 6.026
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: 4
=====================================
Write number: 297
Temperature: 2.383333
Total energy: -40.302879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.302879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.302879 (E_RNA)
where:
Base-Base interactions energy: -8.035
where: short stacking energy: -6.985
Base-Backbone interact. energy: -0.359
local terms energy: -31.908634
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -6.258
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: 10.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 297
Temperature: 2.400000
Total energy: -34.026741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.026741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.026741 (E_RNA)
where:
Base-Base interactions energy: -2.897
where: short stacking energy: -2.418
Base-Backbone interact. energy: -0.198
local terms energy: -30.931599
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -0.779
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: 4.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 297
Temperature: 2.416667
Total energy: -41.016032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.016032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.016032 (E_RNA)
where:
Base-Base interactions energy: -5.684
where: short stacking energy: -4.780
Base-Backbone interact. energy: 2.199
local terms energy: -37.531037
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: 8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 2.433333
Total energy: -41.509464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.509464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.509464 (E_RNA)
where:
Base-Base interactions energy: -4.893
where: short stacking energy: -4.993
Base-Backbone interact. energy: -0.109
local terms energy: -36.506540
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -3.518
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: 3.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 297
Temperature: 2.450000
Total energy: -33.398149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.398149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.398149 (E_RNA)
where:
Base-Base interactions energy: -3.045
where: short stacking energy: -2.537
Base-Backbone interact. energy: -0.203
local terms energy: -30.150087
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -1.157
tors. eta vs tors. theta energy: 10.411
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: 7
=====================================
Write number: 297
Temperature: 2.466667
Total energy: -35.463579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.463579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.463579 (E_RNA)
where:
Base-Base interactions energy: -7.851
where: short stacking energy: -7.694
Base-Backbone interact. energy: -1.391
local terms energy: -26.221464
where:
bonds (distance) C4'-P energy: -4.705
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -8.143
flat angles P-C4'-P energy: -3.126
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: 9, replica: 8
=====================================
Write number: 297
Temperature: 2.483333
Total energy: -35.404064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.404064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.404064 (E_RNA)
where:
Base-Base interactions energy: -4.991
where: short stacking energy: -4.372
Base-Backbone interact. energy: -0.016
local terms energy: -30.396802
where:
bonds (distance) C4'-P energy: -7.380
bonds (distance) P-C4' energy: -4.652
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: 4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 2.500000
Total energy: -38.391385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.391385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.391385 (E_RNA)
where:
Base-Base interactions energy: -5.201
where: short stacking energy: -5.130
Base-Backbone interact. energy: -0.199
local terms energy: -32.991445
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -11.136
flat angles C4'-P-C4' energy: -6.035
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: 7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 2.350000
Total energy: -36.637007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.637007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.637007 (E_RNA)
where:
Base-Base interactions energy: -3.960
where: short stacking energy: -2.186
Base-Backbone interact. energy: -0.264
local terms energy: -32.413880
where:
bonds (distance) C4'-P energy: -8.673
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -3.000
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: 8.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 298
Temperature: 2.366667
Total energy: -37.717231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.717231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.717231 (E_RNA)
where:
Base-Base interactions energy: -9.614
where: short stacking energy: -9.043
Base-Backbone interact. energy: 1.906
local terms energy: -30.009487
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -6.519
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -5.393
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: 3, replica: 1
=====================================
Write number: 298
Temperature: 2.383333
Total energy: -41.317869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.317869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.317869 (E_RNA)
where:
Base-Base interactions energy: -6.364
where: short stacking energy: -6.364
Base-Backbone interact. energy: -0.172
local terms energy: -34.781340
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -8.498
flat angles P-C4'-P energy: -3.422
tors. eta vs tors. theta energy: 6.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 298
Temperature: 2.400000
Total energy: -35.006142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.006142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.006142 (E_RNA)
where:
Base-Base interactions energy: -7.939
where: short stacking energy: -7.939
Base-Backbone interact. energy: -0.415
local terms energy: -26.651847
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -7.515
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: 9.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 298
Temperature: 2.416667
Total energy: -39.675153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.675153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.675153 (E_RNA)
where:
Base-Base interactions energy: -8.433
where: short stacking energy: -3.304
Base-Backbone interact. energy: -0.937
local terms energy: -30.304730
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -8.097
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: 7.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 298
Temperature: 2.433333
Total energy: -34.525573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.525573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.525573 (E_RNA)
where:
Base-Base interactions energy: -3.502
where: short stacking energy: -1.605
Base-Backbone interact. energy: -0.374
local terms energy: -30.649239
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: 3.354
tors. eta vs tors. theta energy: 8.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 298
Temperature: 2.450000
Total energy: -35.332451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.332451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.332451 (E_RNA)
where:
Base-Base interactions energy: -6.296
where: short stacking energy: -5.178
Base-Backbone interact. energy: -1.323
local terms energy: -27.713477
where:
bonds (distance) C4'-P energy: -7.154
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -2.401
flat angles P-C4'-P energy: -4.328
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: 8, replica: 9
=====================================
Write number: 298
Temperature: 2.466667
Total energy: -39.702647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.702647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.702647 (E_RNA)
where:
Base-Base interactions energy: -17.846
where: short stacking energy: -17.846
Base-Backbone interact. energy: -0.110
local terms energy: -21.746802
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -6.924
flat angles P-C4'-P energy: 1.595
tors. eta vs tors. theta energy: 9.941
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: 9, replica: 6
=====================================
Write number: 298
Temperature: 2.483333
Total energy: -36.554120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.554120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.554120 (E_RNA)
where:
Base-Base interactions energy: -4.540
where: short stacking energy: -0.181
Base-Backbone interact. energy: 0.060
local terms energy: -32.074464
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -3.489
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: 11.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 298
Temperature: 2.500000
Total energy: -41.313359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.313359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.313359 (E_RNA)
where:
Base-Base interactions energy: -4.101
where: short stacking energy: -0.791
Base-Backbone interact. energy: 0.502
local terms energy: -37.714695
where:
bonds (distance) C4'-P energy: -11.314
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: 7.935
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: 1, replica: 2
=====================================
Write number: 299
Temperature: 2.350000
Total energy: -42.680971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.680971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.680971 (E_RNA)
where:
Base-Base interactions energy: -10.270
where: short stacking energy: -11.464
Base-Backbone interact. energy: -0.297
local terms energy: -32.114507
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -8.793
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: 6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 2.366667
Total energy: -34.378842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.378842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.378842 (E_RNA)
where:
Base-Base interactions energy: -10.521
where: short stacking energy: -3.379
Base-Backbone interact. energy: -1.044
local terms energy: -22.813386
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -7.658
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -0.834
tors. eta vs tors. theta energy: 4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 299
Temperature: 2.383333
Total energy: -39.841506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.841506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.841506 (E_RNA)
where:
Base-Base interactions energy: -4.345
where: short stacking energy: 2.896
Base-Backbone interact. energy: -0.565
local terms energy: -34.930915
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -2.165
flat angles P-C4'-P energy: -4.932
tors. eta vs tors. theta energy: 0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 299
Temperature: 2.400000
Total energy: -36.604935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.604935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.604935 (E_RNA)
where:
Base-Base interactions energy: -7.486
where: short stacking energy: -7.486
Base-Backbone interact. energy: -0.368
local terms energy: -28.751014
where:
bonds (distance) C4'-P energy: -6.633
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -0.415
tors. eta vs tors. theta energy: 5.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 299
Temperature: 2.416667
Total energy: -34.408657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.408657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.408657 (E_RNA)
where:
Base-Base interactions energy: -7.801
where: short stacking energy: -5.872
Base-Backbone interact. energy: -0.135
local terms energy: -26.472292
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -8.950
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -2.154
tors. eta vs tors. theta energy: 11.320
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: 6, replica: 7
=====================================
Write number: 299
Temperature: 2.433333
Total energy: -36.946702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.946702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.946702 (E_RNA)
where:
Base-Base interactions energy: -7.007
where: short stacking energy: -5.902
Base-Backbone interact. energy: 1.179
local terms energy: -31.118111
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -2.659
tors. eta vs tors. theta energy: 6.763
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: 299
Temperature: 2.450000
Total energy: -35.566899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.566899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.566899 (E_RNA)
where:
Base-Base interactions energy: -7.554
where: short stacking energy: -6.529
Base-Backbone interact. energy: -0.224
local terms energy: -27.789368
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -8.060
flat angles P-C4'-P energy: -2.478
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: 8, replica: 6
=====================================
Write number: 299
Temperature: 2.466667
Total energy: -42.375490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.375490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.375490 (E_RNA)
where:
Base-Base interactions energy: -12.058
where: short stacking energy: -9.160
Base-Backbone interact. energy: 0.620
local terms energy: -30.937142
where:
bonds (distance) C4'-P energy: -5.860
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -8.360
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: 6.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 299
Temperature: 2.483333
Total energy: -35.476214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.476214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.476214 (E_RNA)
where:
Base-Base interactions energy: -6.362
where: short stacking energy: -3.608
Base-Backbone interact. energy: -0.064
local terms energy: -29.050150
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -8.270
flat angles C4'-P-C4' energy: -8.900
flat angles P-C4'-P energy: 1.051
tors. eta vs tors. theta energy: 4.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 299
Temperature: 2.500000
Total energy: -34.500723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.500723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.500723 (E_RNA)
where:
Base-Base interactions energy: -5.066
where: short stacking energy: -3.192
Base-Backbone interact. energy: 1.275
local terms energy: -30.709761
where:
bonds (distance) C4'-P energy: -8.591
bonds (distance) P-C4' energy: -9.694
flat angles C4'-P-C4' energy: -5.849
flat angles P-C4'-P energy: -9.553
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: 1
=====================================
Write number: 300
Temperature: 2.350000
Total energy: -41.034931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.034931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.034931 (E_RNA)
where:
Base-Base interactions energy: -12.673
where: short stacking energy: -10.812
Base-Backbone interact. energy: -0.364
local terms energy: -27.997698
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -7.524
flat angles P-C4'-P energy: 2.409
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: 2, replica: 2
=====================================
Write number: 300
Temperature: 2.366667
Total energy: -42.641821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.641821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.641821 (E_RNA)
where:
Base-Base interactions energy: -6.115
where: short stacking energy: -4.658
Base-Backbone interact. energy: -1.009
local terms energy: -35.517681
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -8.674
flat angles P-C4'-P energy: -0.467
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: 3, replica: 3
=====================================
Write number: 300
Temperature: 2.383333
Total energy: -42.220615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.220615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.220615 (E_RNA)
where:
Base-Base interactions energy: -9.956
where: short stacking energy: -7.853
Base-Backbone interact. energy: 0.254
local terms energy: -32.518898
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -8.149
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: 4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 300
Temperature: 2.400000
Total energy: -39.126946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.126946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.126946 (E_RNA)
where:
Base-Base interactions energy: -9.562
where: short stacking energy: -9.562
Base-Backbone interact. energy: -0.075
local terms energy: -29.489475
where:
bonds (distance) C4'-P energy: -8.129
bonds (distance) P-C4' energy: -8.205
flat angles C4'-P-C4' energy: -5.742
flat angles P-C4'-P energy: -9.148
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: 5, replica: 7
=====================================
Write number: 300
Temperature: 2.416667
Total energy: -40.267197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.267197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.267197 (E_RNA)
where:
Base-Base interactions energy: -9.587
where: short stacking energy: -8.645
Base-Backbone interact. energy: 0.136
local terms energy: -30.815894
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -0.242
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: 5.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 300
Temperature: 2.433333
Total energy: -37.977947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.977947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.977947 (E_RNA)
where:
Base-Base interactions energy: -4.118
where: short stacking energy: -1.943
Base-Backbone interact. energy: 0.468
local terms energy: -34.327941
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -4.582
tors. eta vs tors. theta energy: 8.746
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: 6
=====================================
Write number: 300
Temperature: 2.450000
Total energy: -38.734276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.734276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.734276 (E_RNA)
where:
Base-Base interactions energy: -2.846
where: short stacking energy: -1.685
Base-Backbone interact. energy: -0.160
local terms energy: -35.728455
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: 10.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 300
Temperature: 2.466667
Total energy: -33.142437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.142437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.142437 (E_RNA)
where:
Base-Base interactions energy: -8.431
where: short stacking energy: -8.431
Base-Backbone interact. energy: 0.115
local terms energy: -24.827368
where:
bonds (distance) C4'-P energy: -3.248
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -4.957
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: 9, replica: 8
=====================================
Write number: 300
Temperature: 2.483333
Total energy: -35.996264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.996264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.996264 (E_RNA)
where:
Base-Base interactions energy: -8.758
where: short stacking energy: -6.033
Base-Backbone interact. energy: -1.306
local terms energy: -25.931628
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -9.507
flat angles C4'-P-C4' energy: -7.987
flat angles P-C4'-P energy: 0.074
tors. eta vs tors. theta energy: 3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 2.500000
Total energy: -40.079862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.079862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.079862 (E_RNA)
where:
Base-Base interactions energy: -10.441
where: short stacking energy: -6.504
Base-Backbone interact. energy: -0.245
local terms energy: -29.393344
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -8.916
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -3.407
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: 1, replica: 1
=====================================
Write number: 301
Temperature: 2.350000
Total energy: -43.337429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.337429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.337429 (E_RNA)
where:
Base-Base interactions energy: -5.488
where: short stacking energy: -4.749
Base-Backbone interact. energy: -0.754
local terms energy: -37.095809
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -8.162
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: 6.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 2.366667
Total energy: -36.659777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.659777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.659777 (E_RNA)
where:
Base-Base interactions energy: -1.920
where: short stacking energy: -1.920
Base-Backbone interact. energy: 1.871
local terms energy: -36.610634
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: 12.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 301
Temperature: 2.383333
Total energy: -44.288358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.288358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.288358 (E_RNA)
where:
Base-Base interactions energy: -10.341
where: short stacking energy: -10.341
Base-Backbone interact. energy: 3.564
local terms energy: -37.511031
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -4.341
flat angles P-C4'-P energy: -9.109
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: 4, replica: 7
=====================================
Write number: 301
Temperature: 2.400000
Total energy: -40.588511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.588511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.588511 (E_RNA)
where:
Base-Base interactions energy: -4.727
where: short stacking energy: -3.261
Base-Backbone interact. energy: -0.456
local terms energy: -35.405639
where:
bonds (distance) C4'-P energy: -7.901
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -4.476
tors. eta vs tors. theta energy: 6.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 2.416667
Total energy: -41.409589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.409589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.409589 (E_RNA)
where:
Base-Base interactions energy: -10.788
where: short stacking energy: -7.184
Base-Backbone interact. energy: -0.669
local terms energy: -29.952795
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -5.757
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: 9.255
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: 6
=====================================
Write number: 301
Temperature: 2.433333
Total energy: -40.214058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.214058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.214058 (E_RNA)
where:
Base-Base interactions energy: -7.203
where: short stacking energy: -7.303
Base-Backbone interact. energy: -0.178
local terms energy: -32.833027
where:
bonds (distance) C4'-P energy: -7.575
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -8.587
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: 7, replica: 4
=====================================
Write number: 301
Temperature: 2.450000
Total energy: -44.403956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.403956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.403956 (E_RNA)
where:
Base-Base interactions energy: -5.202
where: short stacking energy: -5.202
Base-Backbone interact. energy: -0.353
local terms energy: -38.848107
where:
bonds (distance) C4'-P energy: -10.301
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -5.948
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: 8, replica: 8
=====================================
Write number: 301
Temperature: 2.466667
Total energy: -40.994184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.994184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.994184 (E_RNA)
where:
Base-Base interactions energy: -8.272
where: short stacking energy: -4.319
Base-Backbone interact. energy: -0.705
local terms energy: -32.017214
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -6.140
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: 8.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 301
Temperature: 2.483333
Total energy: -35.719979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.719979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.719979 (E_RNA)
where:
Base-Base interactions energy: -13.299
where: short stacking energy: -8.987
Base-Backbone interact. energy: 0.383
local terms energy: -22.803998
where:
bonds (distance) C4'-P energy: -5.984
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -2.830
flat angles P-C4'-P energy: -3.274
tors. eta vs tors. theta energy: 4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 2.500000
Total energy: -43.360805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.360805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.360805 (E_RNA)
where:
Base-Base interactions energy: -11.269
where: short stacking energy: -10.539
Base-Backbone interact. energy: -0.321
local terms energy: -31.770788
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -7.383
flat angles P-C4'-P energy: -4.211
tors. eta vs tors. theta energy: 9.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 302
Temperature: 2.350000
Total energy: -42.574995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.574995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.574995 (E_RNA)
where:
Base-Base interactions energy: -9.498
where: short stacking energy: -9.471
Base-Backbone interact. energy: -0.303
local terms energy: -32.774592
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -0.500
flat angles P-C4'-P energy: -4.287
tors. eta vs tors. theta energy: 1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 302
Temperature: 2.366667
Total energy: -35.163731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.163731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.163731 (E_RNA)
where:
Base-Base interactions energy: -6.418
where: short stacking energy: -5.921
Base-Backbone interact. energy: -0.367
local terms energy: -28.378664
where:
bonds (distance) C4'-P energy: -9.173
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -5.336
flat angles P-C4'-P energy: -0.412
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: 3, replica: 7
=====================================
Write number: 302
Temperature: 2.383333
Total energy: -42.343492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.343492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.343492 (E_RNA)
where:
Base-Base interactions energy: -7.010
where: short stacking energy: -4.445
Base-Backbone interact. energy: -0.817
local terms energy: -34.516882
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -10.244
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: 10.063
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: 2
=====================================
Write number: 302
Temperature: 2.400000
Total energy: -34.377592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.377592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.377592 (E_RNA)
where:
Base-Base interactions energy: -12.115
where: short stacking energy: -11.467
Base-Backbone interact. energy: 0.394
local terms energy: -22.656317
where:
bonds (distance) C4'-P energy: -0.885
bonds (distance) P-C4' energy: -10.145
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: 8.618
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: 6
=====================================
Write number: 302
Temperature: 2.416667
Total energy: -41.111365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.111365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.111365 (E_RNA)
where:
Base-Base interactions energy: -4.284
where: short stacking energy: -4.264
Base-Backbone interact. energy: -0.376
local terms energy: -36.451642
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -9.378
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: 6, replica: 10
=====================================
Write number: 302
Temperature: 2.433333
Total energy: -41.428752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.428752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.428752 (E_RNA)
where:
Base-Base interactions energy: -7.206
where: short stacking energy: -7.206
Base-Backbone interact. energy: 0.292
local terms energy: -34.514119
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -9.824
flat angles P-C4'-P energy: -4.404
tors. eta vs tors. theta energy: 4.336
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: 302
Temperature: 2.450000
Total energy: -37.543854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.543854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.543854 (E_RNA)
where:
Base-Base interactions energy: -6.203
where: short stacking energy: -5.347
Base-Backbone interact. energy: 3.790
local terms energy: -35.131527
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: 11.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 302
Temperature: 2.466667
Total energy: -35.171413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.171413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.171413 (E_RNA)
where:
Base-Base interactions energy: -4.463
where: short stacking energy: -4.463
Base-Backbone interact. energy: -0.349
local terms energy: -30.359744
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: 0.076
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: 9, replica: 9
=====================================
Write number: 302
Temperature: 2.483333
Total energy: -31.438993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.438993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.438993 (E_RNA)
where:
Base-Base interactions energy: -9.333
where: short stacking energy: -9.309
Base-Backbone interact. energy: -0.363
local terms energy: -21.743037
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -9.428
flat angles C4'-P-C4' energy: -7.299
flat angles P-C4'-P energy: 2.081
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: 10, replica: 5
=====================================
Write number: 302
Temperature: 2.500000
Total energy: -37.486834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.486834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.486834 (E_RNA)
where:
Base-Base interactions energy: -9.993
where: short stacking energy: -9.993
Base-Backbone interact. energy: -0.227
local terms energy: -27.267811
where:
bonds (distance) C4'-P energy: -9.000
bonds (distance) P-C4' energy: -8.605
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -4.659
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: 1, replica: 3
=====================================
Write number: 303
Temperature: 2.350000
Total energy: -43.324942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.324942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.324942 (E_RNA)
where:
Base-Base interactions energy: -6.748
where: short stacking energy: -6.729
Base-Backbone interact. energy: -0.141
local terms energy: -36.436722
where:
bonds (distance) C4'-P energy: -7.252
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: 6.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 303
Temperature: 2.366667
Total energy: -35.681701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.681701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.681701 (E_RNA)
where:
Base-Base interactions energy: -10.834
where: short stacking energy: -7.827
Base-Backbone interact. energy: -0.689
local terms energy: -24.158825
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -4.804
flat angles P-C4'-P energy: 0.913
tors. eta vs tors. theta energy: 8.614
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: 1
=====================================
Write number: 303
Temperature: 2.383333
Total energy: -37.736464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.736464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.736464 (E_RNA)
where:
Base-Base interactions energy: -5.699
where: short stacking energy: -3.564
Base-Backbone interact. energy: -0.165
local terms energy: -31.872041
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -10.520
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: 6.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 303
Temperature: 2.400000
Total energy: -41.532615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.532615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.532615 (E_RNA)
where:
Base-Base interactions energy: -7.015
where: short stacking energy: -6.465
Base-Backbone interact. energy: 0.590
local terms energy: -35.108034
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: 7.853
tors. eta vs tors. theta energy: 5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 303
Temperature: 2.416667
Total energy: -33.138530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.138530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.138530 (E_RNA)
where:
Base-Base interactions energy: -4.809
where: short stacking energy: -4.502
Base-Backbone interact. energy: -0.234
local terms energy: -28.095241
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -9.998
flat angles C4'-P-C4' energy: -7.810
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: 6.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 303
Temperature: 2.433333
Total energy: -39.087380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.087380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.087380 (E_RNA)
where:
Base-Base interactions energy: -4.141
where: short stacking energy: -3.963
Base-Backbone interact. energy: -0.207
local terms energy: -34.739722
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -17.504
flat angles C4'-P-C4' energy: -4.336
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: 8.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 303
Temperature: 2.450000
Total energy: -39.381763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.381763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.381763 (E_RNA)
where:
Base-Base interactions energy: -21.224
where: short stacking energy: -20.260
Base-Backbone interact. energy: -0.123
local terms energy: -18.034089
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -7.957
flat angles C4'-P-C4' energy: -2.609
flat angles P-C4'-P energy: 4.446
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: 8, replica: 9
=====================================
Write number: 303
Temperature: 2.466667
Total energy: -36.047363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.047363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.047363 (E_RNA)
where:
Base-Base interactions energy: -2.523
where: short stacking energy: -2.523
Base-Backbone interact. energy: -0.329
local terms energy: -33.194677
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -7.071
flat angles P-C4'-P energy: -2.038
tors. eta vs tors. theta energy: 8.915
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: 4
=====================================
Write number: 303
Temperature: 2.483333
Total energy: -33.029295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.029295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.029295 (E_RNA)
where:
Base-Base interactions energy: -11.827
where: short stacking energy: -11.827
Base-Backbone interact. energy: -0.157
local terms energy: -21.045287
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -8.088
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: 4.132
tors. eta vs tors. theta energy: 6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 303
Temperature: 2.500000
Total energy: -42.523095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.523095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.523095 (E_RNA)
where:
Base-Base interactions energy: -3.380
where: short stacking energy: -3.315
Base-Backbone interact. energy: -0.308
local terms energy: -38.835798
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -7.965
flat angles P-C4'-P energy: -10.559
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: 1, replica: 7
=====================================
Write number: 304
Temperature: 2.350000
Total energy: -37.672705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.672705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.672705 (E_RNA)
where:
Base-Base interactions energy: -8.512
where: short stacking energy: -8.406
Base-Backbone interact. energy: -0.199
local terms energy: -28.961495
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -9.871
flat angles C4'-P-C4' energy: -5.664
flat angles P-C4'-P energy: -6.000
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: 2, replica: 3
=====================================
Write number: 304
Temperature: 2.366667
Total energy: -35.204652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.204652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.204652 (E_RNA)
where:
Base-Base interactions energy: -3.626
where: short stacking energy: -1.470
Base-Backbone interact. energy: -0.292
local terms energy: -31.286798
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -6.826
flat angles P-C4'-P energy: 1.442
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: 3, replica: 6
=====================================
Write number: 304
Temperature: 2.383333
Total energy: -39.756133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.756133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.756133 (E_RNA)
where:
Base-Base interactions energy: -7.687
where: short stacking energy: -4.617
Base-Backbone interact. energy: -0.423
local terms energy: -31.646411
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: 1.190
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: 4, replica: 1
=====================================
Write number: 304
Temperature: 2.400000
Total energy: -37.098594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.098594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.098594 (E_RNA)
where:
Base-Base interactions energy: -7.752
where: short stacking energy: -6.797
Base-Backbone interact. energy: -0.375
local terms energy: -28.972202
where:
bonds (distance) C4'-P energy: -6.750
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -0.634
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: 5, replica: 8
=====================================
Write number: 304
Temperature: 2.416667
Total energy: -40.278388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.278388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.278388 (E_RNA)
where:
Base-Base interactions energy: -7.793
where: short stacking energy: -7.416
Base-Backbone interact. energy: -0.873
local terms energy: -31.612400
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -1.052
tors. eta vs tors. theta energy: 10.623
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: 2
=====================================
Write number: 304
Temperature: 2.433333
Total energy: -39.598368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.598368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.598368 (E_RNA)
where:
Base-Base interactions energy: -11.246
where: short stacking energy: -10.367
Base-Backbone interact. energy: -0.167
local terms energy: -28.184944
where:
bonds (distance) C4'-P energy: -7.632
bonds (distance) P-C4' energy: -11.298
flat angles C4'-P-C4' energy: -7.647
flat angles P-C4'-P energy: -8.234
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: 7, replica: 9
=====================================
Write number: 304
Temperature: 2.450000
Total energy: -39.775784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.775784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.775784 (E_RNA)
where:
Base-Base interactions energy: -5.914
where: short stacking energy: -5.914
Base-Backbone interact. energy: -0.112
local terms energy: -33.749648
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -3.612
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: 0.209
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: 8, replica: 10
=====================================
Write number: 304
Temperature: 2.466667
Total energy: -33.443102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.443102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.443102 (E_RNA)
where:
Base-Base interactions energy: -16.248
where: short stacking energy: -14.325
Base-Backbone interact. energy: 1.069
local terms energy: -18.264723
where:
bonds (distance) C4'-P energy: -7.768
bonds (distance) P-C4' energy: -6.378
flat angles C4'-P-C4' energy: -5.332
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: 9.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 304
Temperature: 2.483333
Total energy: -33.640817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.640817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.640817 (E_RNA)
where:
Base-Base interactions energy: -5.694
where: short stacking energy: -2.300
Base-Backbone interact. energy: -0.106
local terms energy: -27.840104
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -4.513
flat angles P-C4'-P energy: -4.884
tors. eta vs tors. theta energy: 12.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 304
Temperature: 2.500000
Total energy: -33.283889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.283889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.283889 (E_RNA)
where:
Base-Base interactions energy: -7.511
where: short stacking energy: -7.511
Base-Backbone interact. energy: -0.808
local terms energy: -24.964940
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: 6.432
tors. eta vs tors. theta energy: 8.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 305
Temperature: 2.350000
Total energy: -43.006157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.006157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.006157 (E_RNA)
where:
Base-Base interactions energy: -11.425
where: short stacking energy: -11.725
Base-Backbone interact. energy: -0.247
local terms energy: -31.334186
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: 8.926
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: 6
=====================================
Write number: 305
Temperature: 2.366667
Total energy: -39.224633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.224633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.224633 (E_RNA)
where:
Base-Base interactions energy: -7.604
where: short stacking energy: -4.067
Base-Backbone interact. energy: 0.951
local terms energy: -32.571206
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -1.198
flat angles P-C4'-P energy: -1.743
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: 3, replica: 3
=====================================
Write number: 305
Temperature: 2.383333
Total energy: -43.970149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.970149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.970149 (E_RNA)
where:
Base-Base interactions energy: -17.288
where: short stacking energy: -12.776
Base-Backbone interact. energy: 0.276
local terms energy: -26.958196
where:
bonds (distance) C4'-P energy: -6.280
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -1.862
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: -0.260
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: 8
=====================================
Write number: 305
Temperature: 2.400000
Total energy: -36.395778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.395778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.395778 (E_RNA)
where:
Base-Base interactions energy: -8.008
where: short stacking energy: -6.250
Base-Backbone interact. energy: -0.362
local terms energy: -28.026372
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -6.862
flat angles C4'-P-C4' energy: -5.576
flat angles P-C4'-P energy: -3.372
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: 1
=====================================
Write number: 305
Temperature: 2.416667
Total energy: -36.288059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.288059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.288059 (E_RNA)
where:
Base-Base interactions energy: -6.291
where: short stacking energy: -6.291
Base-Backbone interact. energy: -0.347
local terms energy: -29.650231
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -9.428
flat angles C4'-P-C4' energy: -8.048
flat angles P-C4'-P energy: -3.731
tors. eta vs tors. theta energy: 4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 305
Temperature: 2.433333
Total energy: -37.301699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.301699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.301699 (E_RNA)
where:
Base-Base interactions energy: -14.824
where: short stacking energy: -12.684
Base-Backbone interact. energy: -0.181
local terms energy: -22.296276
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -4.169
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: 5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 305
Temperature: 2.450000
Total energy: -36.122826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.122826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.122826 (E_RNA)
where:
Base-Base interactions energy: -1.703
where: short stacking energy: 0.100
Base-Backbone interact. energy: -0.107
local terms energy: -34.312803
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -8.070
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: 7.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 305
Temperature: 2.466667
Total energy: -33.579362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.579362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.579362 (E_RNA)
where:
Base-Base interactions energy: -13.412
where: short stacking energy: -13.412
Base-Backbone interact. energy: 1.388
local terms energy: -21.555031
where:
bonds (distance) C4'-P energy: -8.336
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -6.700
flat angles P-C4'-P energy: -0.310
tors. eta vs tors. theta energy: 6.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 305
Temperature: 2.483333
Total energy: -39.063563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.063563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.063563 (E_RNA)
where:
Base-Base interactions energy: -7.501
where: short stacking energy: -5.542
Base-Backbone interact. energy: -0.517
local terms energy: -31.045366
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -4.980
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: 7.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 305
Temperature: 2.500000
Total energy: -38.234160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.234160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.234160 (E_RNA)
where:
Base-Base interactions energy: -2.863
where: short stacking energy: -0.917
Base-Backbone interact. energy: -0.082
local terms energy: -35.288969
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -3.381
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: 1, replica: 6
=====================================
Write number: 306
Temperature: 2.350000
Total energy: -41.000050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.000050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.000050 (E_RNA)
where:
Base-Base interactions energy: -7.141
where: short stacking energy: -5.803
Base-Backbone interact. energy: -0.249
local terms energy: -33.610413
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -8.539
flat angles P-C4'-P energy: 0.433
tors. eta vs tors. theta energy: 1.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 306
Temperature: 2.366667
Total energy: -44.768083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.768083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.768083 (E_RNA)
where:
Base-Base interactions energy: -8.831
where: short stacking energy: -7.331
Base-Backbone interact. energy: 3.632
local terms energy: -39.568915
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -8.626
flat angles P-C4'-P energy: -4.871
tors. eta vs tors. theta energy: 4.001
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: 8
=====================================
Write number: 306
Temperature: 2.383333
Total energy: -42.490374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.490374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.490374 (E_RNA)
where:
Base-Base interactions energy: -6.652
where: short stacking energy: -6.652
Base-Backbone interact. energy: -0.067
local terms energy: -35.771464
where:
bonds (distance) C4'-P energy: -10.084
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -8.022
flat angles P-C4'-P energy: -3.213
tors. eta vs tors. theta energy: -0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 306
Temperature: 2.400000
Total energy: -35.838965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.838965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.838965 (E_RNA)
where:
Base-Base interactions energy: -10.611
where: short stacking energy: -10.611
Base-Backbone interact. energy: -0.259
local terms energy: -24.969008
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -0.187
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: 7.526
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: 5, replica: 9
=====================================
Write number: 306
Temperature: 2.416667
Total energy: -34.111110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.111110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.111110 (E_RNA)
where:
Base-Base interactions energy: 1.097
where: short stacking energy: 1.097
Base-Backbone interact. energy: -0.209
local terms energy: -34.998782
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: 10.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 306
Temperature: 2.433333
Total energy: -37.321525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.321525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.321525 (E_RNA)
where:
Base-Base interactions energy: -9.011
where: short stacking energy: -4.347
Base-Backbone interact. energy: -0.468
local terms energy: -27.842488
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -1.400
flat angles P-C4'-P energy: -3.077
tors. eta vs tors. theta energy: 5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 306
Temperature: 2.450000
Total energy: -34.356976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.356976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.356976 (E_RNA)
where:
Base-Base interactions energy: -3.563
where: short stacking energy: -3.563
Base-Backbone interact. energy: -0.203
local terms energy: -30.591493
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -6.484
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: 8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 306
Temperature: 2.466667
Total energy: -40.111984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.111984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.111984 (E_RNA)
where:
Base-Base interactions energy: -10.165
where: short stacking energy: -8.101
Base-Backbone interact. energy: -0.638
local terms energy: -29.309528
where:
bonds (distance) C4'-P energy: -8.257
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -7.088
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: 9, replica: 4
=====================================
Write number: 306
Temperature: 2.483333
Total energy: -39.758368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.758368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.758368 (E_RNA)
where:
Base-Base interactions energy: -11.938
where: short stacking energy: -8.764
Base-Backbone interact. energy: -0.240
local terms energy: -27.579917
where:
bonds (distance) C4'-P energy: -8.336
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -3.623
tors. eta vs tors. theta energy: 7.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 306
Temperature: 2.500000
Total energy: -36.833157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.833157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.833157 (E_RNA)
where:
Base-Base interactions energy: -7.493
where: short stacking energy: -7.322
Base-Backbone interact. energy: 1.258
local terms energy: -30.599025
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -5.574
flat angles P-C4'-P energy: -2.782
tors. eta vs tors. theta energy: 5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 307
Temperature: 2.350000
Total energy: -39.516981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.516981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.516981 (E_RNA)
where:
Base-Base interactions energy: -13.732
where: short stacking energy: -13.732
Base-Backbone interact. energy: -0.341
local terms energy: -25.443707
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -8.607
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: 12.027
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: 8
=====================================
Write number: 307
Temperature: 2.366667
Total energy: -35.468515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.468515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.468515 (E_RNA)
where:
Base-Base interactions energy: -7.231
where: short stacking energy: -1.271
Base-Backbone interact. energy: -1.432
local terms energy: -26.805723
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -9.077
flat angles C4'-P-C4' energy: -10.243
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: 10.506
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: 7
=====================================
Write number: 307
Temperature: 2.383333
Total energy: -36.680919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.680919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.680919 (E_RNA)
where:
Base-Base interactions energy: -8.016
where: short stacking energy: -6.282
Base-Backbone interact. energy: -0.392
local terms energy: -28.272799
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -5.449
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: 9.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 307
Temperature: 2.400000
Total energy: -47.740873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.740873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.740873 (E_RNA)
where:
Base-Base interactions energy: -7.148
where: short stacking energy: -7.003
Base-Backbone interact. energy: -0.222
local terms energy: -40.371012
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -1.926
tors. eta vs tors. theta energy: 3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 307
Temperature: 2.416667
Total energy: -34.699110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.699110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.699110 (E_RNA)
where:
Base-Base interactions energy: -4.136
where: short stacking energy: -4.085
Base-Backbone interact. energy: 0.037
local terms energy: -30.599916
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -6.742
flat angles P-C4'-P energy: 0.611
tors. eta vs tors. theta energy: 4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 307
Temperature: 2.433333
Total energy: -34.935775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.935775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.935775 (E_RNA)
where:
Base-Base interactions energy: -11.364
where: short stacking energy: -10.410
Base-Backbone interact. energy: -0.109
local terms energy: -23.462106
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -9.125
flat angles C4'-P-C4' energy: -7.122
flat angles P-C4'-P energy: -1.006
tors. eta vs tors. theta energy: 3.388
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: 307
Temperature: 2.450000
Total energy: -42.981769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.981769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.981769 (E_RNA)
where:
Base-Base interactions energy: -12.662
where: short stacking energy: -11.599
Base-Backbone interact. energy: -0.049
local terms energy: -30.270485
where:
bonds (distance) C4'-P energy: -8.370
bonds (distance) P-C4' energy: -10.801
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: 10.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 2.466667
Total energy: -34.990737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.990737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.990737 (E_RNA)
where:
Base-Base interactions energy: -4.034
where: short stacking energy: -3.736
Base-Backbone interact. energy: 4.136
local terms energy: -35.092619
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -7.414
flat angles P-C4'-P energy: -2.713
tors. eta vs tors. theta energy: 8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 307
Temperature: 2.483333
Total energy: -36.258126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.258126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.258126 (E_RNA)
where:
Base-Base interactions energy: -5.419
where: short stacking energy: -4.924
Base-Backbone interact. energy: 0.761
local terms energy: -31.599940
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -2.231
tors. eta vs tors. theta energy: 8.653
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: 10
=====================================
Write number: 307
Temperature: 2.500000
Total energy: -44.871784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.871784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.871784 (E_RNA)
where:
Base-Base interactions energy: -0.900
where: short stacking energy: -0.900
Base-Backbone interact. energy: 0.540
local terms energy: -44.511547
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: 5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 308
Temperature: 2.350000
Total energy: -38.205727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.205727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.205727 (E_RNA)
where:
Base-Base interactions energy: -11.221
where: short stacking energy: -9.540
Base-Backbone interact. energy: -0.441
local terms energy: -26.543841
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -6.578
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -1.664
tors. eta vs tors. theta energy: 5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 308
Temperature: 2.366667
Total energy: -37.564037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.564037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.564037 (E_RNA)
where:
Base-Base interactions energy: -6.530
where: short stacking energy: -6.530
Base-Backbone interact. energy: 2.327
local terms energy: -33.361057
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -4.475
flat angles C4'-P-C4' energy: -9.338
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: 5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 308
Temperature: 2.383333
Total energy: -35.109391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.109391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.109391 (E_RNA)
where:
Base-Base interactions energy: -5.671
where: short stacking energy: -2.562
Base-Backbone interact. energy: -0.672
local terms energy: -28.766036
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -1.208
tors. eta vs tors. theta energy: 9.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 2.400000
Total energy: -36.663328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.663328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.663328 (E_RNA)
where:
Base-Base interactions energy: -3.943
where: short stacking energy: -3.614
Base-Backbone interact. energy: 0.622
local terms energy: -33.342001
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -5.319
tors. eta vs tors. theta energy: 7.828
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: 5
=====================================
Write number: 308
Temperature: 2.416667
Total energy: -31.956895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.956895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.956895 (E_RNA)
where:
Base-Base interactions energy: -7.651
where: short stacking energy: -7.136
Base-Backbone interact. energy: 0.900
local terms energy: -25.205775
where:
bonds (distance) C4'-P energy: -5.570
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -3.063
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: 6, replica: 3
=====================================
Write number: 308
Temperature: 2.433333
Total energy: -37.821313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.821313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.821313 (E_RNA)
where:
Base-Base interactions energy: -3.451
where: short stacking energy: -2.990
Base-Backbone interact. energy: -0.657
local terms energy: -33.713533
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -6.955
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: 9.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 308
Temperature: 2.450000
Total energy: -39.681156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.681156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.681156 (E_RNA)
where:
Base-Base interactions energy: -8.232
where: short stacking energy: -6.075
Base-Backbone interact. energy: -0.612
local terms energy: -30.836333
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -5.231
flat angles P-C4'-P energy: -6.280
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: 1
=====================================
Write number: 308
Temperature: 2.466667
Total energy: -37.932515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.932515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.932515 (E_RNA)
where:
Base-Base interactions energy: -2.457
where: short stacking energy: -3.510
Base-Backbone interact. energy: -0.761
local terms energy: -34.715189
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -7.757
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: 9.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 308
Temperature: 2.483333
Total energy: -42.294469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.294469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.294469 (E_RNA)
where:
Base-Base interactions energy: -6.263
where: short stacking energy: -3.217
Base-Backbone interact. energy: -0.063
local terms energy: -35.969048
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -9.356
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: 6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 308
Temperature: 2.500000
Total energy: -39.226061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.226061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.226061 (E_RNA)
where:
Base-Base interactions energy: -4.856
where: short stacking energy: -1.411
Base-Backbone interact. energy: 1.473
local terms energy: -35.842862
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -6.473
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: 6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 309
Temperature: 2.350000
Total energy: -40.948173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.948173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.948173 (E_RNA)
where:
Base-Base interactions energy: -10.792
where: short stacking energy: -10.017
Base-Backbone interact. energy: -0.290
local terms energy: -29.866800
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -11.459
flat angles C4'-P-C4' energy: -5.647
flat angles P-C4'-P energy: -0.194
tors. eta vs tors. theta energy: 5.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 309
Temperature: 2.366667
Total energy: -40.243776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.243776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.243776 (E_RNA)
where:
Base-Base interactions energy: -4.555
where: short stacking energy: -3.133
Base-Backbone interact. energy: -0.526
local terms energy: -35.162079
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -3.938
tors. eta vs tors. theta energy: 8.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 309
Temperature: 2.383333
Total energy: -36.146752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.146752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.146752 (E_RNA)
where:
Base-Base interactions energy: -4.344
where: short stacking energy: -4.344
Base-Backbone interact. energy: -0.372
local terms energy: -31.430219
where:
bonds (distance) C4'-P energy: -9.632
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -9.157
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: 8.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 2.400000
Total energy: -34.804490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.804490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.804490 (E_RNA)
where:
Base-Base interactions energy: -7.290
where: short stacking energy: -2.628
Base-Backbone interact. energy: 1.060
local terms energy: -28.573891
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -10.929
flat angles C4'-P-C4' energy: -8.112
flat angles P-C4'-P energy: -0.040
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: 5, replica: 7
=====================================
Write number: 309
Temperature: 2.416667
Total energy: -35.633254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.633254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.633254 (E_RNA)
where:
Base-Base interactions energy: -5.117
where: short stacking energy: -3.081
Base-Backbone interact. energy: -0.272
local terms energy: -30.244666
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -5.161
tors. eta vs tors. theta energy: 12.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 2.433333
Total energy: -36.076572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.076572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.076572 (E_RNA)
where:
Base-Base interactions energy: -3.318
where: short stacking energy: -3.518
Base-Backbone interact. energy: 2.184
local terms energy: -34.942270
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -5.396
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: 7, replica: 3
=====================================
Write number: 309
Temperature: 2.450000
Total energy: -34.424343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.424343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.424343 (E_RNA)
where:
Base-Base interactions energy: -3.086
where: short stacking energy: -1.229
Base-Backbone interact. energy: -0.117
local terms energy: -31.221191
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -8.965
flat angles P-C4'-P energy: -4.233
tors. eta vs tors. theta energy: 8.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 2.466667
Total energy: -35.300763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.300763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.300763 (E_RNA)
where:
Base-Base interactions energy: -5.398
where: short stacking energy: -3.144
Base-Backbone interact. energy: 0.130
local terms energy: -30.033572
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -6.775
flat angles P-C4'-P energy: 0.136
tors. eta vs tors. theta energy: 7.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 309
Temperature: 2.483333
Total energy: -31.968386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.968386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.968386 (E_RNA)
where:
Base-Base interactions energy: -6.561
where: short stacking energy: -5.307
Base-Backbone interact. energy: 1.123
local terms energy: -26.530511
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -7.970
flat angles P-C4'-P energy: 1.407
tors. eta vs tors. theta energy: 5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 309
Temperature: 2.500000
Total energy: -32.961002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.961002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.961002 (E_RNA)
where:
Base-Base interactions energy: -4.882
where: short stacking energy: -3.514
Base-Backbone interact. energy: 1.031
local terms energy: -29.110542
where:
bonds (distance) C4'-P energy: -6.759
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: 7.549
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: 9
=====================================
Write number: 310
Temperature: 2.350000
Total energy: -35.849776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.849776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.849776 (E_RNA)
where:
Base-Base interactions energy: -9.089
where: short stacking energy: -7.974
Base-Backbone interact. energy: -0.250
local terms energy: -26.510998
where:
bonds (distance) C4'-P energy: -4.279
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -4.979
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: 2, replica: 8
=====================================
Write number: 310
Temperature: 2.366667
Total energy: -45.943294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.943294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.943294 (E_RNA)
where:
Base-Base interactions energy: -8.719
where: short stacking energy: -7.836
Base-Backbone interact. energy: -0.701
local terms energy: -36.524071
where:
bonds (distance) C4'-P energy: -7.966
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: 8.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 310
Temperature: 2.383333
Total energy: -36.416573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.416573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.416573 (E_RNA)
where:
Base-Base interactions energy: -4.176
where: short stacking energy: -2.059
Base-Backbone interact. energy: -0.262
local terms energy: -31.978017
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -9.281
flat angles C4'-P-C4' energy: -8.311
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: 6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 310
Temperature: 2.400000
Total energy: -35.662721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.662721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.662721 (E_RNA)
where:
Base-Base interactions energy: -3.480
where: short stacking energy: -0.904
Base-Backbone interact. energy: 0.439
local terms energy: -32.621110
where:
bonds (distance) C4'-P energy: -8.270
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: 13.365
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: 4
=====================================
Write number: 310
Temperature: 2.416667
Total energy: -35.791970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.791970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.791970 (E_RNA)
where:
Base-Base interactions energy: -7.582
where: short stacking energy: -7.582
Base-Backbone interact. energy: 0.473
local terms energy: -28.683267
where:
bonds (distance) C4'-P energy: -4.956
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -9.738
flat angles P-C4'-P energy: -0.867
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: 7
=====================================
Write number: 310
Temperature: 2.433333
Total energy: -37.065744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.065744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.065744 (E_RNA)
where:
Base-Base interactions energy: -6.094
where: short stacking energy: -2.399
Base-Backbone interact. energy: -1.538
local terms energy: -29.434041
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -4.350
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: 6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 2.450000
Total energy: -31.754244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.754244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.754244 (E_RNA)
where:
Base-Base interactions energy: -9.210
where: short stacking energy: -9.027
Base-Backbone interact. energy: 0.823
local terms energy: -23.367507
where:
bonds (distance) C4'-P energy: -3.859
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -4.399
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: 1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 310
Temperature: 2.466667
Total energy: -35.288021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.288021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.288021 (E_RNA)
where:
Base-Base interactions energy: -9.485
where: short stacking energy: -0.223
Base-Backbone interact. energy: 2.554
local terms energy: -28.357314
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -8.654
flat angles C4'-P-C4' energy: -7.061
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: 9.436
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: 9, replica: 2
=====================================
Write number: 310
Temperature: 2.483333
Total energy: -34.671297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.671297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.671297 (E_RNA)
where:
Base-Base interactions energy: -8.940
where: short stacking energy: -5.656
Base-Backbone interact. energy: -0.314
local terms energy: -25.417477
where:
bonds (distance) C4'-P energy: -8.237
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -8.651
flat angles P-C4'-P energy: -2.030
tors. eta vs tors. theta energy: 5.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 310
Temperature: 2.500000
Total energy: -39.619341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.619341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.619341 (E_RNA)
where:
Base-Base interactions energy: -14.106
where: short stacking energy: -10.393
Base-Backbone interact. energy: -0.188
local terms energy: -25.326232
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -9.817
flat angles C4'-P-C4' energy: -9.635
flat angles P-C4'-P energy: 1.291
tors. eta vs tors. theta energy: 8.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 311
Temperature: 2.350000
Total energy: -39.087145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.087145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.087145 (E_RNA)
where:
Base-Base interactions energy: -10.935
where: short stacking energy: -10.935
Base-Backbone interact. energy: -0.310
local terms energy: -27.841440
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -2.346
flat angles P-C4'-P energy: -2.335
tors. eta vs tors. theta energy: 4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 311
Temperature: 2.366667
Total energy: -40.847755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.847755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.847755 (E_RNA)
where:
Base-Base interactions energy: -12.339
where: short stacking energy: -12.269
Base-Backbone interact. energy: 0.060
local terms energy: -28.569492
where:
bonds (distance) C4'-P energy: -3.720
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -6.054
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: 3, replica: 8
=====================================
Write number: 311
Temperature: 2.383333
Total energy: -35.019060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.019060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.019060 (E_RNA)
where:
Base-Base interactions energy: -8.488
where: short stacking energy: -6.570
Base-Backbone interact. energy: -0.651
local terms energy: -25.879813
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -6.636
flat angles P-C4'-P energy: 1.070
tors. eta vs tors. theta energy: 12.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 311
Temperature: 2.400000
Total energy: -41.227272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.227272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.227272 (E_RNA)
where:
Base-Base interactions energy: -5.916
where: short stacking energy: -1.107
Base-Backbone interact. energy: 0.224
local terms energy: -35.535877
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -17.422
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: 13.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 311
Temperature: 2.416667
Total energy: -34.629935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.629935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.629935 (E_RNA)
where:
Base-Base interactions energy: -3.200
where: short stacking energy: -1.908
Base-Backbone interact. energy: 1.089
local terms energy: -32.518620
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -2.263
tors. eta vs tors. theta energy: 10.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 2.433333
Total energy: -42.242748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.242748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.242748 (E_RNA)
where:
Base-Base interactions energy: -9.121
where: short stacking energy: -6.592
Base-Backbone interact. energy: -0.021
local terms energy: -33.100613
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: -3.432
flat angles P-C4'-P energy: -1.883
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: 7, replica: 7
=====================================
Write number: 311
Temperature: 2.450000
Total energy: -33.638056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.638056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.638056 (E_RNA)
where:
Base-Base interactions energy: -6.435
where: short stacking energy: -6.435
Base-Backbone interact. energy: -0.335
local terms energy: -26.867564
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -5.168
flat angles P-C4'-P energy: -2.362
tors. eta vs tors. theta energy: 8.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 311
Temperature: 2.466667
Total energy: -34.394434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.394434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.394434 (E_RNA)
where:
Base-Base interactions energy: -5.783
where: short stacking energy: -5.504
Base-Backbone interact. energy: -0.352
local terms energy: -28.259560
where:
bonds (distance) C4'-P energy: -7.128
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -8.795
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: 9.730
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: 3
=====================================
Write number: 311
Temperature: 2.483333
Total energy: -32.995604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.995604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.995604 (E_RNA)
where:
Base-Base interactions energy: -3.611
where: short stacking energy: -2.430
Base-Backbone interact. energy: 0.345
local terms energy: -29.729488
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -5.009
flat angles P-C4'-P energy: -4.262
tors. eta vs tors. theta energy: 6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 311
Temperature: 2.500000
Total energy: -36.846420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.846420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.846420 (E_RNA)
where:
Base-Base interactions energy: -19.006
where: short stacking energy: -17.428
Base-Backbone interact. energy: -0.626
local terms energy: -17.214390
where:
bonds (distance) C4'-P energy: -3.196
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -1.452
flat angles P-C4'-P energy: -2.890
tors. eta vs tors. theta energy: 3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 312
Temperature: 2.350000
Total energy: -38.515340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.515340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.515340 (E_RNA)
where:
Base-Base interactions energy: -5.591
where: short stacking energy: -5.591
Base-Backbone interact. energy: 0.119
local terms energy: -33.043019
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: 7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 2.366667
Total energy: -38.802500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.802500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.802500 (E_RNA)
where:
Base-Base interactions energy: -16.928
where: short stacking energy: -16.917
Base-Backbone interact. energy: -0.430
local terms energy: -21.444477
where:
bonds (distance) C4'-P energy: 1.974
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -7.946
flat angles P-C4'-P energy: 2.375
tors. eta vs tors. theta energy: -1.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 312
Temperature: 2.383333
Total energy: -34.725602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.725602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.725602 (E_RNA)
where:
Base-Base interactions energy: -3.480
where: short stacking energy: -1.617
Base-Backbone interact. energy: 1.395
local terms energy: -32.640110
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -6.394
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: 7.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 312
Temperature: 2.400000
Total energy: -37.325776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.325776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.325776 (E_RNA)
where:
Base-Base interactions energy: -11.839
where: short stacking energy: -6.716
Base-Backbone interact. energy: 0.527
local terms energy: -26.014043
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: 5.015
tors. eta vs tors. theta energy: 5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 312
Temperature: 2.416667
Total energy: -39.385372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.385372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.385372 (E_RNA)
where:
Base-Base interactions energy: -7.387
where: short stacking energy: -6.345
Base-Backbone interact. energy: -1.010
local terms energy: -30.988616
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -4.495
flat angles P-C4'-P energy: -1.287
tors. eta vs tors. theta energy: 3.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 312
Temperature: 2.433333
Total energy: -35.258153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.258153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.258153 (E_RNA)
where:
Base-Base interactions energy: -7.287
where: short stacking energy: -7.287
Base-Backbone interact. energy: 3.301
local terms energy: -31.271973
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -6.801
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: 6.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 312
Temperature: 2.450000
Total energy: -40.787933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.787933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.787933 (E_RNA)
where:
Base-Base interactions energy: -6.696
where: short stacking energy: -6.885
Base-Backbone interact. energy: 0.353
local terms energy: -34.444680
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -2.755
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: 2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 312
Temperature: 2.466667
Total energy: -39.691154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.691154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.691154 (E_RNA)
where:
Base-Base interactions energy: -5.956
where: short stacking energy: -4.994
Base-Backbone interact. energy: -0.352
local terms energy: -33.383012
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -3.274
tors. eta vs tors. theta energy: 6.414
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: 312
Temperature: 2.483333
Total energy: -40.130583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.130583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.130583 (E_RNA)
where:
Base-Base interactions energy: -5.775
where: short stacking energy: -2.359
Base-Backbone interact. energy: 2.347
local terms energy: -36.702526
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -11.163
flat angles C4'-P-C4' energy: -8.709
flat angles P-C4'-P energy: -8.274
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: 10, replica: 3
=====================================
Write number: 312
Temperature: 2.500000
Total energy: -37.442845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.442845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.442845 (E_RNA)
where:
Base-Base interactions energy: -6.757
where: short stacking energy: -6.757
Base-Backbone interact. energy: -0.876
local terms energy: -29.809871
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: 5.169
tors. eta vs tors. theta energy: 6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 313
Temperature: 2.350000
Total energy: -38.417388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.417388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.417388 (E_RNA)
where:
Base-Base interactions energy: 0.308
where: short stacking energy: -0.121
Base-Backbone interact. energy: -0.071
local terms energy: -38.654071
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: 8.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 313
Temperature: 2.366667
Total energy: -41.861968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.861968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.861968 (E_RNA)
where:
Base-Base interactions energy: -5.277
where: short stacking energy: -5.167
Base-Backbone interact. energy: -0.180
local terms energy: -36.405410
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -7.059
flat angles P-C4'-P energy: -5.423
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: 3, replica: 9
=====================================
Write number: 313
Temperature: 2.383333
Total energy: -41.878253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.878253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.878253 (E_RNA)
where:
Base-Base interactions energy: -11.590
where: short stacking energy: -11.590
Base-Backbone interact. energy: -0.221
local terms energy: -30.067584
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -8.030
flat angles C4'-P-C4' energy: -6.928
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: 5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 313
Temperature: 2.400000
Total energy: -35.947359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.947359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.947359 (E_RNA)
where:
Base-Base interactions energy: -8.976
where: short stacking energy: -8.501
Base-Backbone interact. energy: -0.314
local terms energy: -26.657606
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -4.448
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: 9.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 313
Temperature: 2.416667
Total energy: -39.683303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.683303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.683303 (E_RNA)
where:
Base-Base interactions energy: -3.710
where: short stacking energy: -1.101
Base-Backbone interact. energy: -0.773
local terms energy: -35.201115
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -2.515
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: 6, replica: 2
=====================================
Write number: 313
Temperature: 2.433333
Total energy: -38.751023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.751023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.751023 (E_RNA)
where:
Base-Base interactions energy: -6.475
where: short stacking energy: -4.026
Base-Backbone interact. energy: -0.372
local terms energy: -31.904252
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: 12.903
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: 7, replica: 6
=====================================
Write number: 313
Temperature: 2.450000
Total energy: -38.499174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.499174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.499174 (E_RNA)
where:
Base-Base interactions energy: 1.139
where: short stacking energy: 0.339
Base-Backbone interact. energy: -0.286
local terms energy: -39.352345
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: 9.514
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: 8, replica: 1
=====================================
Write number: 313
Temperature: 2.466667
Total energy: -38.906293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.906293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.906293 (E_RNA)
where:
Base-Base interactions energy: -8.576
where: short stacking energy: -7.624
Base-Backbone interact. energy: 0.369
local terms energy: -30.698917
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: 0.195
flat angles P-C4'-P energy: -10.858
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: 9, replica: 7
=====================================
Write number: 313
Temperature: 2.483333
Total energy: -48.327264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.327264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.327264 (E_RNA)
where:
Base-Base interactions energy: -3.439
where: short stacking energy: -1.640
Base-Backbone interact. energy: -0.108
local terms energy: -44.780277
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -8.232
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: 5.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 313
Temperature: 2.500000
Total energy: -36.214314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.214314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.214314 (E_RNA)
where:
Base-Base interactions energy: -14.869
where: short stacking energy: -12.414
Base-Backbone interact. energy: -0.500
local terms energy: -20.845872
where:
bonds (distance) C4'-P energy: 0.050
bonds (distance) P-C4' energy: -10.033
flat angles C4'-P-C4' energy: -6.060
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: 4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 2.350000
Total energy: -41.988535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.988535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.988535 (E_RNA)
where:
Base-Base interactions energy: -7.430
where: short stacking energy: -6.614
Base-Backbone interact. energy: -0.740
local terms energy: -33.818538
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -2.539
flat angles P-C4'-P energy: -4.583
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: 314
Temperature: 2.366667
Total energy: -40.776563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.776563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.776563 (E_RNA)
where:
Base-Base interactions energy: -1.038
where: short stacking energy: -1.230
Base-Backbone interact. energy: -0.781
local terms energy: -38.956899
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -5.233
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: 10
=====================================
Write number: 314
Temperature: 2.383333
Total energy: -39.766031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.766031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.766031 (E_RNA)
where:
Base-Base interactions energy: -7.951
where: short stacking energy: -7.321
Base-Backbone interact. energy: 2.332
local terms energy: -34.146778
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -8.818
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: 9.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 314
Temperature: 2.400000
Total energy: -34.333139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.333139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.333139 (E_RNA)
where:
Base-Base interactions energy: -3.305
where: short stacking energy: -2.219
Base-Backbone interact. energy: -0.197
local terms energy: -30.831786
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -3.246
flat angles P-C4'-P energy: -6.256
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: 5, replica: 2
=====================================
Write number: 314
Temperature: 2.416667
Total energy: -37.970188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.970188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.970188 (E_RNA)
where:
Base-Base interactions energy: -13.391
where: short stacking energy: -12.914
Base-Backbone interact. energy: 3.116
local terms energy: -27.695585
where:
bonds (distance) C4'-P energy: -7.520
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -4.441
flat angles P-C4'-P energy: -3.154
tors. eta vs tors. theta energy: 4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 314
Temperature: 2.433333
Total energy: -34.769371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.769371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.769371 (E_RNA)
where:
Base-Base interactions energy: -15.156
where: short stacking energy: -15.156
Base-Backbone interact. energy: 1.036
local terms energy: -20.649541
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -9.166
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: -0.687
tors. eta vs tors. theta energy: 7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 314
Temperature: 2.450000
Total energy: -36.041543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.041543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.041543 (E_RNA)
where:
Base-Base interactions energy: -4.369
where: short stacking energy: -4.279
Base-Backbone interact. energy: 0.213
local terms energy: -31.885608
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -8.865
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -4.133
tors. eta vs tors. theta energy: 7.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 314
Temperature: 2.466667
Total energy: -35.629648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.629648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.629648 (E_RNA)
where:
Base-Base interactions energy: -11.659
where: short stacking energy: -6.300
Base-Backbone interact. energy: -0.776
local terms energy: -23.194954
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -10.220
flat angles C4'-P-C4' energy: -7.000
flat angles P-C4'-P energy: -2.360
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: 9, replica: 3
=====================================
Write number: 314
Temperature: 2.483333
Total energy: -46.925504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.925504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.925504 (E_RNA)
where:
Base-Base interactions energy: -16.326
where: short stacking energy: -15.319
Base-Backbone interact. energy: -0.343
local terms energy: -30.255572
where:
bonds (distance) C4'-P energy: -5.395
bonds (distance) P-C4' energy: -9.663
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: 2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 314
Temperature: 2.500000
Total energy: -36.517749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.517749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.517749 (E_RNA)
where:
Base-Base interactions energy: -5.237
where: short stacking energy: -2.973
Base-Backbone interact. energy: 0.838
local terms energy: -32.119278
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -9.729
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: 11.206
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: 4
=====================================
Write number: 315
Temperature: 2.350000
Total energy: -36.200547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.200547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.200547 (E_RNA)
where:
Base-Base interactions energy: -2.164
where: short stacking energy: -1.838
Base-Backbone interact. energy: 0.361
local terms energy: -34.397514
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -9.877
flat angles P-C4'-P energy: -3.258
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: 2, replica: 10
=====================================
Write number: 315
Temperature: 2.366667
Total energy: -39.861474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.861474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.861474 (E_RNA)
where:
Base-Base interactions energy: -6.893
where: short stacking energy: -3.809
Base-Backbone interact. energy: -0.498
local terms energy: -32.471239
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -10.063
flat angles C4'-P-C4' energy: -6.942
flat angles P-C4'-P energy: -11.729
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: 3, replica: 5
=====================================
Write number: 315
Temperature: 2.383333
Total energy: -41.995853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.995853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.995853 (E_RNA)
where:
Base-Base interactions energy: -7.923
where: short stacking energy: -7.923
Base-Backbone interact. energy: -0.369
local terms energy: -33.704062
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: 0.838
tors. eta vs tors. theta energy: 5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 315
Temperature: 2.400000
Total energy: -39.433443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.433443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.433443 (E_RNA)
where:
Base-Base interactions energy: -11.272
where: short stacking energy: -8.800
Base-Backbone interact. energy: -2.002
local terms energy: -26.159446
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -8.307
flat angles C4'-P-C4' energy: -1.817
flat angles P-C4'-P energy: -8.890
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: 5, replica: 2
=====================================
Write number: 315
Temperature: 2.416667
Total energy: -42.479998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.479998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.479998 (E_RNA)
where:
Base-Base interactions energy: -6.630
where: short stacking energy: -3.013
Base-Backbone interact. energy: -0.034
local terms energy: -35.816548
where:
bonds (distance) C4'-P energy: -9.792
bonds (distance) P-C4' energy: -10.425
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -4.328
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: 6, replica: 1
=====================================
Write number: 315
Temperature: 2.433333
Total energy: -36.154969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.154969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.154969 (E_RNA)
where:
Base-Base interactions energy: -4.627
where: short stacking energy: -4.627
Base-Backbone interact. energy: 0.498
local terms energy: -32.026379
where:
bonds (distance) C4'-P energy: -8.505
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: 10.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 315
Temperature: 2.450000
Total energy: -37.077988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.077988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.077988 (E_RNA)
where:
Base-Base interactions energy: -0.497
where: short stacking energy: -3.597
Base-Backbone interact. energy: -0.464
local terms energy: -36.117751
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: 7.538
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: 315
Temperature: 2.466667
Total energy: -33.590742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.590742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.590742 (E_RNA)
where:
Base-Base interactions energy: -8.394
where: short stacking energy: -8.394
Base-Backbone interact. energy: -0.683
local terms energy: -24.513015
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -2.629
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: 9.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 315
Temperature: 2.483333
Total energy: -38.220956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.220956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.220956 (E_RNA)
where:
Base-Base interactions energy: -10.314
where: short stacking energy: -9.887
Base-Backbone interact. energy: -0.571
local terms energy: -27.336107
where:
bonds (distance) C4'-P energy: -7.599
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -7.977
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: 5.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 315
Temperature: 2.500000
Total energy: -37.906256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.906256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.906256 (E_RNA)
where:
Base-Base interactions energy: -6.525
where: short stacking energy: -6.211
Base-Backbone interact. energy: -0.460
local terms energy: -30.921113
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -9.622
flat angles C4'-P-C4' energy: -3.163
flat angles P-C4'-P energy: -5.262
tors. eta vs tors. theta energy: 1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 316
Temperature: 2.350000
Total energy: -35.801669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.801669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.801669 (E_RNA)
where:
Base-Base interactions energy: -8.194
where: short stacking energy: -6.673
Base-Backbone interact. energy: -0.506
local terms energy: -27.102362
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -8.476
flat angles P-C4'-P energy: -5.292
tors. eta vs tors. theta energy: 11.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 2.366667
Total energy: -50.924399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.924399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.924399 (E_RNA)
where:
Base-Base interactions energy: -11.397
where: short stacking energy: -3.991
Base-Backbone interact. energy: -0.080
local terms energy: -39.447243
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -4.291
flat angles P-C4'-P energy: -5.097
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: 3, replica: 9
=====================================
Write number: 316
Temperature: 2.383333
Total energy: -43.218853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.218853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.218853 (E_RNA)
where:
Base-Base interactions energy: -12.543
where: short stacking energy: -12.522
Base-Backbone interact. energy: 0.861
local terms energy: -31.536742
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -7.373
flat angles P-C4'-P energy: -5.990
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: 4, replica: 5
=====================================
Write number: 316
Temperature: 2.400000
Total energy: -41.967537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.967537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.967537 (E_RNA)
where:
Base-Base interactions energy: -7.684
where: short stacking energy: -7.684
Base-Backbone interact. energy: -0.051
local terms energy: -34.232464
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -6.859
flat angles P-C4'-P energy: -0.874
tors. eta vs tors. theta energy: 6.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 316
Temperature: 2.416667
Total energy: -33.141482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.141482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.141482 (E_RNA)
where:
Base-Base interactions energy: -1.442
where: short stacking energy: -1.442
Base-Backbone interact. energy: -0.272
local terms energy: -31.427443
where:
bonds (distance) C4'-P energy: -8.770
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -7.210
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: 10.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 316
Temperature: 2.433333
Total energy: -40.600356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.600356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.600356 (E_RNA)
where:
Base-Base interactions energy: -11.746
where: short stacking energy: -10.561
Base-Backbone interact. energy: -0.609
local terms energy: -28.245465
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -6.542
flat angles P-C4'-P energy: 0.217
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: 7, replica: 3
=====================================
Write number: 316
Temperature: 2.450000
Total energy: -37.999426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.999426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.999426 (E_RNA)
where:
Base-Base interactions energy: -8.166
where: short stacking energy: -8.166
Base-Backbone interact. energy: 0.083
local terms energy: -29.916727
where:
bonds (distance) C4'-P energy: -6.421
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: 5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 316
Temperature: 2.466667
Total energy: -39.017071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.017071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.017071 (E_RNA)
where:
Base-Base interactions energy: -1.244
where: short stacking energy: -0.356
Base-Backbone interact. energy: 0.172
local terms energy: -37.944887
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: 10.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 316
Temperature: 2.483333
Total energy: -36.695334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.695334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.695334 (E_RNA)
where:
Base-Base interactions energy: -9.358
where: short stacking energy: -8.974
Base-Backbone interact. energy: 0.045
local terms energy: -27.382105
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -9.121
flat angles C4'-P-C4' energy: -8.205
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: 6.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 316
Temperature: 2.500000
Total energy: -37.976363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.976363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.976363 (E_RNA)
where:
Base-Base interactions energy: -5.390
where: short stacking energy: -5.042
Base-Backbone interact. energy: 2.355
local terms energy: -34.940873
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -7.606
flat angles P-C4'-P energy: -5.255
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: 10
=====================================
Write number: 317
Temperature: 2.350000
Total energy: -37.417120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.417120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.417120 (E_RNA)
where:
Base-Base interactions energy: -8.486
where: short stacking energy: -6.022
Base-Backbone interact. energy: 0.611
local terms energy: -29.541451
where:
bonds (distance) C4'-P energy: -4.150
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -7.481
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: 5.351
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: 2, replica: 9
=====================================
Write number: 317
Temperature: 2.366667
Total energy: -34.884890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.884890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.884890 (E_RNA)
where:
Base-Base interactions energy: -3.939
where: short stacking energy: -3.843
Base-Backbone interact. energy: 0.089
local terms energy: -31.035115
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -3.549
tors. eta vs tors. theta energy: 10.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 2.383333
Total energy: -36.887363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.887363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.887363 (E_RNA)
where:
Base-Base interactions energy: -2.031
where: short stacking energy: -0.799
Base-Backbone interact. energy: -0.021
local terms energy: -34.834930
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: 10.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 317
Temperature: 2.400000
Total energy: -38.950045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.950045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.950045 (E_RNA)
where:
Base-Base interactions energy: -13.255
where: short stacking energy: -9.124
Base-Backbone interact. energy: -1.473
local terms energy: -24.221687
where:
bonds (distance) C4'-P energy: -8.629
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: 8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 2.416667
Total energy: -40.916467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.916467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.916467 (E_RNA)
where:
Base-Base interactions energy: -3.340
where: short stacking energy: -2.849
Base-Backbone interact. energy: -0.187
local terms energy: -37.389860
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -6.848
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: 7.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 2.433333
Total energy: -32.618296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.618296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.618296 (E_RNA)
where:
Base-Base interactions energy: -3.012
where: short stacking energy: -1.534
Base-Backbone interact. energy: 0.910
local terms energy: -30.516206
where:
bonds (distance) C4'-P energy: -6.254
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: 1.645
tors. eta vs tors. theta energy: 4.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 317
Temperature: 2.450000
Total energy: -37.452031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.452031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.452031 (E_RNA)
where:
Base-Base interactions energy: -1.431
where: short stacking energy: -1.841
Base-Backbone interact. energy: -0.384
local terms energy: -35.637528
where:
bonds (distance) C4'-P energy: -6.116
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: 8.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 317
Temperature: 2.466667
Total energy: -42.685721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.685721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.685721 (E_RNA)
where:
Base-Base interactions energy: -3.249
where: short stacking energy: -1.992
Base-Backbone interact. energy: 3.016
local terms energy: -42.453083
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -9.370
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: 6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 317
Temperature: 2.483333
Total energy: -36.980324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.980324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.980324 (E_RNA)
where:
Base-Base interactions energy: -8.343
where: short stacking energy: -7.772
Base-Backbone interact. energy: 0.169
local terms energy: -28.806183
where:
bonds (distance) C4'-P energy: -4.372
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -9.059
flat angles P-C4'-P energy: -8.702
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: 10, replica: 6
=====================================
Write number: 317
Temperature: 2.500000
Total energy: -41.043666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.043666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.043666 (E_RNA)
where:
Base-Base interactions energy: -9.355
where: short stacking energy: -9.355
Base-Backbone interact. energy: -0.160
local terms energy: -31.528927
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -4.604
tors. eta vs tors. theta energy: 9.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 318
Temperature: 2.350000
Total energy: -42.376339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.376339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.376339 (E_RNA)
where:
Base-Base interactions energy: -4.140
where: short stacking energy: -3.974
Base-Backbone interact. energy: -0.283
local terms energy: -37.953137
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: 0.651
tors. eta vs tors. theta energy: 4.198
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: 10
=====================================
Write number: 318
Temperature: 2.366667
Total energy: -42.437392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.437392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.437392 (E_RNA)
where:
Base-Base interactions energy: -8.632
where: short stacking energy: -6.022
Base-Backbone interact. energy: -0.283
local terms energy: -33.522491
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -7.915
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: 5.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 2.383333
Total energy: -42.651606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.651606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.651606 (E_RNA)
where:
Base-Base interactions energy: -8.241
where: short stacking energy: -8.241
Base-Backbone interact. energy: -0.243
local terms energy: -34.167339
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -5.917
flat angles P-C4'-P energy: -5.663
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: 4, replica: 4
=====================================
Write number: 318
Temperature: 2.400000
Total energy: -38.974554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.974554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.974554 (E_RNA)
where:
Base-Base interactions energy: -2.883
where: short stacking energy: -2.883
Base-Backbone interact. energy: -0.625
local terms energy: -35.467165
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -7.873
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -5.614
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: 5, replica: 3
=====================================
Write number: 318
Temperature: 2.416667
Total energy: -34.756115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.756115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.756115 (E_RNA)
where:
Base-Base interactions energy: -6.136
where: short stacking energy: -5.080
Base-Backbone interact. energy: 0.185
local terms energy: -28.805658
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -8.933
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -3.958
tors. eta vs tors. theta energy: 11.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 318
Temperature: 2.433333
Total energy: -38.144918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.144918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.144918 (E_RNA)
where:
Base-Base interactions energy: -8.758
where: short stacking energy: -5.611
Base-Backbone interact. energy: 2.219
local terms energy: -31.606409
where:
bonds (distance) C4'-P energy: -8.540
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: 5.997
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: 7
=====================================
Write number: 318
Temperature: 2.450000
Total energy: -41.844757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.844757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.844757 (E_RNA)
where:
Base-Base interactions energy: -8.862
where: short stacking energy: -4.060
Base-Backbone interact. energy: -0.224
local terms energy: -32.758849
where:
bonds (distance) C4'-P energy: -8.850
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -8.703
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: 6.428
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: 8, replica: 2
=====================================
Write number: 318
Temperature: 2.466667
Total energy: -31.159660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.159660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.159660 (E_RNA)
where:
Base-Base interactions energy: -4.765
where: short stacking energy: -4.222
Base-Backbone interact. energy: -0.243
local terms energy: -26.151693
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -8.591
flat angles P-C4'-P energy: -0.261
tors. eta vs tors. theta energy: 6.864
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: 6
=====================================
Write number: 318
Temperature: 2.483333
Total energy: -32.691466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.691466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.691466 (E_RNA)
where:
Base-Base interactions energy: -13.132
where: short stacking energy: -10.926
Base-Backbone interact. energy: -0.641
local terms energy: -18.917917
where:
bonds (distance) C4'-P energy: -10.076
bonds (distance) P-C4' energy: -11.233
flat angles C4'-P-C4' energy: -0.682
flat angles P-C4'-P energy: 0.967
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: 10, replica: 8
=====================================
Write number: 318
Temperature: 2.500000
Total energy: -34.780789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.780789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.780789 (E_RNA)
where:
Base-Base interactions energy: -10.039
where: short stacking energy: -2.368
Base-Backbone interact. energy: 0.180
local terms energy: -24.922572
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -12.717
flat angles C4'-P-C4' energy: -7.229
flat angles P-C4'-P energy: -4.037
tors. eta vs tors. theta energy: 12.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 319
Temperature: 2.350000
Total energy: -38.936026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.936026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.936026 (E_RNA)
where:
Base-Base interactions energy: -11.324
where: short stacking energy: -9.519
Base-Backbone interact. energy: -0.210
local terms energy: -27.402412
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -4.703
flat angles P-C4'-P energy: -5.607
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: 2, replica: 1
=====================================
Write number: 319
Temperature: 2.366667
Total energy: -37.466468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.466468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.466468 (E_RNA)
where:
Base-Base interactions energy: -8.328
where: short stacking energy: -5.951
Base-Backbone interact. energy: -0.055
local terms energy: -29.083634
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -9.884
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -0.068
tors. eta vs tors. theta energy: 6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 319
Temperature: 2.383333
Total energy: -35.991650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.991650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.991650 (E_RNA)
where:
Base-Base interactions energy: -5.349
where: short stacking energy: -3.799
Base-Backbone interact. energy: 2.513
local terms energy: -33.155641
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -3.708
tors. eta vs tors. theta energy: 7.803
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: 3
=====================================
Write number: 319
Temperature: 2.400000
Total energy: -41.414230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.414230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.414230 (E_RNA)
where:
Base-Base interactions energy: -8.140
where: short stacking energy: -6.173
Base-Backbone interact. energy: -0.146
local terms energy: -33.127958
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -11.379
flat angles C4'-P-C4' energy: -7.848
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: 5.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 2.416667
Total energy: -35.822606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.822606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.822606 (E_RNA)
where:
Base-Base interactions energy: -3.240
where: short stacking energy: -4.840
Base-Backbone interact. energy: -0.446
local terms energy: -32.136274
where:
bonds (distance) C4'-P energy: -7.148
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: 7.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 2.433333
Total energy: -41.826001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.826001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.826001 (E_RNA)
where:
Base-Base interactions energy: -10.088
where: short stacking energy: -9.449
Base-Backbone interact. energy: 3.451
local terms energy: -35.189362
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -8.183
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -6.860
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: 7, replica: 5
=====================================
Write number: 319
Temperature: 2.450000
Total energy: -37.536718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.536718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.536718 (E_RNA)
where:
Base-Base interactions energy: -8.832
where: short stacking energy: -4.538
Base-Backbone interact. energy: -0.095
local terms energy: -28.609304
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -6.057
flat angles P-C4'-P energy: -4.517
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: 6
=====================================
Write number: 319
Temperature: 2.466667
Total energy: -35.091302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.091302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.091302 (E_RNA)
where:
Base-Base interactions energy: -2.653
where: short stacking energy: 0.137
Base-Backbone interact. energy: 0.113
local terms energy: -32.550918
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -4.272
tors. eta vs tors. theta energy: 13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 319
Temperature: 2.483333
Total energy: -46.345056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.345056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.345056 (E_RNA)
where:
Base-Base interactions energy: -9.510
where: short stacking energy: -6.730
Base-Backbone interact. energy: 0.278
local terms energy: -37.113394
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -4.315
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: 1.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 319
Temperature: 2.500000
Total energy: -38.413714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.413714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.413714 (E_RNA)
where:
Base-Base interactions energy: -10.901
where: short stacking energy: -9.897
Base-Backbone interact. energy: -0.369
local terms energy: -27.143780
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -8.209
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -0.731
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: 1
=====================================
Write number: 320
Temperature: 2.350000
Total energy: -42.292992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.292992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.292992 (E_RNA)
where:
Base-Base interactions energy: -6.866
where: short stacking energy: -6.866
Base-Backbone interact. energy: 0.067
local terms energy: -35.493430
where:
bonds (distance) C4'-P energy: -7.033
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: 5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 320
Temperature: 2.366667
Total energy: -42.728918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.728918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.728918 (E_RNA)
where:
Base-Base interactions energy: -6.953
where: short stacking energy: -6.674
Base-Backbone interact. energy: -0.178
local terms energy: -35.597434
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -5.739
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: 6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 320
Temperature: 2.383333
Total energy: -34.925209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.925209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.925209 (E_RNA)
where:
Base-Base interactions energy: -6.773
where: short stacking energy: -6.417
Base-Backbone interact. energy: 0.598
local terms energy: -28.750238
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -7.009
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -4.962
tors. eta vs tors. theta energy: 10.415
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: 10
=====================================
Write number: 320
Temperature: 2.400000
Total energy: -42.806021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.806021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.806021 (E_RNA)
where:
Base-Base interactions energy: -7.584
where: short stacking energy: -7.173
Base-Backbone interact. energy: -0.517
local terms energy: -34.704596
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -6.750
flat angles P-C4'-P energy: -4.286
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: 5, replica: 7
=====================================
Write number: 320
Temperature: 2.416667
Total energy: -35.635359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.635359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.635359 (E_RNA)
where:
Base-Base interactions energy: -7.956
where: short stacking energy: -6.041
Base-Backbone interact. energy: -0.760
local terms energy: -26.919250
where:
bonds (distance) C4'-P energy: -7.057
bonds (distance) P-C4' energy: -7.040
flat angles C4'-P-C4' energy: -8.323
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: 4.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 320
Temperature: 2.433333
Total energy: -34.304658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.304658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.304658 (E_RNA)
where:
Base-Base interactions energy: -11.059
where: short stacking energy: -5.028
Base-Backbone interact. energy: 1.994
local terms energy: -25.239875
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -0.734
flat angles P-C4'-P energy: -4.599
tors. eta vs tors. theta energy: 10.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 320
Temperature: 2.450000
Total energy: -40.469408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.469408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.469408 (E_RNA)
where:
Base-Base interactions energy: -14.496
where: short stacking energy: -10.384
Base-Backbone interact. energy: -0.461
local terms energy: -25.512363
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -7.591
flat angles C4'-P-C4' energy: -4.843
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: 5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 320
Temperature: 2.466667
Total energy: -34.892936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.892936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.892936 (E_RNA)
where:
Base-Base interactions energy: -3.664
where: short stacking energy: -3.408
Base-Backbone interact. energy: -0.243
local terms energy: -30.985680
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -9.594
flat angles C4'-P-C4' energy: -8.235
flat angles P-C4'-P energy: -1.772
tors. eta vs tors. theta energy: 6.613
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: 8
=====================================
Write number: 320
Temperature: 2.483333
Total energy: -36.494077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.494077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.494077 (E_RNA)
where:
Base-Base interactions energy: -8.837
where: short stacking energy: -3.608
Base-Backbone interact. energy: -0.937
local terms energy: -26.719908
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -8.630
flat angles P-C4'-P energy: -2.082
tors. eta vs tors. theta energy: 10.967
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: 2
=====================================
Write number: 320
Temperature: 2.500000
Total energy: -46.391254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.391254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.391254 (E_RNA)
where:
Base-Base interactions energy: -14.993
where: short stacking energy: -12.779
Base-Backbone interact. energy: 1.303
local terms energy: -32.701047
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -8.403
flat angles C4'-P-C4' energy: -7.684
flat angles P-C4'-P energy: -5.553
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: 1
=====================================
Write number: 321
Temperature: 2.350000
Total energy: -40.005403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.005403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.005403 (E_RNA)
where:
Base-Base interactions energy: -8.397
where: short stacking energy: -9.439
Base-Backbone interact. energy: -0.459
local terms energy: -31.148980
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -8.562
flat angles P-C4'-P energy: -3.294
tors. eta vs tors. theta energy: 8.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 321
Temperature: 2.366667
Total energy: -36.676617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.676617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.676617 (E_RNA)
where:
Base-Base interactions energy: -10.726
where: short stacking energy: -10.560
Base-Backbone interact. energy: 0.729
local terms energy: -26.678693
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -9.190
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -0.602
tors. eta vs tors. theta energy: 7.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 321
Temperature: 2.383333
Total energy: -36.534329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.534329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.534329 (E_RNA)
where:
Base-Base interactions energy: -3.198
where: short stacking energy: -3.198
Base-Backbone interact. energy: 2.292
local terms energy: -35.628352
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -9.729
flat angles P-C4'-P energy: -3.924
tors. eta vs tors. theta energy: 6.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 2.400000
Total energy: -39.625855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.625855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.625855 (E_RNA)
where:
Base-Base interactions energy: -5.684
where: short stacking energy: -0.333
Base-Backbone interact. energy: 0.752
local terms energy: -34.693905
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: 6.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 321
Temperature: 2.416667
Total energy: -44.616018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.616018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.616018 (E_RNA)
where:
Base-Base interactions energy: -5.464
where: short stacking energy: -5.464
Base-Backbone interact. energy: 1.266
local terms energy: -40.417524
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -8.730
flat angles P-C4'-P energy: -5.010
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: 6, replica: 6
=====================================
Write number: 321
Temperature: 2.433333
Total energy: -36.046122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.046122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.046122 (E_RNA)
where:
Base-Base interactions energy: -10.958
where: short stacking energy: -8.602
Base-Backbone interact. energy: -0.202
local terms energy: -24.886029
where:
bonds (distance) C4'-P energy: -9.770
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -5.455
flat angles P-C4'-P energy: -4.434
tors. eta vs tors. theta energy: 6.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 321
Temperature: 2.450000
Total energy: -34.655594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.655594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.655594 (E_RNA)
where:
Base-Base interactions energy: -3.865
where: short stacking energy: -3.801
Base-Backbone interact. energy: -0.519
local terms energy: -30.271614
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -10.241
flat angles C4'-P-C4' energy: -6.070
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: 9.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 2.466667
Total energy: -28.810159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.810159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.810159 (E_RNA)
where:
Base-Base interactions energy: -5.844
where: short stacking energy: -5.461
Base-Backbone interact. energy: 0.505
local terms energy: -23.471411
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -7.674
flat angles P-C4'-P energy: -0.322
tors. eta vs tors. theta energy: 7.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 321
Temperature: 2.483333
Total energy: -43.238863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.238863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.238863 (E_RNA)
where:
Base-Base interactions energy: -5.006
where: short stacking energy: -5.006
Base-Backbone interact. energy: -0.691
local terms energy: -37.542006
where:
bonds (distance) C4'-P energy: -8.813
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -7.159
flat angles P-C4'-P energy: -6.326
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: 10, replica: 2
=====================================
Write number: 321
Temperature: 2.500000
Total energy: -40.082323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.082323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.082323 (E_RNA)
where:
Base-Base interactions energy: -13.191
where: short stacking energy: -13.191
Base-Backbone interact. energy: 2.919
local terms energy: -29.810040
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -0.989
tors. eta vs tors. theta energy: 5.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 322
Temperature: 2.350000
Total energy: -37.170039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.170039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.170039 (E_RNA)
where:
Base-Base interactions energy: -6.017
where: short stacking energy: -6.017
Base-Backbone interact. energy: 0.372
local terms energy: -31.525540
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -7.740
flat angles P-C4'-P energy: -0.900
tors. eta vs tors. theta energy: 8.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 322
Temperature: 2.366667
Total energy: -37.794179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.794179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.794179 (E_RNA)
where:
Base-Base interactions energy: -13.628
where: short stacking energy: -10.458
Base-Backbone interact. energy: -0.382
local terms energy: -23.784884
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -9.690
flat angles C4'-P-C4' energy: 0.839
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: 2.991
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: 7
=====================================
Write number: 322
Temperature: 2.383333
Total energy: -40.529289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.529289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.529289 (E_RNA)
where:
Base-Base interactions energy: -10.680
where: short stacking energy: -8.292
Base-Backbone interact. energy: 0.588
local terms energy: -30.437910
where:
bonds (distance) C4'-P energy: -9.140
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -2.184
tors. eta vs tors. theta energy: 8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 322
Temperature: 2.400000
Total energy: -40.603884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.603884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.603884 (E_RNA)
where:
Base-Base interactions energy: -4.665
where: short stacking energy: -4.650
Base-Backbone interact. energy: 1.499
local terms energy: -37.438087
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: 10.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 2.416667
Total energy: -36.383776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.383776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.383776 (E_RNA)
where:
Base-Base interactions energy: -7.066
where: short stacking energy: -6.002
Base-Backbone interact. energy: -0.265
local terms energy: -29.052310
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -7.709
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: 10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 322
Temperature: 2.433333
Total energy: -36.321075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.321075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.321075 (E_RNA)
where:
Base-Base interactions energy: -6.240
where: short stacking energy: -5.225
Base-Backbone interact. energy: 4.100
local terms energy: -34.181259
where:
bonds (distance) C4'-P energy: -9.015
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -6.158
flat angles P-C4'-P energy: -5.831
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: 7, replica: 4
=====================================
Write number: 322
Temperature: 2.450000
Total energy: -36.432661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.432661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.432661 (E_RNA)
where:
Base-Base interactions energy: -5.233
where: short stacking energy: -4.075
Base-Backbone interact. energy: -1.738
local terms energy: -29.461480
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -6.569
flat angles C4'-P-C4' energy: -8.223
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: 5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 2.466667
Total energy: -36.328532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.328532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.328532 (E_RNA)
where:
Base-Base interactions energy: -7.049
where: short stacking energy: -7.049
Base-Backbone interact. energy: -0.140
local terms energy: -29.139815
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -8.115
flat angles P-C4'-P energy: -1.509
tors. eta vs tors. theta energy: 8.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 322
Temperature: 2.483333
Total energy: -33.347547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.347547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.347547 (E_RNA)
where:
Base-Base interactions energy: -6.943
where: short stacking energy: -4.779
Base-Backbone interact. energy: 1.073
local terms energy: -27.477375
where:
bonds (distance) C4'-P energy: -7.985
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: 0.092
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: 7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 322
Temperature: 2.500000
Total energy: -42.571113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.571113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.571113 (E_RNA)
where:
Base-Base interactions energy: -10.231
where: short stacking energy: -6.098
Base-Backbone interact. energy: -0.452
local terms energy: -31.888524
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: 6.805
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: 1, replica: 3
=====================================
Write number: 323
Temperature: 2.350000
Total energy: -34.217312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.217312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.217312 (E_RNA)
where:
Base-Base interactions energy: -10.073
where: short stacking energy: -6.977
Base-Backbone interact. energy: 3.538
local terms energy: -27.682094
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -7.109
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: 10.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 323
Temperature: 2.366667
Total energy: -39.531913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.531913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.531913 (E_RNA)
where:
Base-Base interactions energy: -3.045
where: short stacking energy: -3.845
Base-Backbone interact. energy: -0.383
local terms energy: -36.103694
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -8.453
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: 6.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 323
Temperature: 2.383333
Total energy: -39.413557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.413557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.413557 (E_RNA)
where:
Base-Base interactions energy: -13.075
where: short stacking energy: -13.048
Base-Backbone interact. energy: -0.956
local terms energy: -25.383011
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -0.257
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: 8.674
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: 6
=====================================
Write number: 323
Temperature: 2.400000
Total energy: -37.499328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.499328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.499328 (E_RNA)
where:
Base-Base interactions energy: -5.928
where: short stacking energy: -5.928
Base-Backbone interact. energy: -0.130
local terms energy: -31.441640
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -8.319
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -4.391
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: 5, replica: 9
=====================================
Write number: 323
Temperature: 2.416667
Total energy: -32.791252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.791252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.791252 (E_RNA)
where:
Base-Base interactions energy: -4.404
where: short stacking energy: -2.693
Base-Backbone interact. energy: -0.211
local terms energy: -28.175907
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -8.798
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -3.667
tors. eta vs tors. theta energy: 8.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 323
Temperature: 2.433333
Total energy: -33.429436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.429436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.429436 (E_RNA)
where:
Base-Base interactions energy: -3.179
where: short stacking energy: -2.644
Base-Backbone interact. energy: -0.313
local terms energy: -29.937872
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -6.692
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: 12.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 2.450000
Total energy: -39.324830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.324830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.324830 (E_RNA)
where:
Base-Base interactions energy: -8.927
where: short stacking energy: -8.317
Base-Backbone interact. energy: 1.093
local terms energy: -31.490525
where:
bonds (distance) C4'-P energy: -4.452
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -9.856
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: 0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 323
Temperature: 2.466667
Total energy: -33.701593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.701593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.701593 (E_RNA)
where:
Base-Base interactions energy: -3.628
where: short stacking energy: -3.131
Base-Backbone interact. energy: -0.395
local terms energy: -29.678836
where:
bonds (distance) C4'-P energy: -10.933
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -9.992
flat angles P-C4'-P energy: -2.414
tors. eta vs tors. theta energy: 6.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 2.483333
Total energy: -40.924610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.924610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.924610 (E_RNA)
where:
Base-Base interactions energy: -13.846
where: short stacking energy: -11.104
Base-Backbone interact. energy: -0.230
local terms energy: -26.848701
where:
bonds (distance) C4'-P energy: -7.657
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -8.276
flat angles P-C4'-P energy: -1.539
tors. eta vs tors. theta energy: 6.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 323
Temperature: 2.500000
Total energy: -33.493572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.493572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.493572 (E_RNA)
where:
Base-Base interactions energy: -11.304
where: short stacking energy: -9.341
Base-Backbone interact. energy: -0.314
local terms energy: -21.876315
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -3.951
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: 11.739
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: 7
=====================================
Write number: 324
Temperature: 2.350000
Total energy: -36.097021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.097021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.097021 (E_RNA)
where:
Base-Base interactions energy: -6.107
where: short stacking energy: -6.129
Base-Backbone interact. energy: -0.245
local terms energy: -29.744453
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -4.088
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: 6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 324
Temperature: 2.366667
Total energy: -35.274331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.274331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.274331 (E_RNA)
where:
Base-Base interactions energy: -10.249
where: short stacking energy: -8.478
Base-Backbone interact. energy: -0.562
local terms energy: -24.463482
where:
bonds (distance) C4'-P energy: -9.430
bonds (distance) P-C4' energy: -9.726
flat angles C4'-P-C4' energy: -8.797
flat angles P-C4'-P energy: -3.772
tors. eta vs tors. theta energy: 7.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 324
Temperature: 2.383333
Total energy: -43.522443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.522443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.522443 (E_RNA)
where:
Base-Base interactions energy: -9.984
where: short stacking energy: -8.058
Base-Backbone interact. energy: 0.673
local terms energy: -34.211495
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -8.848
flat angles P-C4'-P energy: -3.183
tors. eta vs tors. theta energy: 10.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 324
Temperature: 2.400000
Total energy: -38.270154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.270154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.270154 (E_RNA)
where:
Base-Base interactions energy: -3.000
where: short stacking energy: -1.664
Base-Backbone interact. energy: -0.286
local terms energy: -34.984049
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -8.193
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: 8.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 2.416667
Total energy: -36.540052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.540052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.540052 (E_RNA)
where:
Base-Base interactions energy: -4.448
where: short stacking energy: -3.702
Base-Backbone interact. energy: -0.920
local terms energy: -31.172583
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -1.981
flat angles P-C4'-P energy: -1.349
tors. eta vs tors. theta energy: 10.490
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: 9
=====================================
Write number: 324
Temperature: 2.433333
Total energy: -38.518638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.518638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.518638 (E_RNA)
where:
Base-Base interactions energy: -4.810
where: short stacking energy: -1.593
Base-Backbone interact. energy: -0.501
local terms energy: -33.208103
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: 12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 324
Temperature: 2.450000
Total energy: -34.513890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.513890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.513890 (E_RNA)
where:
Base-Base interactions energy: -7.977
where: short stacking energy: -7.977
Base-Backbone interact. energy: -0.130
local terms energy: -26.407605
where:
bonds (distance) C4'-P energy: -7.496
bonds (distance) P-C4' energy: -10.121
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: 10.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 2.466667
Total energy: -33.693556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.693556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.693556 (E_RNA)
where:
Base-Base interactions energy: -3.262
where: short stacking energy: -2.781
Base-Backbone interact. energy: -0.463
local terms energy: -29.968643
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -8.270
flat angles P-C4'-P energy: -0.945
tors. eta vs tors. theta energy: 6.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 324
Temperature: 2.483333
Total energy: -32.008145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.008145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.008145 (E_RNA)
where:
Base-Base interactions energy: -7.670
where: short stacking energy: -8.470
Base-Backbone interact. energy: -0.243
local terms energy: -24.095348
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -4.266
flat angles P-C4'-P energy: -5.708
tors. eta vs tors. theta energy: 11.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 324
Temperature: 2.500000
Total energy: -37.812050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.812050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.812050 (E_RNA)
where:
Base-Base interactions energy: -6.405
where: short stacking energy: -6.270
Base-Backbone interact. energy: 0.947
local terms energy: -32.353303
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -6.493
flat angles P-C4'-P energy: -3.057
tors. eta vs tors. theta energy: 2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 2.350000
Total energy: -37.972440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.972440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.972440 (E_RNA)
where:
Base-Base interactions energy: -7.128
where: short stacking energy: -3.718
Base-Backbone interact. energy: -0.434
local terms energy: -30.411165
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -10.552
flat angles P-C4'-P energy: -4.762
tors. eta vs tors. theta energy: 14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 325
Temperature: 2.366667
Total energy: -44.369828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.369828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.369828 (E_RNA)
where:
Base-Base interactions energy: -6.887
where: short stacking energy: -6.815
Base-Backbone interact. energy: -0.356
local terms energy: -37.127252
where:
bonds (distance) C4'-P energy: -8.484
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -6.667
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: 3, replica: 3
=====================================
Write number: 325
Temperature: 2.383333
Total energy: -45.622755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.622755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.622755 (E_RNA)
where:
Base-Base interactions energy: -6.484
where: short stacking energy: -3.215
Base-Backbone interact. energy: -0.463
local terms energy: -38.675951
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -3.850
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: 4, replica: 4
=====================================
Write number: 325
Temperature: 2.400000
Total energy: -41.213307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.213307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.213307 (E_RNA)
where:
Base-Base interactions energy: -13.774
where: short stacking energy: -12.833
Base-Backbone interact. energy: -0.205
local terms energy: -27.233471
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -3.289
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -5.391
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: 1
=====================================
Write number: 325
Temperature: 2.416667
Total energy: -40.691025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.691025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.691025 (E_RNA)
where:
Base-Base interactions energy: -10.843
where: short stacking energy: -10.209
Base-Backbone interact. energy: 0.987
local terms energy: -30.834454
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -4.473
flat angles P-C4'-P energy: 0.775
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: 2
=====================================
Write number: 325
Temperature: 2.433333
Total energy: -35.692040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.692040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.692040 (E_RNA)
where:
Base-Base interactions energy: -3.599
where: short stacking energy: -3.599
Base-Backbone interact. energy: 0.540
local terms energy: -32.632832
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -6.446
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: 10.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 325
Temperature: 2.450000
Total energy: -34.807721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.807721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.807721 (E_RNA)
where:
Base-Base interactions energy: -2.289
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.489
local terms energy: -32.029916
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -2.973
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: 6.612
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: 5
=====================================
Write number: 325
Temperature: 2.466667
Total energy: -31.329696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.329696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.329696 (E_RNA)
where:
Base-Base interactions energy: -4.354
where: short stacking energy: -4.382
Base-Backbone interact. energy: 1.984
local terms energy: -28.959228
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -8.942
flat angles P-C4'-P energy: -1.771
tors. eta vs tors. theta energy: 7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 325
Temperature: 2.483333
Total energy: -37.356778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.356778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.356778 (E_RNA)
where:
Base-Base interactions energy: -12.430
where: short stacking energy: -3.805
Base-Backbone interact. energy: -1.387
local terms energy: -23.539310
where:
bonds (distance) C4'-P energy: -7.552
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -5.950
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: 8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 2.500000
Total energy: -35.843493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.843493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.843493 (E_RNA)
where:
Base-Base interactions energy: 1.122
where: short stacking energy: -0.816
Base-Backbone interact. energy: -0.090
local terms energy: -36.875526
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -9.268
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: 4.595
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: 6
=====================================
Write number: 326
Temperature: 2.350000
Total energy: -37.208602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.208602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.208602 (E_RNA)
where:
Base-Base interactions energy: -13.052
where: short stacking energy: -12.722
Base-Backbone interact. energy: -0.507
local terms energy: -23.649756
where:
bonds (distance) C4'-P energy: -4.303
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -2.585
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: 9.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 326
Temperature: 2.366667
Total energy: -35.781975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.781975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.781975 (E_RNA)
where:
Base-Base interactions energy: -8.954
where: short stacking energy: -8.171
Base-Backbone interact. energy: 2.775
local terms energy: -29.602675
where:
bonds (distance) C4'-P energy: -3.304
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -5.083
tors. eta vs tors. theta energy: 8.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 326
Temperature: 2.383333
Total energy: -42.089853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.089853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.089853 (E_RNA)
where:
Base-Base interactions energy: -4.550
where: short stacking energy: -4.550
Base-Backbone interact. energy: -0.193
local terms energy: -37.346669
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: 12.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 326
Temperature: 2.400000
Total energy: -38.421949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.421949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.421949 (E_RNA)
where:
Base-Base interactions energy: -10.241
where: short stacking energy: -9.751
Base-Backbone interact. energy: -0.189
local terms energy: -27.991861
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -6.744
flat angles P-C4'-P energy: -4.047
tors. eta vs tors. theta energy: 9.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 326
Temperature: 2.416667
Total energy: -36.558106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.558106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.558106 (E_RNA)
where:
Base-Base interactions energy: -13.584
where: short stacking energy: -13.584
Base-Backbone interact. energy: -0.704
local terms energy: -22.269581
where:
bonds (distance) C4'-P energy: -3.826
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -3.634
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: 1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 326
Temperature: 2.433333
Total energy: -35.773799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.773799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.773799 (E_RNA)
where:
Base-Base interactions energy: -6.642
where: short stacking energy: -0.805
Base-Backbone interact. energy: -0.412
local terms energy: -28.720371
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -0.895
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: 10.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 326
Temperature: 2.450000
Total energy: -35.412827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.412827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.412827 (E_RNA)
where:
Base-Base interactions energy: -8.331
where: short stacking energy: -6.839
Base-Backbone interact. energy: -0.147
local terms energy: -26.935701
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -8.387
flat angles P-C4'-P energy: 10.756
tors. eta vs tors. theta energy: 0.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 2.466667
Total energy: -41.882446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.882446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.882446 (E_RNA)
where:
Base-Base interactions energy: -4.830
where: short stacking energy: -4.786
Base-Backbone interact. energy: -0.629
local terms energy: -36.422654
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -5.025
flat angles P-C4'-P energy: -2.858
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: 9, replica: 8
=====================================
Write number: 326
Temperature: 2.483333
Total energy: -40.864293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.864293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.864293 (E_RNA)
where:
Base-Base interactions energy: -14.871
where: short stacking energy: -14.871
Base-Backbone interact. energy: -0.317
local terms energy: -25.676435
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -8.609
flat angles C4'-P-C4' energy: -5.530
flat angles P-C4'-P energy: -1.777
tors. eta vs tors. theta energy: 1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 326
Temperature: 2.500000
Total energy: -41.849060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.849060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.849060 (E_RNA)
where:
Base-Base interactions energy: -5.836
where: short stacking energy: -4.261
Base-Backbone interact. energy: -0.295
local terms energy: -35.718211
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -7.257
flat angles P-C4'-P energy: -6.518
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: 1, replica: 6
=====================================
Write number: 327
Temperature: 2.350000
Total energy: -35.827455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.827455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.827455 (E_RNA)
where:
Base-Base interactions energy: -4.446
where: short stacking energy: -3.352
Base-Backbone interact. energy: -0.386
local terms energy: -30.995626
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -9.712
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -3.840
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: 4
=====================================
Write number: 327
Temperature: 2.366667
Total energy: -39.249263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.249263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.249263 (E_RNA)
where:
Base-Base interactions energy: -14.258
where: short stacking energy: -13.075
Base-Backbone interact. energy: 2.465
local terms energy: -27.456311
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -7.306
flat angles P-C4'-P energy: -4.071
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: 3, replica: 7
=====================================
Write number: 327
Temperature: 2.383333
Total energy: -50.704858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.704858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.704858 (E_RNA)
where:
Base-Base interactions energy: -12.062
where: short stacking energy: -11.386
Base-Backbone interact. energy: -0.582
local terms energy: -38.060512
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -9.822
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: 4, replica: 2
=====================================
Write number: 327
Temperature: 2.400000
Total energy: -36.894141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.894141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.894141 (E_RNA)
where:
Base-Base interactions energy: -10.984
where: short stacking energy: -7.809
Base-Backbone interact. energy: -0.316
local terms energy: -25.594147
where:
bonds (distance) C4'-P energy: -4.863
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -0.263
flat angles P-C4'-P energy: -7.973
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: 5, replica: 3
=====================================
Write number: 327
Temperature: 2.416667
Total energy: -40.306346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.306346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.306346 (E_RNA)
where:
Base-Base interactions energy: -12.773
where: short stacking energy: -11.312
Base-Backbone interact. energy: -0.062
local terms energy: -27.471713
where:
bonds (distance) C4'-P energy: -6.990
bonds (distance) P-C4' energy: -10.546
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -1.135
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: 327
Temperature: 2.433333
Total energy: -41.369566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.369566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.369566 (E_RNA)
where:
Base-Base interactions energy: -4.005
where: short stacking energy: -4.005
Base-Backbone interact. energy: -0.168
local terms energy: -37.196606
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: 9.678
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: 1
=====================================
Write number: 327
Temperature: 2.450000
Total energy: -36.499199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.499199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.499199 (E_RNA)
where:
Base-Base interactions energy: -2.231
where: short stacking energy: -1.575
Base-Backbone interact. energy: -0.257
local terms energy: -34.011158
where:
bonds (distance) C4'-P energy: -9.877
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: 9.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 327
Temperature: 2.466667
Total energy: -37.729694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.729694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.729694 (E_RNA)
where:
Base-Base interactions energy: -7.804
where: short stacking energy: -7.272
Base-Backbone interact. energy: 3.745
local terms energy: -33.670472
where:
bonds (distance) C4'-P energy: -8.032
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: 6.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 2.483333
Total energy: -36.542478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.542478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.542478 (E_RNA)
where:
Base-Base interactions energy: -13.228
where: short stacking energy: -13.162
Base-Backbone interact. energy: 0.790
local terms energy: -24.104114
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -6.299
flat angles C4'-P-C4' energy: -9.206
flat angles P-C4'-P energy: -2.711
tors. eta vs tors. theta energy: 7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 327
Temperature: 2.500000
Total energy: -34.802929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.802929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.802929 (E_RNA)
where:
Base-Base interactions energy: -5.757
where: short stacking energy: -5.757
Base-Backbone interact. energy: -0.324
local terms energy: -28.722316
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -2.077
tors. eta vs tors. theta energy: 6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 328
Temperature: 2.350000
Total energy: -47.181341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.181341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.181341 (E_RNA)
where:
Base-Base interactions energy: -11.570
where: short stacking energy: -7.333
Base-Backbone interact. energy: 0.552
local terms energy: -36.163947
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -0.532
tors. eta vs tors. theta energy: 6.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 328
Temperature: 2.366667
Total energy: -38.672157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.672157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.672157 (E_RNA)
where:
Base-Base interactions energy: -10.863
where: short stacking energy: -9.571
Base-Backbone interact. energy: -0.234
local terms energy: -27.574761
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -7.958
flat angles P-C4'-P energy: 2.324
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: 3, replica: 2
=====================================
Write number: 328
Temperature: 2.383333
Total energy: -40.296505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.296505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.296505 (E_RNA)
where:
Base-Base interactions energy: -6.422
where: short stacking energy: -4.795
Base-Backbone interact. energy: -0.785
local terms energy: -33.089968
where:
bonds (distance) C4'-P energy: -5.625
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -3.739
tors. eta vs tors. theta energy: 8.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 328
Temperature: 2.400000
Total energy: -37.715738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.715738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.715738 (E_RNA)
where:
Base-Base interactions energy: -5.865
where: short stacking energy: -0.925
Base-Backbone interact. energy: -0.256
local terms energy: -31.594937
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -1.689
flat angles P-C4'-P energy: -7.693
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: 5, replica: 5
=====================================
Write number: 328
Temperature: 2.416667
Total energy: -37.755687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.755687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.755687 (E_RNA)
where:
Base-Base interactions energy: -6.467
where: short stacking energy: -3.524
Base-Backbone interact. energy: 0.367
local terms energy: -31.656085
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: 9.134
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: 3
=====================================
Write number: 328
Temperature: 2.433333
Total energy: -40.689803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.689803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.689803 (E_RNA)
where:
Base-Base interactions energy: -6.636
where: short stacking energy: -6.061
Base-Backbone interact. energy: -0.100
local terms energy: -33.953740
where:
bonds (distance) C4'-P energy: -6.229
bonds (distance) P-C4' energy: -9.877
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -7.570
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: 7, replica: 8
=====================================
Write number: 328
Temperature: 2.450000
Total energy: -41.869664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.869664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.869664 (E_RNA)
where:
Base-Base interactions energy: -8.818
where: short stacking energy: -8.818
Base-Backbone interact. energy: -0.411
local terms energy: -32.640753
where:
bonds (distance) C4'-P energy: -7.876
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: 7.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 328
Temperature: 2.466667
Total energy: -38.661202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.661202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.661202 (E_RNA)
where:
Base-Base interactions energy: -15.081
where: short stacking energy: -15.081
Base-Backbone interact. energy: -0.210
local terms energy: -23.370062
where:
bonds (distance) C4'-P energy: -9.164
bonds (distance) P-C4' energy: -7.846
flat angles C4'-P-C4' energy: -9.640
flat angles P-C4'-P energy: -1.653
tors. eta vs tors. theta energy: 4.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 2.483333
Total energy: -31.635961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.635961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.635961 (E_RNA)
where:
Base-Base interactions energy: -6.646
where: short stacking energy: -5.045
Base-Backbone interact. energy: 0.071
local terms energy: -25.061190
where:
bonds (distance) C4'-P energy: -6.990
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -7.819
flat angles P-C4'-P energy: -2.665
tors. eta vs tors. theta energy: 9.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 2.500000
Total energy: -34.422579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.422579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.422579 (E_RNA)
where:
Base-Base interactions energy: -2.278
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.493
local terms energy: -31.651267
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -5.970
flat angles P-C4'-P energy: -4.652
tors. eta vs tors. theta energy: 8.547
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: 4
=====================================
Write number: 329
Temperature: 2.350000
Total energy: -39.939753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.939753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.939753 (E_RNA)
where:
Base-Base interactions energy: -6.305
where: short stacking energy: -5.820
Base-Backbone interact. energy: 0.311
local terms energy: -33.945966
where:
bonds (distance) C4'-P energy: -8.264
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: 12.040
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: 2
=====================================
Write number: 329
Temperature: 2.366667
Total energy: -41.522540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.522540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.522540 (E_RNA)
where:
Base-Base interactions energy: -6.527
where: short stacking energy: -6.527
Base-Backbone interact. energy: 0.473
local terms energy: -35.468735
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -9.612
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: 4.396
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: 6
=====================================
Write number: 329
Temperature: 2.383333
Total energy: -44.682578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.682578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.682578 (E_RNA)
where:
Base-Base interactions energy: -3.617
where: short stacking energy: -2.526
Base-Backbone interact. energy: -0.300
local terms energy: -40.765741
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -2.288
flat angles P-C4'-P energy: -9.949
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: 4, replica: 5
=====================================
Write number: 329
Temperature: 2.400000
Total energy: -40.323649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.323649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.323649 (E_RNA)
where:
Base-Base interactions energy: -12.149
where: short stacking energy: -10.317
Base-Backbone interact. energy: -0.612
local terms energy: -27.563023
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -7.265
flat angles P-C4'-P energy: -5.409
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: 7
=====================================
Write number: 329
Temperature: 2.416667
Total energy: -33.323588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.323588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.323588 (E_RNA)
where:
Base-Base interactions energy: -0.958
where: short stacking energy: -0.316
Base-Backbone interact. energy: 3.160
local terms energy: -35.525046
where:
bonds (distance) C4'-P energy: -7.078
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: 7.570
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: 8
=====================================
Write number: 329
Temperature: 2.433333
Total energy: -37.349444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.349444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.349444 (E_RNA)
where:
Base-Base interactions energy: -8.546
where: short stacking energy: -4.068
Base-Backbone interact. energy: -0.224
local terms energy: -28.579117
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -4.255
flat angles P-C4'-P energy: 0.830
tors. eta vs tors. theta energy: 4.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 329
Temperature: 2.450000
Total energy: -39.725427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.725427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.725427 (E_RNA)
where:
Base-Base interactions energy: -11.844
where: short stacking energy: -11.630
Base-Backbone interact. energy: -0.743
local terms energy: -27.138591
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -8.207
flat angles P-C4'-P energy: -4.706
tors. eta vs tors. theta energy: 12.161
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: 329
Temperature: 2.466667
Total energy: -38.515904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.515904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.515904 (E_RNA)
where:
Base-Base interactions energy: -5.771
where: short stacking energy: -5.771
Base-Backbone interact. energy: -0.050
local terms energy: -32.695050
where:
bonds (distance) C4'-P energy: -7.048
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -0.745
tors. eta vs tors. theta energy: 6.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 329
Temperature: 2.483333
Total energy: -35.138493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.138493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.138493 (E_RNA)
where:
Base-Base interactions energy: -10.738
where: short stacking energy: -10.738
Base-Backbone interact. energy: -1.097
local terms energy: -23.303526
where:
bonds (distance) C4'-P energy: -5.644
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -7.639
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: 6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 2.500000
Total energy: -35.805241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.805241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.805241 (E_RNA)
where:
Base-Base interactions energy: -14.847
where: short stacking energy: -12.048
Base-Backbone interact. energy: -0.073
local terms energy: -20.885972
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: 6.148
flat angles P-C4'-P energy: -7.331
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: 2
=====================================
Write number: 330
Temperature: 2.350000
Total energy: -43.085669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.085669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.085669 (E_RNA)
where:
Base-Base interactions energy: -12.287
where: short stacking energy: -12.221
Base-Backbone interact. energy: 1.040
local terms energy: -31.839213
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -3.441
flat angles P-C4'-P energy: -4.844
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: 2, replica: 4
=====================================
Write number: 330
Temperature: 2.366667
Total energy: -38.358363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.358363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.358363 (E_RNA)
where:
Base-Base interactions energy: -9.756
where: short stacking energy: -10.256
Base-Backbone interact. energy: -0.856
local terms energy: -27.746067
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: 4.327
tors. eta vs tors. theta energy: 5.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 330
Temperature: 2.383333
Total energy: -42.187142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.187142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.187142 (E_RNA)
where:
Base-Base interactions energy: -9.490
where: short stacking energy: -8.397
Base-Backbone interact. energy: 5.028
local terms energy: -37.725001
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -4.285
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: 4, replica: 6
=====================================
Write number: 330
Temperature: 2.400000
Total energy: -40.780015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.780015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.780015 (E_RNA)
where:
Base-Base interactions energy: -13.627
where: short stacking energy: -11.807
Base-Backbone interact. energy: -0.134
local terms energy: -27.019376
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -8.717
flat angles C4'-P-C4' energy: -1.228
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: 3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 330
Temperature: 2.416667
Total energy: -39.078035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.078035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.078035 (E_RNA)
where:
Base-Base interactions energy: -12.053
where: short stacking energy: -12.053
Base-Backbone interact. energy: -0.256
local terms energy: -26.769012
where:
bonds (distance) C4'-P energy: -6.706
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -7.544
flat angles P-C4'-P energy: -0.377
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: 6, replica: 7
=====================================
Write number: 330
Temperature: 2.433333
Total energy: -39.658150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.658150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.658150 (E_RNA)
where:
Base-Base interactions energy: -4.345
where: short stacking energy: -2.846
Base-Backbone interact. energy: -0.121
local terms energy: -35.191858
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -8.743
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: 7, replica: 10
=====================================
Write number: 330
Temperature: 2.450000
Total energy: -34.031031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.031031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.031031 (E_RNA)
where:
Base-Base interactions energy: -2.689
where: short stacking energy: -2.689
Base-Backbone interact. energy: 4.023
local terms energy: -35.364704
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -7.842
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: 8, replica: 3
=====================================
Write number: 330
Temperature: 2.466667
Total energy: -38.152626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.152626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.152626 (E_RNA)
where:
Base-Base interactions energy: -12.347
where: short stacking energy: -12.347
Base-Backbone interact. energy: 0.538
local terms energy: -26.344106
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -6.647
flat angles C4'-P-C4' energy: -3.634
flat angles P-C4'-P energy: -7.792
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: 9, replica: 9
=====================================
Write number: 330
Temperature: 2.483333
Total energy: -35.281093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.281093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.281093 (E_RNA)
where:
Base-Base interactions energy: -10.484
where: short stacking energy: -9.114
Base-Backbone interact. energy: -0.472
local terms energy: -24.325383
where:
bonds (distance) C4'-P energy: -6.057
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -7.148
flat angles P-C4'-P energy: -2.555
tors. eta vs tors. theta energy: 3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 330
Temperature: 2.500000
Total energy: -35.473008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.473008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.473008 (E_RNA)
where:
Base-Base interactions energy: -10.653
where: short stacking energy: -10.853
Base-Backbone interact. energy: -0.104
local terms energy: -24.716745
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -4.247
flat angles P-C4'-P energy: 2.317
tors. eta vs tors. theta energy: 8.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 2.350000
Total energy: -39.964349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.964349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.964349 (E_RNA)
where:
Base-Base interactions energy: -15.263
where: short stacking energy: -12.141
Base-Backbone interact. energy: 0.019
local terms energy: -24.720451
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -9.126
flat angles C4'-P-C4' energy: -7.348
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: 7.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 331
Temperature: 2.366667
Total energy: -41.626577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.626577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.626577 (E_RNA)
where:
Base-Base interactions energy: -4.411
where: short stacking energy: -3.627
Base-Backbone interact. energy: -0.187
local terms energy: -37.028365
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -7.123
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: 9.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 331
Temperature: 2.383333
Total energy: -40.162393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.162393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.162393 (E_RNA)
where:
Base-Base interactions energy: -11.138
where: short stacking energy: -10.496
Base-Backbone interact. energy: -0.467
local terms energy: -28.557399
where:
bonds (distance) C4'-P energy: -6.824
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -8.092
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: 7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 331
Temperature: 2.400000
Total energy: -37.323727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.323727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.323727 (E_RNA)
where:
Base-Base interactions energy: -3.643
where: short stacking energy: -3.643
Base-Backbone interact. energy: -0.632
local terms energy: -33.049173
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: 10.535
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: 5, replica: 6
=====================================
Write number: 331
Temperature: 2.416667
Total energy: -38.671665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.671665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.671665 (E_RNA)
where:
Base-Base interactions energy: -8.809
where: short stacking energy: -2.442
Base-Backbone interact. energy: -0.580
local terms energy: -29.282559
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -6.637
flat angles P-C4'-P energy: -0.934
tors. eta vs tors. theta energy: 10.602
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: 10
=====================================
Write number: 331
Temperature: 2.433333
Total energy: -30.617472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.617472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.617472 (E_RNA)
where:
Base-Base interactions energy: -6.375
where: short stacking energy: -5.141
Base-Backbone interact. energy: 1.771
local terms energy: -26.012909
where:
bonds (distance) C4'-P energy: -7.817
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -9.178
flat angles P-C4'-P energy: -3.552
tors. eta vs tors. theta energy: 10.190
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: 7
=====================================
Write number: 331
Temperature: 2.450000
Total energy: -34.615295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.615295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.615295 (E_RNA)
where:
Base-Base interactions energy: -5.040
where: short stacking energy: -5.565
Base-Backbone interact. energy: -0.106
local terms energy: -29.469153
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -4.130
flat angles P-C4'-P energy: -1.592
tors. eta vs tors. theta energy: 7.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 331
Temperature: 2.466667
Total energy: -42.008566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.008566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.008566 (E_RNA)
where:
Base-Base interactions energy: -10.166
where: short stacking energy: -8.911
Base-Backbone interact. energy: 0.666
local terms energy: -32.508401
where:
bonds (distance) C4'-P energy: -8.418
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -5.626
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: 1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 331
Temperature: 2.483333
Total energy: -37.577700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.577700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.577700 (E_RNA)
where:
Base-Base interactions energy: -2.113
where: short stacking energy: -2.113
Base-Backbone interact. energy: 0.075
local terms energy: -35.539958
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -10.292
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: 9.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 331
Temperature: 2.500000
Total energy: -35.931813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.931813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.931813 (E_RNA)
where:
Base-Base interactions energy: -4.209
where: short stacking energy: -5.271
Base-Backbone interact. energy: -0.156
local terms energy: -31.566831
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -8.075
flat angles C4'-P-C4' energy: -4.310
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: 3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 332
Temperature: 2.350000
Total energy: -37.321541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.321541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.321541 (E_RNA)
where:
Base-Base interactions energy: -7.520
where: short stacking energy: -4.692
Base-Backbone interact. energy: -0.114
local terms energy: -29.687662
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: 6.050
tors. eta vs tors. theta energy: 6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 332
Temperature: 2.366667
Total energy: -40.307801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.307801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.307801 (E_RNA)
where:
Base-Base interactions energy: -9.635
where: short stacking energy: -8.081
Base-Backbone interact. energy: 1.686
local terms energy: -32.359242
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -10.328
flat angles C4'-P-C4' energy: -7.257
flat angles P-C4'-P energy: -7.018
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: 3, replica: 8
=====================================
Write number: 332
Temperature: 2.383333
Total energy: -36.331147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.331147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.331147 (E_RNA)
where:
Base-Base interactions energy: -16.428
where: short stacking energy: -16.428
Base-Backbone interact. energy: 3.483
local terms energy: -23.385753
where:
bonds (distance) C4'-P energy: -4.968
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -7.841
flat angles P-C4'-P energy: 1.127
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: 4, replica: 4
=====================================
Write number: 332
Temperature: 2.400000
Total energy: -47.458411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.458411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.458411 (E_RNA)
where:
Base-Base interactions energy: -9.506
where: short stacking energy: -7.651
Base-Backbone interact. energy: -0.280
local terms energy: -37.673216
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -7.153
flat angles P-C4'-P energy: 0.861
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: 5, replica: 10
=====================================
Write number: 332
Temperature: 2.416667
Total energy: -33.540532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.540532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.540532 (E_RNA)
where:
Base-Base interactions energy: -2.000
where: short stacking energy: -2.000
Base-Backbone interact. energy: -0.194
local terms energy: -31.345886
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -5.324
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: 5.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 332
Temperature: 2.433333
Total energy: -37.976811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.976811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.976811 (E_RNA)
where:
Base-Base interactions energy: -6.142
where: short stacking energy: -5.238
Base-Backbone interact. energy: 0.039
local terms energy: -31.874373
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -7.541
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: 5.480
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: 9
=====================================
Write number: 332
Temperature: 2.450000
Total energy: -43.551681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.551681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.551681 (E_RNA)
where:
Base-Base interactions energy: -10.092
where: short stacking energy: -9.489
Base-Backbone interact. energy: -0.400
local terms energy: -33.060278
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -6.766
flat angles P-C4'-P energy: -0.006
tors. eta vs tors. theta energy: 5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 332
Temperature: 2.466667
Total energy: -39.457233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.457233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.457233 (E_RNA)
where:
Base-Base interactions energy: -5.541
where: short stacking energy: -5.541
Base-Backbone interact. energy: -0.119
local terms energy: -33.796846
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -9.868
flat angles C4'-P-C4' energy: -8.012
flat angles P-C4'-P energy: -10.154
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: 9, replica: 1
=====================================
Write number: 332
Temperature: 2.483333
Total energy: -37.575228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.575228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.575228 (E_RNA)
where:
Base-Base interactions energy: -3.688
where: short stacking energy: -3.552
Base-Backbone interact. energy: -0.096
local terms energy: -33.791092
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: 1.115
tors. eta vs tors. theta energy: 5.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 332
Temperature: 2.500000
Total energy: -41.926954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.926954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.926954 (E_RNA)
where:
Base-Base interactions energy: -19.163
where: short stacking energy: -17.785
Base-Backbone interact. energy: -0.261
local terms energy: -22.503038
where:
bonds (distance) C4'-P energy: -6.630
bonds (distance) P-C4' energy: -6.642
flat angles C4'-P-C4' energy: -9.950
flat angles P-C4'-P energy: -1.329
tors. eta vs tors. theta energy: 2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 333
Temperature: 2.350000
Total energy: -42.525044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.525044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.525044 (E_RNA)
where:
Base-Base interactions energy: -10.971
where: short stacking energy: -10.909
Base-Backbone interact. energy: 2.375
local terms energy: -33.929180
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -4.001
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: 8.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 333
Temperature: 2.366667
Total energy: -39.974959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.974959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.974959 (E_RNA)
where:
Base-Base interactions energy: -10.521
where: short stacking energy: -8.234
Base-Backbone interact. energy: -0.455
local terms energy: -28.998601
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -0.284
tors. eta vs tors. theta energy: 9.068
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: 333
Temperature: 2.383333
Total energy: -36.677251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.677251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.677251 (E_RNA)
where:
Base-Base interactions energy: -3.064
where: short stacking energy: -1.984
Base-Backbone interact. energy: -0.092
local terms energy: -33.521226
where:
bonds (distance) C4'-P energy: -6.110
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -3.257
tors. eta vs tors. theta energy: 4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 333
Temperature: 2.400000
Total energy: -36.011824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.011824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.011824 (E_RNA)
where:
Base-Base interactions energy: -3.473
where: short stacking energy: -3.216
Base-Backbone interact. energy: 0.408
local terms energy: -32.946780
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -5.157
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -4.949
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: 5, replica: 4
=====================================
Write number: 333
Temperature: 2.416667
Total energy: -43.027454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.027454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.027454 (E_RNA)
where:
Base-Base interactions energy: -13.764
where: short stacking energy: -12.526
Base-Backbone interact. energy: 0.852
local terms energy: -30.114824
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -6.483
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: 7.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 333
Temperature: 2.433333
Total energy: -33.798490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.798490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.798490 (E_RNA)
where:
Base-Base interactions energy: -6.752
where: short stacking energy: -3.544
Base-Backbone interact. energy: -0.095
local terms energy: -26.951345
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -8.518
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: 2.297
tors. eta vs tors. theta energy: 7.963
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: 6
=====================================
Write number: 333
Temperature: 2.450000
Total energy: -36.678801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.678801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.678801 (E_RNA)
where:
Base-Base interactions energy: -5.570
where: short stacking energy: -4.052
Base-Backbone interact. energy: -0.249
local terms energy: -30.860308
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -1.654
tors. eta vs tors. theta energy: 9.890
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: 1
=====================================
Write number: 333
Temperature: 2.466667
Total energy: -38.549450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.549450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.549450 (E_RNA)
where:
Base-Base interactions energy: -10.741
where: short stacking energy: -10.741
Base-Backbone interact. energy: -0.119
local terms energy: -27.689658
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -0.192
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: 7.848
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: 7
=====================================
Write number: 333
Temperature: 2.483333
Total energy: -30.988451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.988451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.988451 (E_RNA)
where:
Base-Base interactions energy: -5.911
where: short stacking energy: -5.789
Base-Backbone interact. energy: -0.264
local terms energy: -24.813600
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -7.161
flat angles C4'-P-C4' energy: -5.571
flat angles P-C4'-P energy: -2.131
tors. eta vs tors. theta energy: 5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 333
Temperature: 2.500000
Total energy: -36.103227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.103227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.103227 (E_RNA)
where:
Base-Base interactions energy: -6.542
where: short stacking energy: -4.887
Base-Backbone interact. energy: 0.415
local terms energy: -29.975561
where:
bonds (distance) C4'-P energy: -7.690
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: 10.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 334
Temperature: 2.350000
Total energy: -42.485879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.485879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.485879 (E_RNA)
where:
Base-Base interactions energy: -4.601
where: short stacking energy: -2.524
Base-Backbone interact. energy: -0.497
local terms energy: -37.387929
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -3.680
tors. eta vs tors. theta energy: 6.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 334
Temperature: 2.366667
Total energy: -42.523851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.523851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.523851 (E_RNA)
where:
Base-Base interactions energy: -8.782
where: short stacking energy: -8.489
Base-Backbone interact. energy: -0.213
local terms energy: -33.528685
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -8.637
flat angles P-C4'-P energy: -4.348
tors. eta vs tors. theta energy: 7.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 334
Temperature: 2.383333
Total energy: -35.973550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.973550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.973550 (E_RNA)
where:
Base-Base interactions energy: -14.645
where: short stacking energy: -14.645
Base-Backbone interact. energy: -0.131
local terms energy: -21.197024
where:
bonds (distance) C4'-P energy: -5.802
bonds (distance) P-C4' energy: -6.697
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -1.653
tors. eta vs tors. theta energy: 8.417
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: 2
=====================================
Write number: 334
Temperature: 2.400000
Total energy: -34.856418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.856418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.856418 (E_RNA)
where:
Base-Base interactions energy: -11.355
where: short stacking energy: -5.782
Base-Backbone interact. energy: 0.151
local terms energy: -23.653148
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -1.866
flat angles P-C4'-P energy: 1.704
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: 5, replica: 9
=====================================
Write number: 334
Temperature: 2.416667
Total energy: -38.279167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.279167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.279167 (E_RNA)
where:
Base-Base interactions energy: -2.870
where: short stacking energy: -2.870
Base-Backbone interact. energy: 1.441
local terms energy: -36.850213
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -9.002
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: 5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 334
Temperature: 2.433333
Total energy: -40.563052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.563052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.563052 (E_RNA)
where:
Base-Base interactions energy: -19.103
where: short stacking energy: -15.005
Base-Backbone interact. energy: 2.172
local terms energy: -23.631912
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -9.422
flat angles C4'-P-C4' energy: -5.247
flat angles P-C4'-P energy: -0.560
tors. eta vs tors. theta energy: 2.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 334
Temperature: 2.450000
Total energy: -32.359842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.359842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.359842 (E_RNA)
where:
Base-Base interactions energy: -7.887
where: short stacking energy: -7.887
Base-Backbone interact. energy: -0.288
local terms energy: -24.185532
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: 1.535
flat angles P-C4'-P energy: -0.994
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: 8, replica: 6
=====================================
Write number: 334
Temperature: 2.466667
Total energy: -37.405996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.405996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.405996 (E_RNA)
where:
Base-Base interactions energy: -7.708
where: short stacking energy: -6.596
Base-Backbone interact. energy: 1.567
local terms energy: -31.265725
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -8.351
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: 3.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 334
Temperature: 2.483333
Total energy: -40.252052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.252052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.252052 (E_RNA)
where:
Base-Base interactions energy: -5.661
where: short stacking energy: -5.899
Base-Backbone interact. energy: 0.123
local terms energy: -34.714467
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: 6.862
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: 7
=====================================
Write number: 334
Temperature: 2.500000
Total energy: -33.429608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.429608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.429608 (E_RNA)
where:
Base-Base interactions energy: -5.592
where: short stacking energy: -4.872
Base-Backbone interact. energy: -0.148
local terms energy: -27.688756
where:
bonds (distance) C4'-P energy: -7.347
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -8.111
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: 9.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 335
Temperature: 2.350000
Total energy: -34.662675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.662675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.662675 (E_RNA)
where:
Base-Base interactions energy: -5.568
where: short stacking energy: -2.652
Base-Backbone interact. energy: -0.098
local terms energy: -28.996775
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -8.667
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: 8.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 335
Temperature: 2.366667
Total energy: -39.514449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.514449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.514449 (E_RNA)
where:
Base-Base interactions energy: -15.111
where: short stacking energy: -5.490
Base-Backbone interact. energy: 1.290
local terms energy: -25.692857
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -2.750
flat angles C4'-P-C4' energy: -5.963
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: 4.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 335
Temperature: 2.383333
Total energy: -36.152100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.152100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.152100 (E_RNA)
where:
Base-Base interactions energy: -9.004
where: short stacking energy: -7.915
Base-Backbone interact. energy: -0.726
local terms energy: -26.422767
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -6.216
flat angles C4'-P-C4' energy: -1.923
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: 3.100
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: 4, replica: 9
=====================================
Write number: 335
Temperature: 2.400000
Total energy: -38.891271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.891271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.891271 (E_RNA)
where:
Base-Base interactions energy: -12.475
where: short stacking energy: -10.914
Base-Backbone interact. energy: -0.366
local terms energy: -26.050939
where:
bonds (distance) C4'-P energy: -8.101
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -7.663
flat angles P-C4'-P energy: 0.933
tors. eta vs tors. theta energy: 2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 335
Temperature: 2.416667
Total energy: -41.066024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.066024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.066024 (E_RNA)
where:
Base-Base interactions energy: -2.323
where: short stacking energy: -0.207
Base-Backbone interact. energy: 0.570
local terms energy: -39.312919
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: 5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 2.433333
Total energy: -36.362367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.362367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.362367 (E_RNA)
where:
Base-Base interactions energy: -9.786
where: short stacking energy: -9.786
Base-Backbone interact. energy: 2.482
local terms energy: -29.057641
where:
bonds (distance) C4'-P energy: -7.259
bonds (distance) P-C4' energy: -10.962
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -1.326
tors. eta vs tors. theta energy: 4.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 335
Temperature: 2.450000
Total energy: -33.893917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.893917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.893917 (E_RNA)
where:
Base-Base interactions energy: -8.543
where: short stacking energy: -7.397
Base-Backbone interact. energy: -0.256
local terms energy: -25.094836
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -9.340
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -1.064
tors. eta vs tors. theta energy: 7.821
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: 3
=====================================
Write number: 335
Temperature: 2.466667
Total energy: -36.581033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.581033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.581033 (E_RNA)
where:
Base-Base interactions energy: -6.709
where: short stacking energy: -6.709
Base-Backbone interact. energy: -0.954
local terms energy: -28.918340
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -3.546
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: 5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 335
Temperature: 2.483333
Total energy: -42.638457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.638457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.638457 (E_RNA)
where:
Base-Base interactions energy: -10.162
where: short stacking energy: -10.162
Base-Backbone interact. energy: -0.048
local terms energy: -32.429172
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -2.641
flat angles P-C4'-P energy: -4.115
tors. eta vs tors. theta energy: 2.109
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: 7
=====================================
Write number: 335
Temperature: 2.500000
Total energy: -29.506738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.506738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.506738 (E_RNA)
where:
Base-Base interactions energy: -10.343
where: short stacking energy: -4.815
Base-Backbone interact. energy: 1.004
local terms energy: -20.167346
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -10.375
flat angles C4'-P-C4' energy: -7.883
flat angles P-C4'-P energy: 0.148
tors. eta vs tors. theta energy: 8.221
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: 336
Temperature: 2.350000
Total energy: -38.324985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.324985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.324985 (E_RNA)
where:
Base-Base interactions energy: -11.702
where: short stacking energy: -9.412
Base-Backbone interact. energy: -0.416
local terms energy: -26.206537
where:
bonds (distance) C4'-P energy: -8.440
bonds (distance) P-C4' energy: -8.452
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -2.224
tors. eta vs tors. theta energy: 4.165
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: 2, replica: 8
=====================================
Write number: 336
Temperature: 2.366667
Total energy: -38.466809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.466809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.466809 (E_RNA)
where:
Base-Base interactions energy: -7.523
where: short stacking energy: -7.341
Base-Backbone interact. energy: 0.786
local terms energy: -31.729573
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -3.663
tors. eta vs tors. theta energy: 5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 2.383333
Total energy: -36.158415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.158415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.158415 (E_RNA)
where:
Base-Base interactions energy: -1.469
where: short stacking energy: -1.469
Base-Backbone interact. energy: -0.310
local terms energy: -34.378580
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -7.154
flat angles P-C4'-P energy: -4.917
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: 4, replica: 5
=====================================
Write number: 336
Temperature: 2.400000
Total energy: -37.425704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.425704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.425704 (E_RNA)
where:
Base-Base interactions energy: -3.781
where: short stacking energy: -1.523
Base-Backbone interact. energy: 0.178
local terms energy: -33.822289
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -5.131
tors. eta vs tors. theta energy: 10.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 336
Temperature: 2.416667
Total energy: -36.240413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.240413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.240413 (E_RNA)
where:
Base-Base interactions energy: -10.398
where: short stacking energy: -4.211
Base-Backbone interact. energy: 2.984
local terms energy: -28.825925
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -9.721
flat angles C4'-P-C4' energy: -8.821
flat angles P-C4'-P energy: -4.951
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: 6, replica: 2
=====================================
Write number: 336
Temperature: 2.433333
Total energy: -49.588104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.588104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.588104 (E_RNA)
where:
Base-Base interactions energy: -13.624
where: short stacking energy: -13.624
Base-Backbone interact. energy: -0.029
local terms energy: -35.935798
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -10.035
flat angles C4'-P-C4' energy: -8.349
flat angles P-C4'-P energy: -4.499
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: 7, replica: 3
=====================================
Write number: 336
Temperature: 2.450000
Total energy: -41.603396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.603396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.603396 (E_RNA)
where:
Base-Base interactions energy: -4.391
where: short stacking energy: -4.955
Base-Backbone interact. energy: 0.649
local terms energy: -37.860998
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -6.346
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: 7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 336
Temperature: 2.466667
Total energy: -31.254294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.254294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.254294 (E_RNA)
where:
Base-Base interactions energy: -5.723
where: short stacking energy: -4.972
Base-Backbone interact. energy: -0.826
local terms energy: -24.705282
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -5.157
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: 9.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 2.483333
Total energy: -41.712261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.712261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.712261 (E_RNA)
where:
Base-Base interactions energy: -6.154
where: short stacking energy: -2.111
Base-Backbone interact. energy: -0.252
local terms energy: -35.306493
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: 10.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 336
Temperature: 2.500000
Total energy: -34.876391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.876391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.876391 (E_RNA)
where:
Base-Base interactions energy: -4.770
where: short stacking energy: -1.857
Base-Backbone interact. energy: -1.091
local terms energy: -29.015637
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -1.203
tors. eta vs tors. theta energy: 12.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 337
Temperature: 2.350000
Total energy: -42.177712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.177712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.177712 (E_RNA)
where:
Base-Base interactions energy: -15.911
where: short stacking energy: -14.497
Base-Backbone interact. energy: 1.447
local terms energy: -27.713527
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -6.813
flat angles P-C4'-P energy: -0.995
tors. eta vs tors. theta energy: 5.061
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: 9
=====================================
Write number: 337
Temperature: 2.366667
Total energy: -35.906251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.906251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.906251 (E_RNA)
where:
Base-Base interactions energy: -12.244
where: short stacking energy: -10.490
Base-Backbone interact. energy: -0.127
local terms energy: -23.535813
where:
bonds (distance) C4'-P energy: -5.106
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -4.326
flat angles P-C4'-P energy: -4.204
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: 3, replica: 8
=====================================
Write number: 337
Temperature: 2.383333
Total energy: -39.700374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.700374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.700374 (E_RNA)
where:
Base-Base interactions energy: -5.656
where: short stacking energy: -4.629
Base-Backbone interact. energy: 0.502
local terms energy: -34.546466
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -7.389
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: 7.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 337
Temperature: 2.400000
Total energy: -46.081387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.081387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.081387 (E_RNA)
where:
Base-Base interactions energy: -3.486
where: short stacking energy: -3.486
Base-Backbone interact. energy: -0.198
local terms energy: -42.396913
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -6.294
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: 5
=====================================
Write number: 337
Temperature: 2.416667
Total energy: -40.357695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.357695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.357695 (E_RNA)
where:
Base-Base interactions energy: -12.136
where: short stacking energy: -9.783
Base-Backbone interact. energy: 3.904
local terms energy: -32.126038
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -20.656
flat angles C4'-P-C4' energy: 2.765
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: 6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 337
Temperature: 2.433333
Total energy: -38.978015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.978015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.978015 (E_RNA)
where:
Base-Base interactions energy: -8.851
where: short stacking energy: -7.411
Base-Backbone interact. energy: -0.125
local terms energy: -30.002323
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -7.716
flat angles C4'-P-C4' energy: -8.693
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: 7.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 337
Temperature: 2.450000
Total energy: -40.423468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.423468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.423468 (E_RNA)
where:
Base-Base interactions energy: -10.263
where: short stacking energy: -9.881
Base-Backbone interact. energy: -0.134
local terms energy: -30.026588
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -7.294
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -1.517
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: 8, replica: 7
=====================================
Write number: 337
Temperature: 2.466667
Total energy: -36.090981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.090981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.090981 (E_RNA)
where:
Base-Base interactions energy: -5.391
where: short stacking energy: -4.317
Base-Backbone interact. energy: -0.164
local terms energy: -30.536224
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -2.922
tors. eta vs tors. theta energy: 8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 337
Temperature: 2.483333
Total energy: -33.284224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.284224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.284224 (E_RNA)
where:
Base-Base interactions energy: -9.345
where: short stacking energy: -2.611
Base-Backbone interact. energy: -0.263
local terms energy: -23.676124
where:
bonds (distance) C4'-P energy: -6.759
bonds (distance) P-C4' energy: -6.760
flat angles C4'-P-C4' energy: -9.024
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: 7.315
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: 6
=====================================
Write number: 337
Temperature: 2.500000
Total energy: -35.581855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.581855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.581855 (E_RNA)
where:
Base-Base interactions energy: -4.630
where: short stacking energy: -2.528
Base-Backbone interact. energy: -0.360
local terms energy: -30.591595
where:
bonds (distance) C4'-P energy: -9.115
bonds (distance) P-C4' energy: -10.049
flat angles C4'-P-C4' energy: -5.439
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: 1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 338
Temperature: 2.350000
Total energy: -44.062187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.062187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.062187 (E_RNA)
where:
Base-Base interactions energy: -8.404
where: short stacking energy: -8.884
Base-Backbone interact. energy: 1.155
local terms energy: -36.813338
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -17.729
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: 7.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 338
Temperature: 2.366667
Total energy: -38.910168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.910168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.910168 (E_RNA)
where:
Base-Base interactions energy: -4.809
where: short stacking energy: -4.065
Base-Backbone interact. energy: -0.450
local terms energy: -33.651675
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -8.632
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: 9.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 338
Temperature: 2.383333
Total energy: -42.742992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.742992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.742992 (E_RNA)
where:
Base-Base interactions energy: -5.975
where: short stacking energy: -5.013
Base-Backbone interact. energy: -0.737
local terms energy: -36.030452
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: 8.295
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: 4, replica: 8
=====================================
Write number: 338
Temperature: 2.400000
Total energy: -35.118718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.118718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.118718 (E_RNA)
where:
Base-Base interactions energy: -6.427
where: short stacking energy: -3.540
Base-Backbone interact. energy: -0.199
local terms energy: -28.492968
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -2.907
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -3.356
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: 5, replica: 3
=====================================
Write number: 338
Temperature: 2.416667
Total energy: -40.523194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.523194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.523194 (E_RNA)
where:
Base-Base interactions energy: -5.535
where: short stacking energy: -5.228
Base-Backbone interact. energy: 3.726
local terms energy: -38.713960
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -9.544
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: 6.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 338
Temperature: 2.433333
Total energy: -41.506289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.506289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.506289 (E_RNA)
where:
Base-Base interactions energy: -11.039
where: short stacking energy: -8.266
Base-Backbone interact. energy: -0.948
local terms energy: -29.519895
where:
bonds (distance) C4'-P energy: -7.035
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -0.699
tors. eta vs tors. theta energy: 6.606
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: 7
=====================================
Write number: 338
Temperature: 2.450000
Total energy: -34.151326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.151326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.151326 (E_RNA)
where:
Base-Base interactions energy: -5.879
where: short stacking energy: -5.288
Base-Backbone interact. energy: -0.027
local terms energy: -28.245155
where:
bonds (distance) C4'-P energy: -6.843
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -1.061
tors. eta vs tors. theta energy: 9.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 338
Temperature: 2.466667
Total energy: -34.108396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.108396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.108396 (E_RNA)
where:
Base-Base interactions energy: -10.373
where: short stacking energy: -10.160
Base-Backbone interact. energy: -0.368
local terms energy: -23.367646
where:
bonds (distance) C4'-P energy: -2.419
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -4.737
flat angles P-C4'-P energy: -6.915
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: 9, replica: 6
=====================================
Write number: 338
Temperature: 2.483333
Total energy: -35.249356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.249356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.249356 (E_RNA)
where:
Base-Base interactions energy: -1.396
where: short stacking energy: -1.922
Base-Backbone interact. energy: 5.264
local terms energy: -39.117925
where:
bonds (distance) C4'-P energy: -8.238
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: 9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 338
Temperature: 2.500000
Total energy: -38.203763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.203763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.203763 (E_RNA)
where:
Base-Base interactions energy: -8.882
where: short stacking energy: -8.882
Base-Backbone interact. energy: 1.673
local terms energy: -30.995235
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -7.337
flat angles C4'-P-C4' energy: -5.653
flat angles P-C4'-P energy: -9.367
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: 9
=====================================
Write number: 339
Temperature: 2.350000
Total energy: -36.085311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.085311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.085311 (E_RNA)
where:
Base-Base interactions energy: -7.805
where: short stacking energy: -7.805
Base-Backbone interact. energy: 1.519
local terms energy: -29.799561
where:
bonds (distance) C4'-P energy: -9.070
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: 10.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 339
Temperature: 2.366667
Total energy: -40.615202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.615202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.615202 (E_RNA)
where:
Base-Base interactions energy: -10.267
where: short stacking energy: -9.137
Base-Backbone interact. energy: -0.214
local terms energy: -30.134170
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -7.535
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: 10.391
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: 10
=====================================
Write number: 339
Temperature: 2.383333
Total energy: -42.067952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.067952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.067952 (E_RNA)
where:
Base-Base interactions energy: -18.669
where: short stacking energy: -14.885
Base-Backbone interact. energy: -0.067
local terms energy: -23.331947
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -2.720
flat angles C4'-P-C4' energy: -8.378
flat angles P-C4'-P energy: -1.442
tors. eta vs tors. theta energy: 3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 2.400000
Total energy: -34.726701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.726701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.726701 (E_RNA)
where:
Base-Base interactions energy: -5.177
where: short stacking energy: -2.253
Base-Backbone interact. energy: 0.642
local terms energy: -30.191306
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -2.990
tors. eta vs tors. theta energy: 9.967
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: 5, replica: 8
=====================================
Write number: 339
Temperature: 2.416667
Total energy: -38.392292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.392292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.392292 (E_RNA)
where:
Base-Base interactions energy: -8.400
where: short stacking energy: -7.437
Base-Backbone interact. energy: -0.450
local terms energy: -29.541909
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -4.556
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: 8.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 339
Temperature: 2.433333
Total energy: -35.803599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.803599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.803599 (E_RNA)
where:
Base-Base interactions energy: -7.469
where: short stacking energy: -3.626
Base-Backbone interact. energy: -0.100
local terms energy: -28.235045
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -2.501
tors. eta vs tors. theta energy: 11.332
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: 7, replica: 5
=====================================
Write number: 339
Temperature: 2.450000
Total energy: -43.505481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.505481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.505481 (E_RNA)
where:
Base-Base interactions energy: -9.315
where: short stacking energy: -6.571
Base-Backbone interact. energy: -0.429
local terms energy: -33.761483
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -0.428
flat angles P-C4'-P energy: -6.320
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: 8, replica: 6
=====================================
Write number: 339
Temperature: 2.466667
Total energy: -35.000538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.000538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.000538 (E_RNA)
where:
Base-Base interactions energy: -2.386
where: short stacking energy: -2.253
Base-Backbone interact. energy: -0.265
local terms energy: -32.348836
where:
bonds (distance) C4'-P energy: -9.063
bonds (distance) P-C4' energy: -8.747
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -8.290
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: 9, replica: 2
=====================================
Write number: 339
Temperature: 2.483333
Total energy: -44.408390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.408390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.408390 (E_RNA)
where:
Base-Base interactions energy: -14.075
where: short stacking energy: -11.703
Base-Backbone interact. energy: 0.258
local terms energy: -30.592109
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: 7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 339
Temperature: 2.500000
Total energy: -42.647924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.647924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.647924 (E_RNA)
where:
Base-Base interactions energy: -0.440
where: short stacking energy: -1.140
Base-Backbone interact. energy: 0.149
local terms energy: -42.357412
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: 6.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 340
Temperature: 2.350000
Total energy: -38.987976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.987976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.987976 (E_RNA)
where:
Base-Base interactions energy: -6.835
where: short stacking energy: -6.295
Base-Backbone interact. energy: 0.247
local terms energy: -32.399880
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -8.580
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: 7.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 340
Temperature: 2.366667
Total energy: -40.271651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.271651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.271651 (E_RNA)
where:
Base-Base interactions energy: -3.238
where: short stacking energy: -3.238
Base-Backbone interact. energy: -1.312
local terms energy: -35.722178
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -9.383
flat angles C4'-P-C4' energy: -9.127
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: 1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 340
Temperature: 2.383333
Total energy: -37.953058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.953058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.953058 (E_RNA)
where:
Base-Base interactions energy: -3.719
where: short stacking energy: -3.068
Base-Backbone interact. energy: -0.445
local terms energy: -33.788747
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -5.898
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -4.553
tors. eta vs tors. theta energy: 6.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 340
Temperature: 2.400000
Total energy: -38.518737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.518737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.518737 (E_RNA)
where:
Base-Base interactions energy: -1.835
where: short stacking energy: -1.835
Base-Backbone interact. energy: -0.078
local terms energy: -36.606511
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: 0.445
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: 5, replica: 7
=====================================
Write number: 340
Temperature: 2.416667
Total energy: -37.850938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.850938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.850938 (E_RNA)
where:
Base-Base interactions energy: -4.669
where: short stacking energy: -2.531
Base-Backbone interact. energy: -1.226
local terms energy: -31.955649
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: 10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 340
Temperature: 2.433333
Total energy: -36.143354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.143354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.143354 (E_RNA)
where:
Base-Base interactions energy: -9.194
where: short stacking energy: -9.194
Base-Backbone interact. energy: -0.151
local terms energy: -26.797853
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -1.727
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: 9.937
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: 7, replica: 6
=====================================
Write number: 340
Temperature: 2.450000
Total energy: -33.936704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.936704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.936704 (E_RNA)
where:
Base-Base interactions energy: -8.497
where: short stacking energy: -4.172
Base-Backbone interact. energy: 1.790
local terms energy: -27.229359
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -3.963
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: 6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 340
Temperature: 2.466667
Total energy: -41.003419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.003419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.003419 (E_RNA)
where:
Base-Base interactions energy: -9.223
where: short stacking energy: -7.967
Base-Backbone interact. energy: 0.720
local terms energy: -32.500572
where:
bonds (distance) C4'-P energy: -8.548
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -4.649
flat angles P-C4'-P energy: -7.842
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: 9, replica: 4
=====================================
Write number: 340
Temperature: 2.483333
Total energy: -34.959348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.959348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.959348 (E_RNA)
where:
Base-Base interactions energy: -8.421
where: short stacking energy: -8.260
Base-Backbone interact. energy: 0.287
local terms energy: -26.825506
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -8.837
flat angles P-C4'-P energy: -2.108
tors. eta vs tors. theta energy: 9.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 340
Temperature: 2.500000
Total energy: -33.031910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.031910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.031910 (E_RNA)
where:
Base-Base interactions energy: -1.439
where: short stacking energy: -2.339
Base-Backbone interact. energy: -0.243
local terms energy: -31.350511
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: 10.507
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: 9
=====================================
Write number: 341
Temperature: 2.350000
Total energy: -39.216999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.216999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.216999 (E_RNA)
where:
Base-Base interactions energy: -13.838
where: short stacking energy: -11.808
Base-Backbone interact. energy: -0.777
local terms energy: -24.602432
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: 2.378
tors. eta vs tors. theta energy: 8.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 341
Temperature: 2.366667
Total energy: -32.634987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.634987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.634987 (E_RNA)
where:
Base-Base interactions energy: -5.247
where: short stacking energy: -7.867
Base-Backbone interact. energy: -0.335
local terms energy: -27.053315
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: 7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 341
Temperature: 2.383333
Total energy: -37.149217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.149217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.149217 (E_RNA)
where:
Base-Base interactions energy: -1.818
where: short stacking energy: -1.177
Base-Backbone interact. energy: -0.421
local terms energy: -34.910365
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: -1.764
tors. eta vs tors. theta energy: 7.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 341
Temperature: 2.400000
Total energy: -39.349937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.349937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.349937 (E_RNA)
where:
Base-Base interactions energy: -0.195
where: short stacking energy: -0.195
Base-Backbone interact. energy: -0.191
local terms energy: -38.963598
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -3.377
tors. eta vs tors. theta energy: 6.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 341
Temperature: 2.416667
Total energy: -40.344359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.344359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.344359 (E_RNA)
where:
Base-Base interactions energy: -7.691
where: short stacking energy: -7.991
Base-Backbone interact. energy: -0.197
local terms energy: -32.456596
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -4.750
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: 7.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 341
Temperature: 2.433333
Total energy: -34.271626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.271626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.271626 (E_RNA)
where:
Base-Base interactions energy: -9.680
where: short stacking energy: -9.680
Base-Backbone interact. energy: -0.172
local terms energy: -24.420147
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -0.758
flat angles C4'-P-C4' energy: -8.220
flat angles P-C4'-P energy: -4.548
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: 7, replica: 8
=====================================
Write number: 341
Temperature: 2.450000
Total energy: -39.023527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.023527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.023527 (E_RNA)
where:
Base-Base interactions energy: -9.631
where: short stacking energy: -9.631
Base-Backbone interact. energy: -0.123
local terms energy: -29.269030
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: 8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 341
Temperature: 2.466667
Total energy: -38.725800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.725800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.725800 (E_RNA)
where:
Base-Base interactions energy: -5.695
where: short stacking energy: -4.058
Base-Backbone interact. energy: -0.240
local terms energy: -32.791238
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -4.339
tors. eta vs tors. theta energy: 6.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 2.483333
Total energy: -35.419443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.419443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.419443 (E_RNA)
where:
Base-Base interactions energy: -14.301
where: short stacking energy: -13.792
Base-Backbone interact. energy: -0.247
local terms energy: -20.871693
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -9.482
flat angles C4'-P-C4' energy: -2.516
flat angles P-C4'-P energy: -0.067
tors. eta vs tors. theta energy: 4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 341
Temperature: 2.500000
Total energy: -36.322115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.322115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.322115 (E_RNA)
where:
Base-Base interactions energy: -4.268
where: short stacking energy: -3.724
Base-Backbone interact. energy: -0.473
local terms energy: -31.580806
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -4.910
flat angles P-C4'-P energy: -1.530
tors. eta vs tors. theta energy: 7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 342
Temperature: 2.350000
Total energy: -39.150550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.150550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.150550 (E_RNA)
where:
Base-Base interactions energy: -11.526
where: short stacking energy: -10.520
Base-Backbone interact. energy: 0.515
local terms energy: -28.139311
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: 0.524
tors. eta vs tors. theta energy: 11.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 342
Temperature: 2.366667
Total energy: -39.574234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.574234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.574234 (E_RNA)
where:
Base-Base interactions energy: -12.523
where: short stacking energy: -12.523
Base-Backbone interact. energy: -0.716
local terms energy: -26.335462
where:
bonds (distance) C4'-P energy: -2.639
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -4.114
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: 1.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 342
Temperature: 2.383333
Total energy: -41.865355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.865355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.865355 (E_RNA)
where:
Base-Base interactions energy: -5.044
where: short stacking energy: -3.965
Base-Backbone interact. energy: 0.208
local terms energy: -37.029678
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -5.363
flat angles P-C4'-P energy: -2.648
tors. eta vs tors. theta energy: 4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 342
Temperature: 2.400000
Total energy: -38.899691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.899691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.899691 (E_RNA)
where:
Base-Base interactions energy: -7.759
where: short stacking energy: -7.759
Base-Backbone interact. energy: 1.158
local terms energy: -32.298698
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -9.881
flat angles C4'-P-C4' energy: -6.630
flat angles P-C4'-P energy: -11.004
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: 5, replica: 6
=====================================
Write number: 342
Temperature: 2.416667
Total energy: -35.601351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.601351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.601351 (E_RNA)
where:
Base-Base interactions energy: -3.622
where: short stacking energy: -3.622
Base-Backbone interact. energy: -0.213
local terms energy: -31.766180
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -5.833
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: 6, replica: 3
=====================================
Write number: 342
Temperature: 2.433333
Total energy: -41.650043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.650043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.650043 (E_RNA)
where:
Base-Base interactions energy: -7.891
where: short stacking energy: -7.891
Base-Backbone interact. energy: 0.507
local terms energy: -34.266837
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -7.823
flat angles C4'-P-C4' energy: -0.682
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: 3.081
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: 5
=====================================
Write number: 342
Temperature: 2.450000
Total energy: -33.370637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.370637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.370637 (E_RNA)
where:
Base-Base interactions energy: -6.839
where: short stacking energy: -5.019
Base-Backbone interact. energy: 4.285
local terms energy: -30.816438
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -1.060
tors. eta vs tors. theta energy: 11.045
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: 342
Temperature: 2.466667
Total energy: -36.942710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.942710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.942710 (E_RNA)
where:
Base-Base interactions energy: -3.172
where: short stacking energy: -3.172
Base-Backbone interact. energy: -0.127
local terms energy: -33.643627
where:
bonds (distance) C4'-P energy: -7.902
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -3.458
tors. eta vs tors. theta energy: 6.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 342
Temperature: 2.483333
Total energy: -34.091109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.091109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.091109 (E_RNA)
where:
Base-Base interactions energy: -4.608
where: short stacking energy: 0.000
Base-Backbone interact. energy: 1.659
local terms energy: -31.142091
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -8.012
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: 10.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 342
Temperature: 2.500000
Total energy: -36.620873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.620873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.620873 (E_RNA)
where:
Base-Base interactions energy: -3.762
where: short stacking energy: -4.420
Base-Backbone interact. energy: 1.403
local terms energy: -34.261891
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -10.315
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: 11.276
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: 10
=====================================
Write number: 343
Temperature: 2.350000
Total energy: -41.301982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.301982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.301982 (E_RNA)
where:
Base-Base interactions energy: -9.420
where: short stacking energy: -9.420
Base-Backbone interact. energy: -0.421
local terms energy: -31.461420
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -2.252
flat angles P-C4'-P energy: -4.428
tors. eta vs tors. theta energy: 5.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 343
Temperature: 2.366667
Total energy: -49.186663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.186663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.186663 (E_RNA)
where:
Base-Base interactions energy: -7.124
where: short stacking energy: -6.570
Base-Backbone interact. energy: -0.486
local terms energy: -41.576474
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -7.634
flat angles P-C4'-P energy: -7.839
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: 3, replica: 9
=====================================
Write number: 343
Temperature: 2.383333
Total energy: -39.872372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.872372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.872372 (E_RNA)
where:
Base-Base interactions energy: -5.045
where: short stacking energy: -4.846
Base-Backbone interact. energy: -0.466
local terms energy: -34.361621
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: 8.295
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: 4, replica: 6
=====================================
Write number: 343
Temperature: 2.400000
Total energy: -38.280563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.280563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.280563 (E_RNA)
where:
Base-Base interactions energy: -8.897
where: short stacking energy: -4.552
Base-Backbone interact. energy: -1.065
local terms energy: -28.317798
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: 0.294
tors. eta vs tors. theta energy: 9.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 343
Temperature: 2.416667
Total energy: -41.980747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.980747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.980747 (E_RNA)
where:
Base-Base interactions energy: -4.447
where: short stacking energy: -5.847
Base-Backbone interact. energy: 1.142
local terms energy: -38.675653
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: 0.634
tors. eta vs tors. theta energy: 2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 343
Temperature: 2.433333
Total energy: -33.396114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.396114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.396114 (E_RNA)
where:
Base-Base interactions energy: -8.010
where: short stacking energy: 0.200
Base-Backbone interact. energy: 4.005
local terms energy: -29.391009
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -9.995
flat angles C4'-P-C4' energy: -10.211
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: 10.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 343
Temperature: 2.450000
Total energy: -34.593919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.593919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.593919 (E_RNA)
where:
Base-Base interactions energy: -11.906
where: short stacking energy: -11.473
Base-Backbone interact. energy: -0.230
local terms energy: -22.457222
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -6.797
flat angles C4'-P-C4' energy: -3.522
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: 7.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 343
Temperature: 2.466667
Total energy: -37.201393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.201393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.201393 (E_RNA)
where:
Base-Base interactions energy: -8.227
where: short stacking energy: -8.227
Base-Backbone interact. energy: -0.399
local terms energy: -28.574840
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -4.786
flat angles P-C4'-P energy: -4.455
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: 9, replica: 8
=====================================
Write number: 343
Temperature: 2.483333
Total energy: -34.769499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.769499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.769499 (E_RNA)
where:
Base-Base interactions energy: -7.688
where: short stacking energy: -7.688
Base-Backbone interact. energy: -0.243
local terms energy: -26.838258
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -11.861
flat angles C4'-P-C4' energy: -5.421
flat angles P-C4'-P energy: -3.123
tors. eta vs tors. theta energy: 7.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 343
Temperature: 2.500000
Total energy: -33.613400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.613400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.613400 (E_RNA)
where:
Base-Base interactions energy: -10.520
where: short stacking energy: -7.977
Base-Backbone interact. energy: 2.732
local terms energy: -25.825362
where:
bonds (distance) C4'-P energy: -7.852
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -3.607
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: 7.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 344
Temperature: 2.350000
Total energy: -42.139274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.139274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.139274 (E_RNA)
where:
Base-Base interactions energy: -9.121
where: short stacking energy: -6.679
Base-Backbone interact. energy: 1.438
local terms energy: -34.456135
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: 9.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 344
Temperature: 2.366667
Total energy: -41.472137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.472137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.472137 (E_RNA)
where:
Base-Base interactions energy: -19.202
where: short stacking energy: -17.607
Base-Backbone interact. energy: 0.252
local terms energy: -22.522349
where:
bonds (distance) C4'-P energy: -8.161
bonds (distance) P-C4' energy: -7.831
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: 4.920
tors. eta vs tors. theta energy: -1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 344
Temperature: 2.383333
Total energy: -39.010529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.010529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.010529 (E_RNA)
where:
Base-Base interactions energy: -6.501
where: short stacking energy: -4.767
Base-Backbone interact. energy: -0.966
local terms energy: -31.543250
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -3.596
tors. eta vs tors. theta energy: 10.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 344
Temperature: 2.400000
Total energy: -36.215970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.215970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.215970 (E_RNA)
where:
Base-Base interactions energy: -9.783
where: short stacking energy: -8.177
Base-Backbone interact. energy: -0.427
local terms energy: -26.006321
where:
bonds (distance) C4'-P energy: -7.584
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -6.391
flat angles P-C4'-P energy: -1.676
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: 5, replica: 5
=====================================
Write number: 344
Temperature: 2.416667
Total energy: -35.909430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.909430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.909430 (E_RNA)
where:
Base-Base interactions energy: -5.290
where: short stacking energy: 1.916
Base-Backbone interact. energy: 0.132
local terms energy: -30.751891
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -5.677
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: 6.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 344
Temperature: 2.433333
Total energy: -32.010988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.010988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.010988 (E_RNA)
where:
Base-Base interactions energy: -7.800
where: short stacking energy: -7.800
Base-Backbone interact. energy: -0.431
local terms energy: -23.779460
where:
bonds (distance) C4'-P energy: 1.182
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -6.132
flat angles P-C4'-P energy: -6.690
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: 7, replica: 2
=====================================
Write number: 344
Temperature: 2.450000
Total energy: -40.827715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.827715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.827715 (E_RNA)
where:
Base-Base interactions energy: -9.403
where: short stacking energy: -7.169
Base-Backbone interact. energy: -0.226
local terms energy: -31.198094
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -5.189
flat angles P-C4'-P energy: -0.769
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: 8, replica: 3
=====================================
Write number: 344
Temperature: 2.466667
Total energy: -40.121231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.121231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.121231 (E_RNA)
where:
Base-Base interactions energy: -3.112
where: short stacking energy: -3.112
Base-Backbone interact. energy: -0.106
local terms energy: -36.903514
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -7.345
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: 8.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 344
Temperature: 2.483333
Total energy: -33.860568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.860568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.860568 (E_RNA)
where:
Base-Base interactions energy: -6.742
where: short stacking energy: -3.533
Base-Backbone interact. energy: 0.095
local terms energy: -27.213140
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -5.974
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: 4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 344
Temperature: 2.500000
Total energy: -36.589201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.589201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.589201 (E_RNA)
where:
Base-Base interactions energy: -11.294
where: short stacking energy: -9.684
Base-Backbone interact. energy: -0.313
local terms energy: -24.981803
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -5.453
flat angles C4'-P-C4' energy: 0.515
flat angles P-C4'-P energy: -7.624
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: 1, replica: 7
=====================================
Write number: 345
Temperature: 2.350000
Total energy: -44.980355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.980355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.980355 (E_RNA)
where:
Base-Base interactions energy: -6.235
where: short stacking energy: -3.306
Base-Backbone interact. energy: -0.478
local terms energy: -38.267121
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -3.204
tors. eta vs tors. theta energy: 8.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 345
Temperature: 2.366667
Total energy: -41.384926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.384926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.384926 (E_RNA)
where:
Base-Base interactions energy: -3.166
where: short stacking energy: -4.364
Base-Backbone interact. energy: -0.160
local terms energy: -38.059177
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -9.152
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: 3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 345
Temperature: 2.383333
Total energy: -34.279904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.279904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.279904 (E_RNA)
where:
Base-Base interactions energy: -3.117
where: short stacking energy: -3.117
Base-Backbone interact. energy: 0.558
local terms energy: -31.721136
where:
bonds (distance) C4'-P energy: -4.932
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -1.941
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: 4, replica: 5
=====================================
Write number: 345
Temperature: 2.400000
Total energy: -35.090444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.090444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.090444 (E_RNA)
where:
Base-Base interactions energy: -8.179
where: short stacking energy: -6.286
Base-Backbone interact. energy: -0.673
local terms energy: -26.238947
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -9.791
flat angles C4'-P-C4' energy: -8.058
flat angles P-C4'-P energy: -3.716
tors. eta vs tors. theta energy: 8.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 345
Temperature: 2.416667
Total energy: -37.919826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.919826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.919826 (E_RNA)
where:
Base-Base interactions energy: -11.916
where: short stacking energy: -9.720
Base-Backbone interact. energy: -0.342
local terms energy: -25.661613
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -1.584
flat angles P-C4'-P energy: -1.871
tors. eta vs tors. theta energy: 5.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 345
Temperature: 2.433333
Total energy: -38.951974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.951974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.951974 (E_RNA)
where:
Base-Base interactions energy: -6.725
where: short stacking energy: -6.267
Base-Backbone interact. energy: 3.586
local terms energy: -35.812348
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -4.670
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: 3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 345
Temperature: 2.450000
Total energy: -32.036506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.036506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.036506 (E_RNA)
where:
Base-Base interactions energy: -3.313
where: short stacking energy: -0.889
Base-Backbone interact. energy: -0.324
local terms energy: -28.399737
where:
bonds (distance) C4'-P energy: -9.525
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -7.302
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: 7.597
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: 4
=====================================
Write number: 345
Temperature: 2.466667
Total energy: -38.713348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.713348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.713348 (E_RNA)
where:
Base-Base interactions energy: -11.999
where: short stacking energy: -11.999
Base-Backbone interact. energy: -0.237
local terms energy: -26.476601
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -2.114
flat angles P-C4'-P energy: 2.540
tors. eta vs tors. theta energy: 4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 345
Temperature: 2.483333
Total energy: -34.919785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.919785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.919785 (E_RNA)
where:
Base-Base interactions energy: -9.399
where: short stacking energy: -6.221
Base-Backbone interact. energy: -0.985
local terms energy: -24.535814
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -6.733
flat angles C4'-P-C4' energy: -9.590
flat angles P-C4'-P energy: -1.422
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: 10, replica: 8
=====================================
Write number: 345
Temperature: 2.500000
Total energy: -37.603056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.603056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.603056 (E_RNA)
where:
Base-Base interactions energy: -4.145
where: short stacking energy: -4.145
Base-Backbone interact. energy: 0.425
local terms energy: -33.883199
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -2.049
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: 2.785
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: 6
=====================================
Write number: 346
Temperature: 2.350000
Total energy: -39.197803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.197803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.197803 (E_RNA)
where:
Base-Base interactions energy: -10.577
where: short stacking energy: -10.179
Base-Backbone interact. energy: -1.218
local terms energy: -27.403285
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -2.179
tors. eta vs tors. theta energy: 11.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 346
Temperature: 2.366667
Total energy: -32.647625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.647625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.647625 (E_RNA)
where:
Base-Base interactions energy: -9.109
where: short stacking energy: -7.996
Base-Backbone interact. energy: -0.341
local terms energy: -23.198256
where:
bonds (distance) C4'-P energy: -6.567
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: 9.416
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: 346
Temperature: 2.383333
Total energy: -45.559553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.559553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.559553 (E_RNA)
where:
Base-Base interactions energy: -10.209
where: short stacking energy: -9.395
Base-Backbone interact. energy: -0.759
local terms energy: -34.591102
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -6.188
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: 9.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 346
Temperature: 2.400000
Total energy: -38.387145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.387145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.387145 (E_RNA)
where:
Base-Base interactions energy: -2.909
where: short stacking energy: -2.798
Base-Backbone interact. energy: -0.176
local terms energy: -35.302240
where:
bonds (distance) C4'-P energy: -8.270
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -6.248
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: 5, replica: 2
=====================================
Write number: 346
Temperature: 2.416667
Total energy: -35.007339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.007339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.007339 (E_RNA)
where:
Base-Base interactions energy: -2.379
where: short stacking energy: -0.784
Base-Backbone interact. energy: -0.152
local terms energy: -32.476422
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -1.684
tors. eta vs tors. theta energy: 7.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 346
Temperature: 2.433333
Total energy: -44.893772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.893772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.893772 (E_RNA)
where:
Base-Base interactions energy: -10.045
where: short stacking energy: -7.271
Base-Backbone interact. energy: -0.231
local terms energy: -34.617829
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -2.921
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: 4.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 346
Temperature: 2.450000
Total energy: -35.589452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.589452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.589452 (E_RNA)
where:
Base-Base interactions energy: -8.125
where: short stacking energy: -7.693
Base-Backbone interact. energy: 0.519
local terms energy: -27.984145
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -1.897
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: 5.962
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: 1
=====================================
Write number: 346
Temperature: 2.466667
Total energy: -35.639737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.639737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.639737 (E_RNA)
where:
Base-Base interactions energy: -5.663
where: short stacking energy: -6.463
Base-Backbone interact. energy: -0.815
local terms energy: -29.162164
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -4.070
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: 6.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 2.483333
Total energy: -42.173342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.173342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.173342 (E_RNA)
where:
Base-Base interactions energy: -9.102
where: short stacking energy: -9.102
Base-Backbone interact. energy: -0.103
local terms energy: -32.968898
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -3.634
flat angles C4'-P-C4' energy: -5.587
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: 0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 346
Temperature: 2.500000
Total energy: -37.850537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.850537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.850537 (E_RNA)
where:
Base-Base interactions energy: -7.864
where: short stacking energy: -8.464
Base-Backbone interact. energy: -0.753
local terms energy: -29.233530
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -10.711
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -2.673
tors. eta vs tors. theta energy: 6.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 347
Temperature: 2.350000
Total energy: -37.267170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.267170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.267170 (E_RNA)
where:
Base-Base interactions energy: -5.272
where: short stacking energy: -5.272
Base-Backbone interact. energy: -0.170
local terms energy: -31.825315
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -3.380
tors. eta vs tors. theta energy: 9.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 347
Temperature: 2.366667
Total energy: -34.821523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.821523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.821523 (E_RNA)
where:
Base-Base interactions energy: -6.452
where: short stacking energy: -7.453
Base-Backbone interact. energy: -0.855
local terms energy: -27.515241
where:
bonds (distance) C4'-P energy: -7.945
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -5.986
flat angles P-C4'-P energy: -4.971
tors. eta vs tors. theta energy: 6.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 347
Temperature: 2.383333
Total energy: -40.344739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.344739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.344739 (E_RNA)
where:
Base-Base interactions energy: -4.477
where: short stacking energy: -4.477
Base-Backbone interact. energy: -0.436
local terms energy: -35.431980
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -5.070
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: 11.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 347
Temperature: 2.400000
Total energy: -41.947673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.947673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.947673 (E_RNA)
where:
Base-Base interactions energy: -7.835
where: short stacking energy: -7.835
Base-Backbone interact. energy: -0.295
local terms energy: -33.817040
where:
bonds (distance) C4'-P energy: -9.455
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -2.386
tors. eta vs tors. theta energy: 8.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 347
Temperature: 2.416667
Total energy: -35.400061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.400061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.400061 (E_RNA)
where:
Base-Base interactions energy: -6.234
where: short stacking energy: -6.234
Base-Backbone interact. energy: -0.588
local terms energy: -28.577814
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -4.987
flat angles P-C4'-P energy: -4.116
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: 6, replica: 4
=====================================
Write number: 347
Temperature: 2.433333
Total energy: -43.779139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.779139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.779139 (E_RNA)
where:
Base-Base interactions energy: -14.275
where: short stacking energy: -14.275
Base-Backbone interact. energy: -0.271
local terms energy: -29.233395
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -6.886
flat angles P-C4'-P energy: -1.950
tors. eta vs tors. theta energy: 4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 2.450000
Total energy: -32.568863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.568863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.568863 (E_RNA)
where:
Base-Base interactions energy: -10.007
where: short stacking energy: -6.474
Base-Backbone interact. energy: -0.834
local terms energy: -21.727645
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -6.632
flat angles P-C4'-P energy: -2.246
tors. eta vs tors. theta energy: 11.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 2.466667
Total energy: -30.593271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.593271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.593271 (E_RNA)
where:
Base-Base interactions energy: -4.895
where: short stacking energy: -1.302
Base-Backbone interact. energy: -0.401
local terms energy: -25.297237
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: 1.667
tors. eta vs tors. theta energy: 9.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 347
Temperature: 2.483333
Total energy: -35.374452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.374452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.374452 (E_RNA)
where:
Base-Base interactions energy: -8.438
where: short stacking energy: -7.085
Base-Backbone interact. energy: -0.241
local terms energy: -26.695402
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -10.248
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: 10.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 347
Temperature: 2.500000
Total energy: -36.476921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.476921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.476921 (E_RNA)
where:
Base-Base interactions energy: -7.198
where: short stacking energy: -5.587
Base-Backbone interact. energy: -1.014
local terms energy: -28.265377
where:
bonds (distance) C4'-P energy: -8.667
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -7.559
flat angles P-C4'-P energy: -0.730
tors. eta vs tors. theta energy: 5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 348
Temperature: 2.350000
Total energy: -43.507653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.507653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.507653 (E_RNA)
where:
Base-Base interactions energy: -6.892
where: short stacking energy: -4.258
Base-Backbone interact. energy: 0.719
local terms energy: -37.334517
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -8.552
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: 2, replica: 6
=====================================
Write number: 348
Temperature: 2.366667
Total energy: -38.607388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.607388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.607388 (E_RNA)
where:
Base-Base interactions energy: -8.476
where: short stacking energy: -8.057
Base-Backbone interact. energy: -0.531
local terms energy: -29.599923
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: 8.269
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: 2
=====================================
Write number: 348
Temperature: 2.383333
Total energy: -35.268609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.268609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.268609 (E_RNA)
where:
Base-Base interactions energy: -8.521
where: short stacking energy: -7.770
Base-Backbone interact. energy: 0.256
local terms energy: -27.003810
where:
bonds (distance) C4'-P energy: -6.277
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -1.682
tors. eta vs tors. theta energy: 6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 348
Temperature: 2.400000
Total energy: -40.468211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.468211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.468211 (E_RNA)
where:
Base-Base interactions energy: -13.099
where: short stacking energy: -13.099
Base-Backbone interact. energy: -0.390
local terms energy: -26.979048
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -2.563
flat angles P-C4'-P energy: 1.859
tors. eta vs tors. theta energy: -0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 2.416667
Total energy: -33.991599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.991599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.991599 (E_RNA)
where:
Base-Base interactions energy: -7.163
where: short stacking energy: -8.154
Base-Backbone interact. energy: 1.075
local terms energy: -27.902993
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -9.167
flat angles C4'-P-C4' energy: -8.887
flat angles P-C4'-P energy: -2.850
tors. eta vs tors. theta energy: 8.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 348
Temperature: 2.433333
Total energy: -34.624681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.624681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.624681 (E_RNA)
where:
Base-Base interactions energy: -10.922
where: short stacking energy: -10.270
Base-Backbone interact. energy: -0.905
local terms energy: -22.798439
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -5.469
flat angles C4'-P-C4' energy: -9.358
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: 9.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 348
Temperature: 2.450000
Total energy: -35.636834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.636834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.636834 (E_RNA)
where:
Base-Base interactions energy: -4.680
where: short stacking energy: -3.788
Base-Backbone interact. energy: 1.032
local terms energy: -31.988806
where:
bonds (distance) C4'-P energy: -7.119
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -4.595
tors. eta vs tors. theta energy: 7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 348
Temperature: 2.466667
Total energy: -38.908687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.908687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.908687 (E_RNA)
where:
Base-Base interactions energy: -7.491
where: short stacking energy: -6.061
Base-Backbone interact. energy: -0.603
local terms energy: -30.814747
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -4.595
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: 7.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 348
Temperature: 2.483333
Total energy: -34.978678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.978678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.978678 (E_RNA)
where:
Base-Base interactions energy: -4.952
where: short stacking energy: -4.952
Base-Backbone interact. energy: -0.183
local terms energy: -29.843208
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -6.701
flat angles P-C4'-P energy: -3.740
tors. eta vs tors. theta energy: 8.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 348
Temperature: 2.500000
Total energy: -41.148153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.148153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.148153 (E_RNA)
where:
Base-Base interactions energy: -8.296
where: short stacking energy: -8.034
Base-Backbone interact. energy: -0.015
local terms energy: -32.837517
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -6.418
flat angles P-C4'-P energy: -5.933
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: 1, replica: 5
=====================================
Write number: 349
Temperature: 2.350000
Total energy: -37.717962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.717962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.717962 (E_RNA)
where:
Base-Base interactions energy: -5.944
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.853
local terms energy: -30.921155
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: 7.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 2.366667
Total energy: -39.843861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.843861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.843861 (E_RNA)
where:
Base-Base interactions energy: -17.889
where: short stacking energy: -16.877
Base-Backbone interact. energy: -0.165
local terms energy: -21.789814
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -4.481
flat angles P-C4'-P energy: 1.175
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: 3, replica: 6
=====================================
Write number: 349
Temperature: 2.383333
Total energy: -36.715167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.715167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.715167 (E_RNA)
where:
Base-Base interactions energy: -9.403
where: short stacking energy: -5.476
Base-Backbone interact. energy: -0.213
local terms energy: -27.099247
where:
bonds (distance) C4'-P energy: -6.240
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -0.779
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: 6.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 2.400000
Total energy: -37.985687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.985687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.985687 (E_RNA)
where:
Base-Base interactions energy: -14.907
where: short stacking energy: -12.027
Base-Backbone interact. energy: 1.262
local terms energy: -24.340295
where:
bonds (distance) C4'-P energy: -6.962
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -6.433
flat angles P-C4'-P energy: 0.758
tors. eta vs tors. theta energy: 2.038
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: 5, replica: 7
=====================================
Write number: 349
Temperature: 2.416667
Total energy: -39.785047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.785047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.785047 (E_RNA)
where:
Base-Base interactions energy: -5.537
where: short stacking energy: -5.459
Base-Backbone interact. energy: -0.493
local terms energy: -33.755195
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -6.906
flat angles P-C4'-P energy: -4.827
tors. eta vs tors. theta energy: 7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 2.433333
Total energy: -36.277487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.277487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.277487 (E_RNA)
where:
Base-Base interactions energy: -10.616
where: short stacking energy: -10.395
Base-Backbone interact. energy: -0.596
local terms energy: -25.065111
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -3.722
flat angles C4'-P-C4' energy: -8.947
flat angles P-C4'-P energy: -8.218
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: 7, replica: 10
=====================================
Write number: 349
Temperature: 2.450000
Total energy: -37.628995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.628995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.628995 (E_RNA)
where:
Base-Base interactions energy: -8.465
where: short stacking energy: -7.333
Base-Backbone interact. energy: -0.235
local terms energy: -28.929197
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -9.141
flat angles C4'-P-C4' energy: 0.553
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: 3.600
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: 3
=====================================
Write number: 349
Temperature: 2.466667
Total energy: -44.762424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.762424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.762424 (E_RNA)
where:
Base-Base interactions energy: -6.597
where: short stacking energy: -4.203
Base-Backbone interact. energy: -0.429
local terms energy: -37.736626
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -5.722
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: 9, replica: 9
=====================================
Write number: 349
Temperature: 2.483333
Total energy: -36.843010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.843010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.843010 (E_RNA)
where:
Base-Base interactions energy: -7.524
where: short stacking energy: -7.524
Base-Backbone interact. energy: -0.072
local terms energy: -29.246954
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -10.461
flat angles P-C4'-P energy: 5.080
tors. eta vs tors. theta energy: 6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 349
Temperature: 2.500000
Total energy: -39.035391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.035391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.035391 (E_RNA)
where:
Base-Base interactions energy: -12.208
where: short stacking energy: -12.408
Base-Backbone interact. energy: -0.293
local terms energy: -26.534711
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -7.947
flat angles C4'-P-C4' energy: -9.474
flat angles P-C4'-P energy: -1.933
tors. eta vs tors. theta energy: 6.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 2.350000
Total energy: -37.598245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.598245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.598245 (E_RNA)
where:
Base-Base interactions energy: -5.175
where: short stacking energy: -5.175
Base-Backbone interact. energy: -0.260
local terms energy: -32.163210
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -9.874
flat angles C4'-P-C4' energy: -8.523
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: 10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 350
Temperature: 2.366667
Total energy: -35.066548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.066548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.066548 (E_RNA)
where:
Base-Base interactions energy: -9.148
where: short stacking energy: -8.629
Base-Backbone interact. energy: 3.380
local terms energy: -29.298185
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -4.953
flat angles P-C4'-P energy: -3.256
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: 4
=====================================
Write number: 350
Temperature: 2.383333
Total energy: -40.121734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.121734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.121734 (E_RNA)
where:
Base-Base interactions energy: -5.840
where: short stacking energy: -5.840
Base-Backbone interact. energy: 0.604
local terms energy: -34.885267
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: 5.451
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: 4, replica: 6
=====================================
Write number: 350
Temperature: 2.400000
Total energy: -35.662323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.662323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.662323 (E_RNA)
where:
Base-Base interactions energy: -8.869
where: short stacking energy: -4.953
Base-Backbone interact. energy: 0.218
local terms energy: -27.011384
where:
bonds (distance) C4'-P energy: -5.638
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -5.463
flat angles P-C4'-P energy: -4.041
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: 5, replica: 8
=====================================
Write number: 350
Temperature: 2.416667
Total energy: -40.528142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.528142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.528142 (E_RNA)
where:
Base-Base interactions energy: -6.235
where: short stacking energy: -5.816
Base-Backbone interact. energy: -0.746
local terms energy: -33.547398
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -10.253
flat angles P-C4'-P energy: -8.774
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: 6, replica: 7
=====================================
Write number: 350
Temperature: 2.433333
Total energy: -38.956138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.956138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.956138 (E_RNA)
where:
Base-Base interactions energy: -3.370
where: short stacking energy: -3.370
Base-Backbone interact. energy: -0.650
local terms energy: -34.936474
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -7.585
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: 8.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 350
Temperature: 2.450000
Total energy: -50.518378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.518378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.518378 (E_RNA)
where:
Base-Base interactions energy: -8.616
where: short stacking energy: -8.591
Base-Backbone interact. energy: -0.112
local terms energy: -41.789745
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: 5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 350
Temperature: 2.466667
Total energy: -36.309283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.309283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.309283 (E_RNA)
where:
Base-Base interactions energy: -11.828
where: short stacking energy: -11.828
Base-Backbone interact. energy: -0.385
local terms energy: -24.096305
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -6.890
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: 3.152
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: 9, replica: 1
=====================================
Write number: 350
Temperature: 2.483333
Total energy: -38.474479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.474479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.474479 (E_RNA)
where:
Base-Base interactions energy: -8.262
where: short stacking energy: -7.490
Base-Backbone interact. energy: -0.344
local terms energy: -29.868288
where:
bonds (distance) C4'-P energy: -7.940
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -7.510
flat angles P-C4'-P energy: -1.925
tors. eta vs tors. theta energy: 0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 350
Temperature: 2.500000
Total energy: -32.668969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.668969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.668969 (E_RNA)
where:
Base-Base interactions energy: -13.237
where: short stacking energy: -10.731
Base-Backbone interact. energy: -0.047
local terms energy: -19.384354
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -3.372
flat angles C4'-P-C4' energy: -8.910
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: 8.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 351
Temperature: 2.350000
Total energy: -36.949495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.949495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.949495 (E_RNA)
where:
Base-Base interactions energy: -4.135
where: short stacking energy: -7.635
Base-Backbone interact. energy: -0.298
local terms energy: -32.516311
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -8.635
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: 9.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 351
Temperature: 2.366667
Total energy: -39.061029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.061029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.061029 (E_RNA)
where:
Base-Base interactions energy: -13.291
where: short stacking energy: -10.345
Base-Backbone interact. energy: 0.102
local terms energy: -25.872574
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -5.687
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: 9.513
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: 351
Temperature: 2.383333
Total energy: -37.760692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.760692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.760692 (E_RNA)
where:
Base-Base interactions energy: -5.000
where: short stacking energy: -2.246
Base-Backbone interact. energy: -0.189
local terms energy: -32.571496
where:
bonds (distance) C4'-P energy: -8.525
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -8.860
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: 6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 351
Temperature: 2.400000
Total energy: -36.972119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.972119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.972119 (E_RNA)
where:
Base-Base interactions energy: -7.779
where: short stacking energy: -5.889
Base-Backbone interact. energy: 1.982
local terms energy: -31.175204
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -9.219
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: 10.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 351
Temperature: 2.416667
Total energy: -36.167195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.167195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.167195 (E_RNA)
where:
Base-Base interactions energy: -6.676
where: short stacking energy: -6.617
Base-Backbone interact. energy: -0.391
local terms energy: -29.099596
where:
bonds (distance) C4'-P energy: -7.014
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -2.428
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: 6, replica: 3
=====================================
Write number: 351
Temperature: 2.433333
Total energy: -39.306681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.306681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.306681 (E_RNA)
where:
Base-Base interactions energy: -10.427
where: short stacking energy: -10.310
Base-Backbone interact. energy: -0.252
local terms energy: -28.627433
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -5.879
flat angles P-C4'-P energy: -10.178
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: 7, replica: 7
=====================================
Write number: 351
Temperature: 2.450000
Total energy: -43.346590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.346590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.346590 (E_RNA)
where:
Base-Base interactions energy: -4.078
where: short stacking energy: -4.078
Base-Backbone interact. energy: 1.126
local terms energy: -40.395235
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: 0.858
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: 8, replica: 1
=====================================
Write number: 351
Temperature: 2.466667
Total energy: -36.871900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.871900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.871900 (E_RNA)
where:
Base-Base interactions energy: -13.619
where: short stacking energy: -13.619
Base-Backbone interact. energy: -0.162
local terms energy: -23.090652
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -9.762
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -0.613
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: 9, replica: 10
=====================================
Write number: 351
Temperature: 2.483333
Total energy: -35.808967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.808967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.808967 (E_RNA)
where:
Base-Base interactions energy: -5.090
where: short stacking energy: -4.780
Base-Backbone interact. energy: 1.655
local terms energy: -32.374291
where:
bonds (distance) C4'-P energy: -8.134
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -6.619
flat angles P-C4'-P energy: -7.980
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: 10, replica: 9
=====================================
Write number: 351
Temperature: 2.500000
Total energy: -34.579247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.579247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.579247 (E_RNA)
where:
Base-Base interactions energy: -7.986
where: short stacking energy: -6.955
Base-Backbone interact. energy: -0.450
local terms energy: -26.142845
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -3.428
tors. eta vs tors. theta energy: 10.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 352
Temperature: 2.350000
Total energy: -39.743466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.743466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.743466 (E_RNA)
where:
Base-Base interactions energy: -9.164
where: short stacking energy: -8.109
Base-Backbone interact. energy: -0.442
local terms energy: -30.137501
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -4.718
tors. eta vs tors. theta energy: 9.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 2.366667
Total energy: -39.580450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.580450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.580450 (E_RNA)
where:
Base-Base interactions energy: -5.996
where: short stacking energy: -5.996
Base-Backbone interact. energy: 0.518
local terms energy: -34.102586
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -1.058
tors. eta vs tors. theta energy: 11.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 2.383333
Total energy: -39.879897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.879897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.879897 (E_RNA)
where:
Base-Base interactions energy: -5.300
where: short stacking energy: 0.254
Base-Backbone interact. energy: -0.906
local terms energy: -33.673962
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -10.206
flat angles C4'-P-C4' energy: -7.421
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: 8.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 352
Temperature: 2.400000
Total energy: -34.582366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.582366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.582366 (E_RNA)
where:
Base-Base interactions energy: -0.526
where: short stacking energy: -0.433
Base-Backbone interact. energy: 2.095
local terms energy: -36.151838
where:
bonds (distance) C4'-P energy: -7.148
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: 9.453
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: 5, replica: 3
=====================================
Write number: 352
Temperature: 2.416667
Total energy: -41.754094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.754094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.754094 (E_RNA)
where:
Base-Base interactions energy: -8.540
where: short stacking energy: -7.867
Base-Backbone interact. energy: 1.154
local terms energy: -34.368016
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -5.006
flat angles P-C4'-P energy: -4.075
tors. eta vs tors. theta energy: 4.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 352
Temperature: 2.433333
Total energy: -34.532217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.532217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.532217 (E_RNA)
where:
Base-Base interactions energy: -15.368
where: short stacking energy: -14.822
Base-Backbone interact. energy: 0.521
local terms energy: -19.685630
where:
bonds (distance) C4'-P energy: -8.922
bonds (distance) P-C4' energy: -5.839
flat angles C4'-P-C4' energy: -7.625
flat angles P-C4'-P energy: -1.800
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: 7, replica: 1
=====================================
Write number: 352
Temperature: 2.450000
Total energy: -38.700796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.700796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.700796 (E_RNA)
where:
Base-Base interactions energy: -14.359
where: short stacking energy: -10.657
Base-Backbone interact. energy: -0.752
local terms energy: -23.589831
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -5.524
flat angles C4'-P-C4' energy: -7.485
flat angles P-C4'-P energy: -3.028
tors. eta vs tors. theta energy: 2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 352
Temperature: 2.466667
Total energy: -35.681184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.681184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.681184 (E_RNA)
where:
Base-Base interactions energy: -9.089
where: short stacking energy: -7.532
Base-Backbone interact. energy: 0.261
local terms energy: -26.853953
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: 0.458
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: 6.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 352
Temperature: 2.483333
Total energy: -37.900945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.900945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.900945 (E_RNA)
where:
Base-Base interactions energy: -8.561
where: short stacking energy: -8.561
Base-Backbone interact. energy: 1.592
local terms energy: -30.931193
where:
bonds (distance) C4'-P energy: -6.349
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -7.565
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: 5.548
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: 10
=====================================
Write number: 352
Temperature: 2.500000
Total energy: -34.045217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.045217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.045217 (E_RNA)
where:
Base-Base interactions energy: -3.311
where: short stacking energy: 0.543
Base-Backbone interact. energy: -0.601
local terms energy: -30.133405
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -5.068
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -2.066
tors. eta vs tors. theta energy: 5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 353
Temperature: 2.350000
Total energy: -36.139224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.139224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.139224 (E_RNA)
where:
Base-Base interactions energy: -10.697
where: short stacking energy: -7.968
Base-Backbone interact. energy: -0.548
local terms energy: -24.893449
where:
bonds (distance) C4'-P energy: -2.457
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: 9.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 2.366667
Total energy: -35.353426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.353426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.353426 (E_RNA)
where:
Base-Base interactions energy: -8.318
where: short stacking energy: -8.318
Base-Backbone interact. energy: -0.089
local terms energy: -26.946185
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -7.787
flat angles C4'-P-C4' energy: -4.027
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: 6.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 2.383333
Total energy: -35.669063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.669063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.669063 (E_RNA)
where:
Base-Base interactions energy: -3.173
where: short stacking energy: -3.748
Base-Backbone interact. energy: -0.487
local terms energy: -32.009092
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -9.881
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: 8.784
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: 3
=====================================
Write number: 353
Temperature: 2.400000
Total energy: -46.454303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.454303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.454303 (E_RNA)
where:
Base-Base interactions energy: -6.293
where: short stacking energy: -5.941
Base-Backbone interact. energy: -0.480
local terms energy: -39.680656
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -5.014
tors. eta vs tors. theta energy: 6.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 2.416667
Total energy: -37.742529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.742529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.742529 (E_RNA)
where:
Base-Base interactions energy: -5.971
where: short stacking energy: -5.713
Base-Backbone interact. energy: -0.805
local terms energy: -30.965864
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -1.512
tors. eta vs tors. theta energy: 6.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 353
Temperature: 2.433333
Total energy: -32.647415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.647415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.647415 (E_RNA)
where:
Base-Base interactions energy: -4.940
where: short stacking energy: -7.137
Base-Backbone interact. energy: 2.160
local terms energy: -29.867940
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: 9.199
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: 7, replica: 6
=====================================
Write number: 353
Temperature: 2.450000
Total energy: -39.180747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.180747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.180747 (E_RNA)
where:
Base-Base interactions energy: -11.028
where: short stacking energy: -10.813
Base-Backbone interact. energy: -0.014
local terms energy: -28.138565
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -5.496
flat angles C4'-P-C4' energy: -4.650
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: 4.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 353
Temperature: 2.466667
Total energy: -35.046091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.046091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.046091 (E_RNA)
where:
Base-Base interactions energy: -4.172
where: short stacking energy: -3.763
Base-Backbone interact. energy: 0.335
local terms energy: -31.208566
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -6.544
flat angles C4'-P-C4' energy: -8.039
flat angles P-C4'-P energy: -6.524
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: 9, replica: 7
=====================================
Write number: 353
Temperature: 2.483333
Total energy: -39.153390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.153390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.153390 (E_RNA)
where:
Base-Base interactions energy: -5.168
where: short stacking energy: -5.368
Base-Backbone interact. energy: -1.067
local terms energy: -32.918404
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -3.397
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: 5.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 2.500000
Total energy: -33.549844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.549844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.549844 (E_RNA)
where:
Base-Base interactions energy: -5.239
where: short stacking energy: -5.739
Base-Backbone interact. energy: -0.137
local terms energy: -28.174066
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -5.623
flat angles P-C4'-P energy: -4.157
tors. eta vs tors. theta energy: 6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 354
Temperature: 2.350000
Total energy: -36.855152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.855152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.855152 (E_RNA)
where:
Base-Base interactions energy: -10.816
where: short stacking energy: -9.854
Base-Backbone interact. energy: -0.289
local terms energy: -25.749900
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -7.768
flat angles C4'-P-C4' energy: -6.733
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: 7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 354
Temperature: 2.366667
Total energy: -40.751789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.751789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.751789 (E_RNA)
where:
Base-Base interactions energy: -10.664
where: short stacking energy: -9.011
Base-Backbone interact. energy: 0.020
local terms energy: -30.108376
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -5.501
flat angles C4'-P-C4' energy: -6.829
flat angles P-C4'-P energy: -4.669
tors. eta vs tors. theta energy: 4.708
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: 3
=====================================
Write number: 354
Temperature: 2.383333
Total energy: -41.388349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.388349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.388349 (E_RNA)
where:
Base-Base interactions energy: -13.431
where: short stacking energy: -13.541
Base-Backbone interact. energy: -0.117
local terms energy: -27.839622
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: 1.755
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: 5.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 354
Temperature: 2.400000
Total energy: -34.709189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.709189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.709189 (E_RNA)
where:
Base-Base interactions energy: -3.432
where: short stacking energy: -2.946
Base-Backbone interact. energy: 1.416
local terms energy: -32.692860
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -4.080
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: 2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 354
Temperature: 2.416667
Total energy: -37.006391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.006391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.006391 (E_RNA)
where:
Base-Base interactions energy: -5.152
where: short stacking energy: -2.833
Base-Backbone interact. energy: -0.272
local terms energy: -31.582264
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -7.918
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: 7.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 354
Temperature: 2.433333
Total energy: -36.603996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.603996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.603996 (E_RNA)
where:
Base-Base interactions energy: -6.771
where: short stacking energy: -6.094
Base-Backbone interact. energy: -0.174
local terms energy: -29.658753
where:
bonds (distance) C4'-P energy: -7.682
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: 9.305
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: 9
=====================================
Write number: 354
Temperature: 2.450000
Total energy: -40.034784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.034784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.034784 (E_RNA)
where:
Base-Base interactions energy: -4.386
where: short stacking energy: -3.575
Base-Backbone interact. energy: -0.836
local terms energy: -34.813266
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -9.597
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: 11.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 354
Temperature: 2.466667
Total energy: -39.396792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.396792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.396792 (E_RNA)
where:
Base-Base interactions energy: -3.964
where: short stacking energy: -3.964
Base-Backbone interact. energy: 0.545
local terms energy: -35.977835
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -8.064
flat angles P-C4'-P energy: -4.944
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: 9, replica: 10
=====================================
Write number: 354
Temperature: 2.483333
Total energy: -35.089665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.089665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.089665 (E_RNA)
where:
Base-Base interactions energy: -6.336
where: short stacking energy: -5.318
Base-Backbone interact. energy: 4.785
local terms energy: -33.538271
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: 12.203
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: 354
Temperature: 2.500000
Total energy: -37.714980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.714980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.714980 (E_RNA)
where:
Base-Base interactions energy: -7.369
where: short stacking energy: -7.127
Base-Backbone interact. energy: -0.034
local terms energy: -30.311766
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -7.179
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: 10.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 355
Temperature: 2.350000
Total energy: -44.571947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.571947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.571947 (E_RNA)
where:
Base-Base interactions energy: -8.055
where: short stacking energy: -7.475
Base-Backbone interact. energy: 0.516
local terms energy: -37.032997
where:
bonds (distance) C4'-P energy: -7.922
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -7.916
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: 2, replica: 3
=====================================
Write number: 355
Temperature: 2.366667
Total energy: -44.245285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.245285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.245285 (E_RNA)
where:
Base-Base interactions energy: -17.060
where: short stacking energy: -9.147
Base-Backbone interact. energy: -0.277
local terms energy: -26.908755
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: 0.246
flat angles P-C4'-P energy: -4.016
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: 3, replica: 4
=====================================
Write number: 355
Temperature: 2.383333
Total energy: -44.666587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.666587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.666587 (E_RNA)
where:
Base-Base interactions energy: -8.496
where: short stacking energy: -3.761
Base-Backbone interact. energy: -0.485
local terms energy: -35.685547
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -4.860
flat angles P-C4'-P energy: -10.064
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: 4, replica: 1
=====================================
Write number: 355
Temperature: 2.400000
Total energy: -40.552353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.552353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.552353 (E_RNA)
where:
Base-Base interactions energy: -3.771
where: short stacking energy: -0.506
Base-Backbone interact. energy: -0.433
local terms energy: -36.348882
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -1.492
tors. eta vs tors. theta energy: 6.737
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: 355
Temperature: 2.416667
Total energy: -33.223989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.223989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.223989 (E_RNA)
where:
Base-Base interactions energy: -7.298
where: short stacking energy: -7.016
Base-Backbone interact. energy: -0.137
local terms energy: -25.788751
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -8.756
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: 0.188
tors. eta vs tors. theta energy: 6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 355
Temperature: 2.433333
Total energy: -37.254624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.254624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.254624 (E_RNA)
where:
Base-Base interactions energy: -10.838
where: short stacking energy: -9.476
Base-Backbone interact. energy: -0.199
local terms energy: -26.217119
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -5.276
flat angles C4'-P-C4' energy: -8.084
flat angles P-C4'-P energy: -2.764
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: 7, replica: 5
=====================================
Write number: 355
Temperature: 2.450000
Total energy: -37.218502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.218502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.218502 (E_RNA)
where:
Base-Base interactions energy: -12.204
where: short stacking energy: -11.460
Base-Backbone interact. energy: -0.299
local terms energy: -24.715385
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -8.318
flat angles P-C4'-P energy: -1.801
tors. eta vs tors. theta energy: 7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 2.466667
Total energy: -35.458595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.458595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.458595 (E_RNA)
where:
Base-Base interactions energy: -10.637
where: short stacking energy: -7.042
Base-Backbone interact. energy: 0.239
local terms energy: -25.060544
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -7.149
flat angles C4'-P-C4' energy: -3.846
flat angles P-C4'-P energy: -7.250
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: 9, replica: 6
=====================================
Write number: 355
Temperature: 2.483333
Total energy: -45.214489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.214489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.214489 (E_RNA)
where:
Base-Base interactions energy: -6.648
where: short stacking energy: -6.648
Base-Backbone interact. energy: -0.110
local terms energy: -38.455995
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -10.357
flat angles P-C4'-P energy: -3.113
tors. eta vs tors. theta energy: 5.997
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: 7
=====================================
Write number: 355
Temperature: 2.500000
Total energy: -35.559318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.559318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.559318 (E_RNA)
where:
Base-Base interactions energy: -7.459
where: short stacking energy: -7.459
Base-Backbone interact. energy: -0.187
local terms energy: -27.913014
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -7.187
flat angles P-C4'-P energy: -3.210
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: 1, replica: 3
=====================================
Write number: 356
Temperature: 2.350000
Total energy: -35.927279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.927279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.927279 (E_RNA)
where:
Base-Base interactions energy: -3.615
where: short stacking energy: -0.346
Base-Backbone interact. energy: -0.328
local terms energy: -31.983848
where:
bonds (distance) C4'-P energy: -9.808
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -4.762
tors. eta vs tors. theta energy: 7.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 356
Temperature: 2.366667
Total energy: -44.120676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.120676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.120676 (E_RNA)
where:
Base-Base interactions energy: -18.200
where: short stacking energy: -18.021
Base-Backbone interact. energy: -0.211
local terms energy: -25.710010
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -9.199
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: 0.033
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: 3, replica: 1
=====================================
Write number: 356
Temperature: 2.383333
Total energy: -37.966676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.966676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.966676 (E_RNA)
where:
Base-Base interactions energy: -12.282
where: short stacking energy: -10.931
Base-Backbone interact. energy: 2.043
local terms energy: -27.727089
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -5.274
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -7.427
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: 4, replica: 4
=====================================
Write number: 356
Temperature: 2.400000
Total energy: -38.294230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.294230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.294230 (E_RNA)
where:
Base-Base interactions energy: -4.436
where: short stacking energy: -3.207
Base-Backbone interact. energy: -0.397
local terms energy: -33.461137
where:
bonds (distance) C4'-P energy: -8.746
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -5.763
flat angles P-C4'-P energy: -9.593
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: 5, replica: 9
=====================================
Write number: 356
Temperature: 2.416667
Total energy: -42.185924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.185924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.185924 (E_RNA)
where:
Base-Base interactions energy: -8.362
where: short stacking energy: -4.387
Base-Backbone interact. energy: -0.190
local terms energy: -33.633925
where:
bonds (distance) C4'-P energy: -8.254
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -2.850
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: 2
=====================================
Write number: 356
Temperature: 2.433333
Total energy: -39.024852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.024852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.024852 (E_RNA)
where:
Base-Base interactions energy: -10.811
where: short stacking energy: -7.195
Base-Backbone interact. energy: 0.973
local terms energy: -29.186930
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -7.140
flat angles C4'-P-C4' energy: -7.769
flat angles P-C4'-P energy: -3.742
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: 7, replica: 10
=====================================
Write number: 356
Temperature: 2.450000
Total energy: -36.046626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.046626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.046626 (E_RNA)
where:
Base-Base interactions energy: -3.022
where: short stacking energy: -2.149
Base-Backbone interact. energy: 3.114
local terms energy: -36.138356
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -8.531
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: 6.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 356
Temperature: 2.466667
Total energy: -40.419098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.419098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.419098 (E_RNA)
where:
Base-Base interactions energy: -4.271
where: short stacking energy: -4.271
Base-Backbone interact. energy: -0.198
local terms energy: -35.949529
where:
bonds (distance) C4'-P energy: -7.951
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -5.127
tors. eta vs tors. theta energy: 5.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 2.483333
Total energy: -36.922815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.922815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.922815 (E_RNA)
where:
Base-Base interactions energy: -8.878
where: short stacking energy: -7.470
Base-Backbone interact. energy: 4.806
local terms energy: -32.850631
where:
bonds (distance) C4'-P energy: -7.356
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -8.181
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: 10, replica: 6
=====================================
Write number: 356
Temperature: 2.500000
Total energy: -45.078940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.078940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.078940 (E_RNA)
where:
Base-Base interactions energy: -9.886
where: short stacking energy: -9.725
Base-Backbone interact. energy: 0.551
local terms energy: -35.744116
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: 11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 357
Temperature: 2.350000
Total energy: -35.327329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.327329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.327329 (E_RNA)
where:
Base-Base interactions energy: -12.127
where: short stacking energy: -6.840
Base-Backbone interact. energy: 0.780
local terms energy: -23.979880
where:
bonds (distance) C4'-P energy: -8.693
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -10.013
flat angles P-C4'-P energy: -2.666
tors. eta vs tors. theta energy: 11.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 357
Temperature: 2.366667
Total energy: -44.007796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.007796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.007796 (E_RNA)
where:
Base-Base interactions energy: -11.985
where: short stacking energy: -9.425
Base-Backbone interact. energy: -0.330
local terms energy: -31.692211
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -2.057
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: 0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 357
Temperature: 2.383333
Total energy: -40.464907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.464907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.464907 (E_RNA)
where:
Base-Base interactions energy: -11.247
where: short stacking energy: -10.238
Base-Backbone interact. energy: -0.298
local terms energy: -28.919687
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -0.876
tors. eta vs tors. theta energy: 11.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 357
Temperature: 2.400000
Total energy: -44.551336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.551336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.551336 (E_RNA)
where:
Base-Base interactions energy: -9.519
where: short stacking energy: -9.519
Base-Backbone interact. energy: -0.098
local terms energy: -34.933703
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -6.186
flat angles P-C4'-P energy: -9.156
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: 5, replica: 4
=====================================
Write number: 357
Temperature: 2.416667
Total energy: -35.931157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.931157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.931157 (E_RNA)
where:
Base-Base interactions energy: -5.561
where: short stacking energy: -4.159
Base-Backbone interact. energy: 0.259
local terms energy: -30.629151
where:
bonds (distance) C4'-P energy: -8.042
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -4.355
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: 7.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 357
Temperature: 2.433333
Total energy: -37.260446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.260446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.260446 (E_RNA)
where:
Base-Base interactions energy: -9.129
where: short stacking energy: -7.783
Base-Backbone interact. energy: -0.808
local terms energy: -27.323830
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -7.696
flat angles C4'-P-C4' energy: -6.352
flat angles P-C4'-P energy: -3.491
tors. eta vs tors. theta energy: 4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 357
Temperature: 2.450000
Total energy: -31.323731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.323731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.323731 (E_RNA)
where:
Base-Base interactions energy: -7.090
where: short stacking energy: -1.168
Base-Backbone interact. energy: -1.983
local terms energy: -22.250936
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -8.412
flat angles P-C4'-P energy: 0.315
tors. eta vs tors. theta energy: 10.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 357
Temperature: 2.466667
Total energy: -35.261928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.261928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.261928 (E_RNA)
where:
Base-Base interactions energy: -6.506
where: short stacking energy: -6.033
Base-Backbone interact. energy: 2.141
local terms energy: -30.896592
where:
bonds (distance) C4'-P energy: -9.484
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -6.365
flat angles P-C4'-P energy: -2.963
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: 9, replica: 5
=====================================
Write number: 357
Temperature: 2.483333
Total energy: -36.894772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.894772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.894772 (E_RNA)
where:
Base-Base interactions energy: -4.745
where: short stacking energy: -3.999
Base-Backbone interact. energy: 0.152
local terms energy: -32.301296
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: 1.614
tors. eta vs tors. theta energy: 8.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 2.500000
Total energy: -41.109626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.109626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.109626 (E_RNA)
where:
Base-Base interactions energy: -2.498
where: short stacking energy: -1.557
Base-Backbone interact. energy: -0.380
local terms energy: -38.232017
where:
bonds (distance) C4'-P energy: -8.452
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -7.931
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: 1
=====================================
Write number: 358
Temperature: 2.350000
Total energy: -41.300028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.300028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.300028 (E_RNA)
where:
Base-Base interactions energy: -10.239
where: short stacking energy: -10.639
Base-Backbone interact. energy: 2.960
local terms energy: -34.021680
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -7.101
flat angles P-C4'-P energy: -3.025
tors. eta vs tors. theta energy: 3.555
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: 3
=====================================
Write number: 358
Temperature: 2.366667
Total energy: -38.591118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.591118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.591118 (E_RNA)
where:
Base-Base interactions energy: -15.061
where: short stacking energy: -15.061
Base-Backbone interact. energy: -0.098
local terms energy: -23.432029
where:
bonds (distance) C4'-P energy: -6.970
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -6.669
flat angles P-C4'-P energy: 0.399
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: 3, replica: 9
=====================================
Write number: 358
Temperature: 2.383333
Total energy: -39.060431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.060431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.060431 (E_RNA)
where:
Base-Base interactions energy: -6.641
where: short stacking energy: -5.418
Base-Backbone interact. energy: -0.009
local terms energy: -32.410376
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -5.941
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: 9.766
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: 8
=====================================
Write number: 358
Temperature: 2.400000
Total energy: -40.348279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.348279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.348279 (E_RNA)
where:
Base-Base interactions energy: -9.389
where: short stacking energy: -9.278
Base-Backbone interact. energy: 1.972
local terms energy: -32.931252
where:
bonds (distance) C4'-P energy: -6.324
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -4.572
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: 3.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 358
Temperature: 2.416667
Total energy: -33.748064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.748064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.748064 (E_RNA)
where:
Base-Base interactions energy: -5.818
where: short stacking energy: -5.818
Base-Backbone interact. energy: -0.388
local terms energy: -27.542753
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -8.847
flat angles C4'-P-C4' energy: -5.644
flat angles P-C4'-P energy: -0.611
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: 6, replica: 4
=====================================
Write number: 358
Temperature: 2.433333
Total energy: -35.503071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.503071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.503071 (E_RNA)
where:
Base-Base interactions energy: -7.878
where: short stacking energy: -6.836
Base-Backbone interact. energy: -1.226
local terms energy: -26.398539
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -9.785
flat angles P-C4'-P energy: 1.162
tors. eta vs tors. theta energy: 8.328
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: 7
=====================================
Write number: 358
Temperature: 2.450000
Total energy: -39.550170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.550170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.550170 (E_RNA)
where:
Base-Base interactions energy: -1.861
where: short stacking energy: -0.919
Base-Backbone interact. energy: -0.337
local terms energy: -37.351964
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -0.630
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: 8, replica: 2
=====================================
Write number: 358
Temperature: 2.466667
Total energy: -33.456990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.456990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.456990 (E_RNA)
where:
Base-Base interactions energy: -6.589
where: short stacking energy: -5.853
Base-Backbone interact. energy: -0.174
local terms energy: -26.693875
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -4.556
flat angles P-C4'-P energy: 0.637
tors. eta vs tors. theta energy: 4.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 2.483333
Total energy: -47.510914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.510914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.510914 (E_RNA)
where:
Base-Base interactions energy: -15.140
where: short stacking energy: -14.841
Base-Backbone interact. energy: -0.126
local terms energy: -32.244704
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -7.101
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -7.970
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: 10, replica: 5
=====================================
Write number: 358
Temperature: 2.500000
Total energy: -38.275715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.275715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.275715 (E_RNA)
where:
Base-Base interactions energy: -2.272
where: short stacking energy: -2.272
Base-Backbone interact. energy: -0.338
local terms energy: -35.665222
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -7.789
flat angles P-C4'-P energy: -9.094
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: 1, replica: 1
=====================================
Write number: 359
Temperature: 2.350000
Total energy: -34.585812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.585812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.585812 (E_RNA)
where:
Base-Base interactions energy: -11.042
where: short stacking energy: -11.742
Base-Backbone interact. energy: -0.210
local terms energy: -23.333666
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -1.426
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: 9.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 359
Temperature: 2.366667
Total energy: -39.810502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.810502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.810502 (E_RNA)
where:
Base-Base interactions energy: -5.335
where: short stacking energy: -8.244
Base-Backbone interact. energy: 1.646
local terms energy: -36.121851
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -9.349
flat angles P-C4'-P energy: -4.497
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: 3, replica: 3
=====================================
Write number: 359
Temperature: 2.383333
Total energy: -34.654628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.654628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.654628 (E_RNA)
where:
Base-Base interactions energy: -4.353
where: short stacking energy: -2.430
Base-Backbone interact. energy: 0.786
local terms energy: -31.087095
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -6.050
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: 11.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 359
Temperature: 2.400000
Total energy: -35.915710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.915710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.915710 (E_RNA)
where:
Base-Base interactions energy: -7.318
where: short stacking energy: -6.565
Base-Backbone interact. energy: -0.078
local terms energy: -28.519813
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -0.648
flat angles P-C4'-P energy: -4.434
tors. eta vs tors. theta energy: 6.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 359
Temperature: 2.416667
Total energy: -37.542667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.542667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.542667 (E_RNA)
where:
Base-Base interactions energy: -2.190
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.655
local terms energy: -34.697093
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: 9.511
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: 7
=====================================
Write number: 359
Temperature: 2.433333
Total energy: -31.383396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.383396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.383396 (E_RNA)
where:
Base-Base interactions energy: -1.146
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.136
local terms energy: -30.101479
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -2.184
tors. eta vs tors. theta energy: 13.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 359
Temperature: 2.450000
Total energy: -32.151952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.151952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.151952 (E_RNA)
where:
Base-Base interactions energy: -9.923
where: short stacking energy: -9.484
Base-Backbone interact. energy: 0.369
local terms energy: -22.598602
where:
bonds (distance) C4'-P energy: -8.696
bonds (distance) P-C4' energy: -8.788
flat angles C4'-P-C4' energy: -6.317
flat angles P-C4'-P energy: -2.889
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: 8, replica: 6
=====================================
Write number: 359
Temperature: 2.466667
Total energy: -38.393678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.393678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.393678 (E_RNA)
where:
Base-Base interactions energy: -9.486
where: short stacking energy: -5.446
Base-Backbone interact. energy: -1.012
local terms energy: -27.895017
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -4.278
flat angles P-C4'-P energy: -1.209
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: 9, replica: 2
=====================================
Write number: 359
Temperature: 2.483333
Total energy: -34.949765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.949765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.949765 (E_RNA)
where:
Base-Base interactions energy: -4.959
where: short stacking energy: -4.959
Base-Backbone interact. energy: -0.257
local terms energy: -29.733050
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: 2.951
tors. eta vs tors. theta energy: 1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 359
Temperature: 2.500000
Total energy: -36.235978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.235978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.235978 (E_RNA)
where:
Base-Base interactions energy: -6.676
where: short stacking energy: -5.708
Base-Backbone interact. energy: 0.222
local terms energy: -29.782376
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -5.840
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: 9.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 360
Temperature: 2.350000
Total energy: -34.537811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.537811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.537811 (E_RNA)
where:
Base-Base interactions energy: -5.354
where: short stacking energy: -5.354
Base-Backbone interact. energy: -0.615
local terms energy: -28.568730
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -10.212
flat angles C4'-P-C4' energy: -9.797
flat angles P-C4'-P energy: -3.852
tors. eta vs tors. theta energy: 8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 2.366667
Total energy: -42.710201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.710201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.710201 (E_RNA)
where:
Base-Base interactions energy: -6.534
where: short stacking energy: -1.610
Base-Backbone interact. energy: -0.663
local terms energy: -35.513728
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: 10.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 360
Temperature: 2.383333
Total energy: -33.908123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.908123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.908123 (E_RNA)
where:
Base-Base interactions energy: -6.869
where: short stacking energy: -6.356
Base-Backbone interact. energy: 1.931
local terms energy: -28.969583
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -8.317
flat angles C4'-P-C4' energy: -7.493
flat angles P-C4'-P energy: -9.938
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: 3
=====================================
Write number: 360
Temperature: 2.400000
Total energy: -38.661720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.661720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.661720 (E_RNA)
where:
Base-Base interactions energy: -6.299
where: short stacking energy: -6.299
Base-Backbone interact. energy: -0.110
local terms energy: -32.252931
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -9.469
flat angles C4'-P-C4' energy: -9.341
flat angles P-C4'-P energy: -1.658
tors. eta vs tors. theta energy: 6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 360
Temperature: 2.416667
Total energy: -36.671835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.671835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.671835 (E_RNA)
where:
Base-Base interactions energy: -16.492
where: short stacking energy: -16.492
Base-Backbone interact. energy: -0.115
local terms energy: -20.064908
where:
bonds (distance) C4'-P energy: -7.367
bonds (distance) P-C4' energy: -7.689
flat angles C4'-P-C4' energy: -4.686
flat angles P-C4'-P energy: -6.455
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: 6, replica: 8
=====================================
Write number: 360
Temperature: 2.433333
Total energy: -46.392026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.392026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.392026 (E_RNA)
where:
Base-Base interactions energy: -13.076
where: short stacking energy: -6.336
Base-Backbone interact. energy: -0.117
local terms energy: -33.198218
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -4.300
tors. eta vs tors. theta energy: 7.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 360
Temperature: 2.450000
Total energy: -42.219782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.219782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.219782 (E_RNA)
where:
Base-Base interactions energy: -7.321
where: short stacking energy: -6.365
Base-Backbone interact. energy: -0.935
local terms energy: -33.962994
where:
bonds (distance) C4'-P energy: -8.327
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -9.242
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: 5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 2.466667
Total energy: -37.307061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.307061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.307061 (E_RNA)
where:
Base-Base interactions energy: -8.293
where: short stacking energy: -6.183
Base-Backbone interact. energy: -0.557
local terms energy: -28.457082
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -5.618
flat angles P-C4'-P energy: -2.801
tors. eta vs tors. theta energy: 12.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 360
Temperature: 2.483333
Total energy: -47.562559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.562559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.562559 (E_RNA)
where:
Base-Base interactions energy: -10.639
where: short stacking energy: -6.880
Base-Backbone interact. energy: -0.587
local terms energy: -36.336461
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -8.246
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: 6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 360
Temperature: 2.500000
Total energy: -41.698759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.698759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.698759 (E_RNA)
where:
Base-Base interactions energy: -2.979
where: short stacking energy: -1.003
Base-Backbone interact. energy: -0.284
local terms energy: -38.435804
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -6.008
tors. eta vs tors. theta energy: 3.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 361
Temperature: 2.350000
Total energy: -40.301143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.301143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.301143 (E_RNA)
where:
Base-Base interactions energy: -1.546
where: short stacking energy: -1.460
Base-Backbone interact. energy: 1.285
local terms energy: -40.039697
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: 10.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 361
Temperature: 2.366667
Total energy: -37.722742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.722742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.722742 (E_RNA)
where:
Base-Base interactions energy: -5.136
where: short stacking energy: -4.984
Base-Backbone interact. energy: -0.067
local terms energy: -32.520164
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -8.826
flat angles P-C4'-P energy: 2.131
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: 3, replica: 1
=====================================
Write number: 361
Temperature: 2.383333
Total energy: -35.816610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.816610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.816610 (E_RNA)
where:
Base-Base interactions energy: -4.322
where: short stacking energy: -5.146
Base-Backbone interact. energy: 4.060
local terms energy: -35.554617
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -5.927
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: 4, replica: 7
=====================================
Write number: 361
Temperature: 2.400000
Total energy: -37.086265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.086265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.086265 (E_RNA)
where:
Base-Base interactions energy: -10.908
where: short stacking energy: -10.908
Base-Backbone interact. energy: -0.270
local terms energy: -25.908718
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -8.668
flat angles C4'-P-C4' energy: -9.459
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: 5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 361
Temperature: 2.416667
Total energy: -33.539462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.539462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.539462 (E_RNA)
where:
Base-Base interactions energy: -7.363
where: short stacking energy: -5.954
Base-Backbone interact. energy: -1.447
local terms energy: -24.729841
where:
bonds (distance) C4'-P energy: -8.734
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -2.214
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: 11.818
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: 6
=====================================
Write number: 361
Temperature: 2.433333
Total energy: -34.829206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.829206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.829206 (E_RNA)
where:
Base-Base interactions energy: -18.965
where: short stacking energy: -17.035
Base-Backbone interact. energy: -0.154
local terms energy: -15.710867
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -7.343
flat angles C4'-P-C4' energy: -4.337
flat angles P-C4'-P energy: 9.567
tors. eta vs tors. theta energy: 2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 2.450000
Total energy: -33.683385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.683385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.683385 (E_RNA)
where:
Base-Base interactions energy: -2.721
where: short stacking energy: -2.417
Base-Backbone interact. energy: -0.299
local terms energy: -30.663144
where:
bonds (distance) C4'-P energy: -7.153
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: -0.827
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: 8, replica: 5
=====================================
Write number: 361
Temperature: 2.466667
Total energy: -35.858281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.858281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.858281 (E_RNA)
where:
Base-Base interactions energy: -7.772
where: short stacking energy: -6.083
Base-Backbone interact. energy: -0.261
local terms energy: -27.825219
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -6.985
flat angles P-C4'-P energy: -6.719
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: 4
=====================================
Write number: 361
Temperature: 2.483333
Total energy: -33.210120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.210120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.210120 (E_RNA)
where:
Base-Base interactions energy: 0.178
where: short stacking energy: -2.032
Base-Backbone interact. energy: 0.743
local terms energy: -34.131291
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -6.633
flat angles P-C4'-P energy: -7.877
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: 10, replica: 2
=====================================
Write number: 361
Temperature: 2.500000
Total energy: -37.158420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.158420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.158420 (E_RNA)
where:
Base-Base interactions energy: -3.239
where: short stacking energy: -0.959
Base-Backbone interact. energy: 0.775
local terms energy: -34.694527
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -2.319
tors. eta vs tors. theta energy: 3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 362
Temperature: 2.350000
Total energy: -37.820318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.820318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.820318 (E_RNA)
where:
Base-Base interactions energy: -9.325
where: short stacking energy: -10.951
Base-Backbone interact. energy: 0.101
local terms energy: -28.596310
where:
bonds (distance) C4'-P energy: -6.713
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -2.651
tors. eta vs tors. theta energy: 7.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 362
Temperature: 2.366667
Total energy: -43.231021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.231021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.231021 (E_RNA)
where:
Base-Base interactions energy: -0.899
where: short stacking energy: -1.360
Base-Backbone interact. energy: -0.595
local terms energy: -41.736573
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -5.794
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: 3, replica: 7
=====================================
Write number: 362
Temperature: 2.383333
Total energy: -42.466378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.466378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.466378 (E_RNA)
where:
Base-Base interactions energy: -10.755
where: short stacking energy: -8.650
Base-Backbone interact. energy: -0.800
local terms energy: -30.910545
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: 0.537
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 362
Temperature: 2.400000
Total energy: -35.657940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.657940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.657940 (E_RNA)
where:
Base-Base interactions energy: -11.151
where: short stacking energy: -8.906
Base-Backbone interact. energy: 0.192
local terms energy: -24.699180
where:
bonds (distance) C4'-P energy: -5.321
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -6.910
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: 11.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 362
Temperature: 2.416667
Total energy: -40.956195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.956195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.956195 (E_RNA)
where:
Base-Base interactions energy: -12.896
where: short stacking energy: -12.896
Base-Backbone interact. energy: -0.322
local terms energy: -27.737908
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -8.558
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: 8.533
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: 3
=====================================
Write number: 362
Temperature: 2.433333
Total energy: -38.278195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.278195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.278195 (E_RNA)
where:
Base-Base interactions energy: -3.408
where: short stacking energy: -3.408
Base-Backbone interact. energy: -0.073
local terms energy: -34.796811
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -1.950
tors. eta vs tors. theta energy: 7.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 362
Temperature: 2.450000
Total energy: -36.772465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.772465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.772465 (E_RNA)
where:
Base-Base interactions energy: -5.034
where: short stacking energy: -4.970
Base-Backbone interact. energy: 3.079
local terms energy: -34.816884
where:
bonds (distance) C4'-P energy: -18.126
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -4.462
tors. eta vs tors. theta energy: 7.857
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: 8, replica: 8
=====================================
Write number: 362
Temperature: 2.466667
Total energy: -38.857176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.857176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.857176 (E_RNA)
where:
Base-Base interactions energy: -4.486
where: short stacking energy: -4.486
Base-Backbone interact. energy: -0.485
local terms energy: -33.886640
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -10.962
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -3.651
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: 9, replica: 2
=====================================
Write number: 362
Temperature: 2.483333
Total energy: -33.671432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.671432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.671432 (E_RNA)
where:
Base-Base interactions energy: -1.575
where: short stacking energy: -1.737
Base-Backbone interact. energy: -0.482
local terms energy: -31.614427
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -3.538
tors. eta vs tors. theta energy: 9.067
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: 4
=====================================
Write number: 362
Temperature: 2.500000
Total energy: -35.070257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.070257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.070257 (E_RNA)
where:
Base-Base interactions energy: -5.765
where: short stacking energy: -5.701
Base-Backbone interact. energy: -0.120
local terms energy: -29.185481
where:
bonds (distance) C4'-P energy: -4.049
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -2.674
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: 1, replica: 10
=====================================
Write number: 363
Temperature: 2.350000
Total energy: -36.880216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.880216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.880216 (E_RNA)
where:
Base-Base interactions energy: -3.297
where: short stacking energy: -3.946
Base-Backbone interact. energy: -0.240
local terms energy: -33.343378
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -5.958
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: 9.173
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: 2, replica: 7
=====================================
Write number: 363
Temperature: 2.366667
Total energy: -44.191738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.191738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.191738 (E_RNA)
where:
Base-Base interactions energy: -12.569
where: short stacking energy: -8.680
Base-Backbone interact. energy: -0.319
local terms energy: -31.304026
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -5.988
flat angles C4'-P-C4' energy: -8.125
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: 6.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 363
Temperature: 2.383333
Total energy: -43.710832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.710832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.710832 (E_RNA)
where:
Base-Base interactions energy: -10.116
where: short stacking energy: -10.188
Base-Backbone interact. energy: -0.109
local terms energy: -33.486042
where:
bonds (distance) C4'-P energy: -8.557
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: 6.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 363
Temperature: 2.400000
Total energy: -40.603615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.603615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.603615 (E_RNA)
where:
Base-Base interactions energy: -8.269
where: short stacking energy: -4.543
Base-Backbone interact. energy: -0.433
local terms energy: -31.901368
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -5.740
flat angles P-C4'-P energy: -5.130
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: 5, replica: 1
=====================================
Write number: 363
Temperature: 2.416667
Total energy: -37.626780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.626780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.626780 (E_RNA)
where:
Base-Base interactions energy: -5.965
where: short stacking energy: -5.690
Base-Backbone interact. energy: 1.612
local terms energy: -33.273620
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -10.083
flat angles P-C4'-P energy: -3.900
tors. eta vs tors. theta energy: 8.913
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: 363
Temperature: 2.433333
Total energy: -35.262685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.262685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.262685 (E_RNA)
where:
Base-Base interactions energy: -8.273
where: short stacking energy: -8.573
Base-Backbone interact. energy: -0.491
local terms energy: -26.497967
where:
bonds (distance) C4'-P energy: -4.950
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -7.418
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: 8.420
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: 3
=====================================
Write number: 363
Temperature: 2.450000
Total energy: -49.099080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.099080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.099080 (E_RNA)
where:
Base-Base interactions energy: -14.345
where: short stacking energy: -14.238
Base-Backbone interact. energy: -0.165
local terms energy: -34.589416
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -8.836
flat angles C4'-P-C4' energy: -9.139
flat angles P-C4'-P energy: -6.276
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: 8, replica: 2
=====================================
Write number: 363
Temperature: 2.466667
Total energy: -39.929712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.929712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.929712 (E_RNA)
where:
Base-Base interactions energy: -7.190
where: short stacking energy: -7.190
Base-Backbone interact. energy: 0.566
local terms energy: -33.305023
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -10.571
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -4.273
tors. eta vs tors. theta energy: 10.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 363
Temperature: 2.483333
Total energy: -37.900460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.900460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.900460 (E_RNA)
where:
Base-Base interactions energy: -3.373
where: short stacking energy: -3.373
Base-Backbone interact. energy: 0.304
local terms energy: -34.831663
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -4.853
tors. eta vs tors. theta energy: 7.310
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: 10, replica: 4
=====================================
Write number: 363
Temperature: 2.500000
Total energy: -37.826314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.826314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.826314 (E_RNA)
where:
Base-Base interactions energy: -4.554
where: short stacking energy: -2.635
Base-Backbone interact. energy: -0.187
local terms energy: -33.085430
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -5.515
flat angles P-C4'-P energy: -4.904
tors. eta vs tors. theta energy: 6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 2.350000
Total energy: -45.885482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.885482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.885482 (E_RNA)
where:
Base-Base interactions energy: -15.733
where: short stacking energy: -15.733
Base-Backbone interact. energy: -0.379
local terms energy: -29.773716
where:
bonds (distance) C4'-P energy: -7.835
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: 0.317
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: 2, replica: 10
=====================================
Write number: 364
Temperature: 2.366667
Total energy: -38.217701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.217701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.217701 (E_RNA)
where:
Base-Base interactions energy: -7.063
where: short stacking energy: -6.309
Base-Backbone interact. energy: -0.577
local terms energy: -30.576908
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -6.241
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -6.917
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: 6
=====================================
Write number: 364
Temperature: 2.383333
Total energy: -32.392807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.392807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.392807 (E_RNA)
where:
Base-Base interactions energy: -4.012
where: short stacking energy: -2.537
Base-Backbone interact. energy: 0.373
local terms energy: -28.753800
where:
bonds (distance) C4'-P energy: -8.841
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -8.206
flat angles P-C4'-P energy: -1.368
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: 4, replica: 9
=====================================
Write number: 364
Temperature: 2.400000
Total energy: -46.060851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.060851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.060851 (E_RNA)
where:
Base-Base interactions energy: -9.830
where: short stacking energy: -8.758
Base-Backbone interact. energy: 0.372
local terms energy: -36.602579
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: 4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 2.416667
Total energy: -40.766995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.766995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.766995 (E_RNA)
where:
Base-Base interactions energy: -5.120
where: short stacking energy: -4.904
Base-Backbone interact. energy: -1.263
local terms energy: -34.383925
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -3.848
tors. eta vs tors. theta energy: 10.287
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: 1
=====================================
Write number: 364
Temperature: 2.433333
Total energy: -38.901065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.901065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.901065 (E_RNA)
where:
Base-Base interactions energy: -4.462
where: short stacking energy: -3.938
Base-Backbone interact. energy: -0.078
local terms energy: -34.361170
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -4.465
tors. eta vs tors. theta energy: 6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 364
Temperature: 2.450000
Total energy: -38.578035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.578035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.578035 (E_RNA)
where:
Base-Base interactions energy: -8.255
where: short stacking energy: -6.892
Base-Backbone interact. energy: -0.103
local terms energy: -30.219968
where:
bonds (distance) C4'-P energy: -5.875
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -2.425
tors. eta vs tors. theta energy: 0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 364
Temperature: 2.466667
Total energy: -33.535887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.535887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.535887 (E_RNA)
where:
Base-Base interactions energy: -2.880
where: short stacking energy: -1.557
Base-Backbone interact. energy: -0.161
local terms energy: -30.494975
where:
bonds (distance) C4'-P energy: -6.760
bonds (distance) P-C4' energy: -8.920
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: 5.370
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: 4
=====================================
Write number: 364
Temperature: 2.483333
Total energy: -37.432408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.432408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.432408 (E_RNA)
where:
Base-Base interactions energy: -3.071
where: short stacking energy: -5.171
Base-Backbone interact. energy: -0.197
local terms energy: -34.164133
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -4.166
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: 6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 364
Temperature: 2.500000
Total energy: -36.087463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.087463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.087463 (E_RNA)
where:
Base-Base interactions energy: -5.150
where: short stacking energy: -4.922
Base-Backbone interact. energy: 3.730
local terms energy: -34.667185
where:
bonds (distance) C4'-P energy: -9.852
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: 7.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 2.350000
Total energy: -44.819327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.819327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.819327 (E_RNA)
where:
Base-Base interactions energy: -1.860
where: short stacking energy: -1.353
Base-Backbone interact. energy: -0.161
local terms energy: -42.798386
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -11.145
flat angles C4'-P-C4' energy: -8.647
flat angles P-C4'-P energy: -8.562
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: 2, replica: 6
=====================================
Write number: 365
Temperature: 2.366667
Total energy: -37.700350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.700350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.700350 (E_RNA)
where:
Base-Base interactions energy: -8.729
where: short stacking energy: -7.600
Base-Backbone interact. energy: -0.346
local terms energy: -28.625470
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -6.662
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: 8.810
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: 10
=====================================
Write number: 365
Temperature: 2.383333
Total energy: -36.201378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.201378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.201378 (E_RNA)
where:
Base-Base interactions energy: -6.900
where: short stacking energy: -7.200
Base-Backbone interact. energy: -0.905
local terms energy: -28.396814
where:
bonds (distance) C4'-P energy: -4.795
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -6.160
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: 4, replica: 5
=====================================
Write number: 365
Temperature: 2.400000
Total energy: -33.745343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.745343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.745343 (E_RNA)
where:
Base-Base interactions energy: -7.166
where: short stacking energy: -4.803
Base-Backbone interact. energy: -0.753
local terms energy: -25.826972
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -10.093
flat angles C4'-P-C4' energy: -5.302
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: 8.556
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: 9
=====================================
Write number: 365
Temperature: 2.416667
Total energy: -34.828080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.828080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.828080 (E_RNA)
where:
Base-Base interactions energy: -3.792
where: short stacking energy: -3.323
Base-Backbone interact. energy: -0.364
local terms energy: -30.672065
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -4.604
tors. eta vs tors. theta energy: 11.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 2.433333
Total energy: -38.441182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.441182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.441182 (E_RNA)
where:
Base-Base interactions energy: -9.616
where: short stacking energy: -9.450
Base-Backbone interact. energy: -0.199
local terms energy: -28.626724
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -10.751
flat angles C4'-P-C4' energy: -6.531
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: 8.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 365
Temperature: 2.450000
Total energy: -38.318308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.318308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.318308 (E_RNA)
where:
Base-Base interactions energy: -7.624
where: short stacking energy: -5.640
Base-Backbone interact. energy: 0.963
local terms energy: -31.656389
where:
bonds (distance) C4'-P energy: -8.887
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -5.033
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: 9.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 365
Temperature: 2.466667
Total energy: -34.539035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.539035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.539035 (E_RNA)
where:
Base-Base interactions energy: -8.034
where: short stacking energy: -7.865
Base-Backbone interact. energy: -0.397
local terms energy: -26.108171
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -5.351
flat angles P-C4'-P energy: 3.564
tors. eta vs tors. theta energy: 0.844
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: 3
=====================================
Write number: 365
Temperature: 2.483333
Total energy: -39.808989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.808989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.808989 (E_RNA)
where:
Base-Base interactions energy: 0.243
where: short stacking energy: 0.640
Base-Backbone interact. energy: -0.203
local terms energy: -39.849252
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -4.438
flat angles P-C4'-P energy: -7.422
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: 10, replica: 8
=====================================
Write number: 365
Temperature: 2.500000
Total energy: -37.476134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.476134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.476134 (E_RNA)
where:
Base-Base interactions energy: -2.681
where: short stacking energy: -2.480
Base-Backbone interact. energy: -0.552
local terms energy: -34.242437
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: 3.308
tors. eta vs tors. theta energy: 5.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 366
Temperature: 2.350000
Total energy: -41.875016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.875016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.875016 (E_RNA)
where:
Base-Base interactions energy: -1.904
where: short stacking energy: -1.071
Base-Backbone interact. energy: -0.258
local terms energy: -39.713065
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -6.311
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: 11.497
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: 7
=====================================
Write number: 366
Temperature: 2.366667
Total energy: -47.293372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.293372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.293372 (E_RNA)
where:
Base-Base interactions energy: -5.051
where: short stacking energy: -4.436
Base-Backbone interact. energy: -0.110
local terms energy: -42.133172
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -4.792
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: 3, replica: 5
=====================================
Write number: 366
Temperature: 2.383333
Total energy: -39.507424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.507424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.507424 (E_RNA)
where:
Base-Base interactions energy: -11.691
where: short stacking energy: -11.691
Base-Backbone interact. energy: -0.379
local terms energy: -27.437344
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -7.187
flat angles C4'-P-C4' energy: -7.195
flat angles P-C4'-P energy: -5.364
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: 4, replica: 10
=====================================
Write number: 366
Temperature: 2.400000
Total energy: -37.051786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.051786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.051786 (E_RNA)
where:
Base-Base interactions energy: -0.129
where: short stacking energy: -0.129
Base-Backbone interact. energy: -0.213
local terms energy: -36.709273
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -8.109
flat angles P-C4'-P energy: -2.097
tors. eta vs tors. theta energy: 6.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 2.416667
Total energy: -35.565988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.565988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.565988 (E_RNA)
where:
Base-Base interactions energy: -7.109
where: short stacking energy: -5.220
Base-Backbone interact. energy: 2.447
local terms energy: -30.904014
where:
bonds (distance) C4'-P energy: -9.707
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: 12.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 366
Temperature: 2.433333
Total energy: -37.007208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.007208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.007208 (E_RNA)
where:
Base-Base interactions energy: -6.805
where: short stacking energy: -4.754
Base-Backbone interact. energy: -0.130
local terms energy: -30.072247
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: 0.605
tors. eta vs tors. theta energy: 5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 366
Temperature: 2.450000
Total energy: -36.170468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.170468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.170468 (E_RNA)
where:
Base-Base interactions energy: -7.572
where: short stacking energy: -6.218
Base-Backbone interact. energy: 1.655
local terms energy: -30.253512
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -6.597
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: 10.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 366
Temperature: 2.466667
Total energy: -40.812201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.812201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.812201 (E_RNA)
where:
Base-Base interactions energy: -3.870
where: short stacking energy: -3.870
Base-Backbone interact. energy: -0.674
local terms energy: -36.268115
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -9.449
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: 5.611
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: 8
=====================================
Write number: 366
Temperature: 2.483333
Total energy: -31.953703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.953703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.953703 (E_RNA)
where:
Base-Base interactions energy: -5.753
where: short stacking energy: -4.075
Base-Backbone interact. energy: -0.936
local terms energy: -25.265176
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -5.559
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: 8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 366
Temperature: 2.500000
Total energy: -44.088787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.088787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.088787 (E_RNA)
where:
Base-Base interactions energy: -9.381
where: short stacking energy: -7.449
Base-Backbone interact. energy: 4.194
local terms energy: -38.902579
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: 5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 367
Temperature: 2.350000
Total energy: -39.798106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.798106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.798106 (E_RNA)
where:
Base-Base interactions energy: -7.296
where: short stacking energy: -5.951
Base-Backbone interact. energy: -0.412
local terms energy: -32.089966
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -3.909
flat angles P-C4'-P energy: -6.951
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: 2, replica: 5
=====================================
Write number: 367
Temperature: 2.366667
Total energy: -37.421033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.421033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.421033 (E_RNA)
where:
Base-Base interactions energy: -12.804
where: short stacking energy: -10.511
Base-Backbone interact. energy: -0.441
local terms energy: -24.175118
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -10.202
flat angles C4'-P-C4' energy: -3.307
flat angles P-C4'-P energy: -0.352
tors. eta vs tors. theta energy: 2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 367
Temperature: 2.383333
Total energy: -46.644725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.644725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.644725 (E_RNA)
where:
Base-Base interactions energy: -6.672
where: short stacking energy: -5.791
Base-Backbone interact. energy: -0.238
local terms energy: -39.734924
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: 7.619
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: 367
Temperature: 2.400000
Total energy: -37.873178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.873178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.873178 (E_RNA)
where:
Base-Base interactions energy: -9.065
where: short stacking energy: -7.477
Base-Backbone interact. energy: 0.295
local terms energy: -29.103142
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -5.451
flat angles P-C4'-P energy: -4.368
tors. eta vs tors. theta energy: 8.295
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: 10
=====================================
Write number: 367
Temperature: 2.416667
Total energy: -39.327901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.327901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.327901 (E_RNA)
where:
Base-Base interactions energy: -7.910
where: short stacking energy: -7.910
Base-Backbone interact. energy: -0.305
local terms energy: -31.113810
where:
bonds (distance) C4'-P energy: -7.649
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -1.630
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: 6, replica: 4
=====================================
Write number: 367
Temperature: 2.433333
Total energy: -38.870129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.870129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.870129 (E_RNA)
where:
Base-Base interactions energy: -20.578
where: short stacking energy: -19.943
Base-Backbone interact. energy: 0.036
local terms energy: -18.328235
where:
bonds (distance) C4'-P energy: 0.813
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -3.300
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: 7, replica: 9
=====================================
Write number: 367
Temperature: 2.450000
Total energy: -34.578415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.578415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.578415 (E_RNA)
where:
Base-Base interactions energy: -0.288
where: short stacking energy: 0.560
Base-Backbone interact. energy: -0.870
local terms energy: -33.420692
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -7.993
flat angles P-C4'-P energy: -5.480
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: 8, replica: 8
=====================================
Write number: 367
Temperature: 2.466667
Total energy: -33.358308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.358308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.358308 (E_RNA)
where:
Base-Base interactions energy: -10.046
where: short stacking energy: -9.852
Base-Backbone interact. energy: -0.423
local terms energy: -22.889584
where:
bonds (distance) C4'-P energy: -8.672
bonds (distance) P-C4' energy: -9.651
flat angles C4'-P-C4' energy: -6.038
flat angles P-C4'-P energy: -2.976
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: 9, replica: 1
=====================================
Write number: 367
Temperature: 2.483333
Total energy: -34.531254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.531254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.531254 (E_RNA)
where:
Base-Base interactions energy: -6.319
where: short stacking energy: -4.917
Base-Backbone interact. energy: -0.655
local terms energy: -27.557375
where:
bonds (distance) C4'-P energy: -7.476
bonds (distance) P-C4' energy: -10.018
flat angles C4'-P-C4' energy: -7.822
flat angles P-C4'-P energy: -7.108
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: 10, replica: 3
=====================================
Write number: 367
Temperature: 2.500000
Total energy: -38.041412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.041412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.041412 (E_RNA)
where:
Base-Base interactions energy: -8.554
where: short stacking energy: -8.820
Base-Backbone interact. energy: -0.417
local terms energy: -29.070149
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -3.243
tors. eta vs tors. theta energy: 11.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 368
Temperature: 2.350000
Total energy: -35.554169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.554169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.554169 (E_RNA)
where:
Base-Base interactions energy: -13.258
where: short stacking energy: -6.363
Base-Backbone interact. energy: -0.333
local terms energy: -21.962996
where:
bonds (distance) C4'-P energy: -5.786
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -3.986
flat angles P-C4'-P energy: -1.090
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: 2, replica: 6
=====================================
Write number: 368
Temperature: 2.366667
Total energy: -40.361804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.361804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.361804 (E_RNA)
where:
Base-Base interactions energy: -9.283
where: short stacking energy: -4.621
Base-Backbone interact. energy: -0.865
local terms energy: -30.213698
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: 0.443
tors. eta vs tors. theta energy: 9.380
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: 2
=====================================
Write number: 368
Temperature: 2.383333
Total energy: -38.748819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.748819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.748819 (E_RNA)
where:
Base-Base interactions energy: -9.680
where: short stacking energy: -9.680
Base-Backbone interact. energy: -0.159
local terms energy: -28.909428
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -9.593
flat angles P-C4'-P energy: 0.228
tors. eta vs tors. theta energy: 9.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 368
Temperature: 2.400000
Total energy: -42.322038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.322038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.322038 (E_RNA)
where:
Base-Base interactions energy: -10.262
where: short stacking energy: -8.906
Base-Backbone interact. energy: -0.311
local terms energy: -31.749202
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: 9.726
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: 4
=====================================
Write number: 368
Temperature: 2.416667
Total energy: -37.649363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.649363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.649363 (E_RNA)
where:
Base-Base interactions energy: -6.754
where: short stacking energy: -6.378
Base-Backbone interact. energy: -0.293
local terms energy: -30.602323
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: 6.642
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: 6, replica: 10
=====================================
Write number: 368
Temperature: 2.433333
Total energy: -42.254296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.254296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.254296 (E_RNA)
where:
Base-Base interactions energy: -12.133
where: short stacking energy: -8.389
Base-Backbone interact. energy: -2.460
local terms energy: -27.661894
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -8.070
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: 11.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 368
Temperature: 2.450000
Total energy: -37.885913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.885913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.885913 (E_RNA)
where:
Base-Base interactions energy: -10.327
where: short stacking energy: -9.078
Base-Backbone interact. energy: -0.187
local terms energy: -27.371957
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -7.673
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: 9.795
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: 9
=====================================
Write number: 368
Temperature: 2.466667
Total energy: -38.611112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.611112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.611112 (E_RNA)
where:
Base-Base interactions energy: -9.475
where: short stacking energy: -9.118
Base-Backbone interact. energy: -0.865
local terms energy: -28.270800
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: 2.638
tors. eta vs tors. theta energy: 9.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 368
Temperature: 2.483333
Total energy: -37.717029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.717029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.717029 (E_RNA)
where:
Base-Base interactions energy: -2.971
where: short stacking energy: -4.650
Base-Backbone interact. energy: -0.493
local terms energy: -34.252585
where:
bonds (distance) C4'-P energy: -8.731
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -3.354
flat angles P-C4'-P energy: -12.238
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: 10, replica: 1
=====================================
Write number: 368
Temperature: 2.500000
Total energy: -34.403566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.403566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.403566 (E_RNA)
where:
Base-Base interactions energy: -2.725
where: short stacking energy: -2.725
Base-Backbone interact. energy: 0.010
local terms energy: -31.688947
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -10.101
flat angles C4'-P-C4' energy: -5.735
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: 7.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 2.350000
Total energy: -43.763168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.763168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.763168 (E_RNA)
where:
Base-Base interactions energy: -7.527
where: short stacking energy: -7.527
Base-Backbone interact. energy: -0.632
local terms energy: -35.603255
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -8.844
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: 7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 2.366667
Total energy: -36.914909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.914909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.914909 (E_RNA)
where:
Base-Base interactions energy: -9.891
where: short stacking energy: -6.936
Base-Backbone interact. energy: -0.380
local terms energy: -26.643801
where:
bonds (distance) C4'-P energy: -7.034
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -8.932
flat angles P-C4'-P energy: -2.286
tors. eta vs tors. theta energy: 6.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 369
Temperature: 2.383333
Total energy: -39.454685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.454685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.454685 (E_RNA)
where:
Base-Base interactions energy: -12.319
where: short stacking energy: -9.547
Base-Backbone interact. energy: -0.515
local terms energy: -26.620087
where:
bonds (distance) C4'-P energy: -5.202
bonds (distance) P-C4' energy: -10.658
flat angles C4'-P-C4' energy: -5.574
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: 7.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 2.400000
Total energy: -41.993348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.993348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.993348 (E_RNA)
where:
Base-Base interactions energy: -9.991
where: short stacking energy: -9.991
Base-Backbone interact. energy: -0.128
local terms energy: -31.874169
where:
bonds (distance) C4'-P energy: -9.403
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -5.601
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: 2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 369
Temperature: 2.416667
Total energy: -37.651966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.651966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.651966 (E_RNA)
where:
Base-Base interactions energy: -7.364
where: short stacking energy: -7.364
Base-Backbone interact. energy: -0.031
local terms energy: -30.257022
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -4.892
flat angles P-C4'-P energy: -0.963
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: 6, replica: 8
=====================================
Write number: 369
Temperature: 2.433333
Total energy: -35.366275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.366275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.366275 (E_RNA)
where:
Base-Base interactions energy: -5.569
where: short stacking energy: -5.098
Base-Backbone interact. energy: -0.431
local terms energy: -29.366193
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -11.359
flat angles C4'-P-C4' energy: -4.258
flat angles P-C4'-P energy: -1.686
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: 7, replica: 10
=====================================
Write number: 369
Temperature: 2.450000
Total energy: -43.404465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.404465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.404465 (E_RNA)
where:
Base-Base interactions energy: -16.047
where: short stacking energy: -10.703
Base-Backbone interact. energy: 0.078
local terms energy: -27.435436
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -0.700
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -5.679
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: 8, replica: 3
=====================================
Write number: 369
Temperature: 2.466667
Total energy: -33.548303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.548303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.548303 (E_RNA)
where:
Base-Base interactions energy: -15.723
where: short stacking energy: -7.985
Base-Backbone interact. energy: -0.353
local terms energy: -17.472363
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: 3.527
flat angles P-C4'-P energy: -0.802
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: 9, replica: 9
=====================================
Write number: 369
Temperature: 2.483333
Total energy: -39.780482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.780482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.780482 (E_RNA)
where:
Base-Base interactions energy: -5.114
where: short stacking energy: -1.061
Base-Backbone interact. energy: -0.416
local terms energy: -34.250602
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -2.670
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: 7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 369
Temperature: 2.500000
Total energy: -33.944777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.944777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.944777 (E_RNA)
where:
Base-Base interactions energy: -7.676
where: short stacking energy: -6.833
Base-Backbone interact. energy: -0.079
local terms energy: -26.190074
where:
bonds (distance) C4'-P energy: -7.442
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -2.775
flat angles P-C4'-P energy: -6.742
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: 1, replica: 2
=====================================
Write number: 370
Temperature: 2.350000
Total energy: -38.586089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.586089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.586089 (E_RNA)
where:
Base-Base interactions energy: -9.394
where: short stacking energy: -5.938
Base-Backbone interact. energy: 0.726
local terms energy: -29.917794
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -8.453
flat angles P-C4'-P energy: -2.750
tors. eta vs tors. theta energy: 9.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 370
Temperature: 2.366667
Total energy: -34.913326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.913326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.913326 (E_RNA)
where:
Base-Base interactions energy: -6.261
where: short stacking energy: -4.725
Base-Backbone interact. energy: 2.662
local terms energy: -31.314504
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -6.358
flat angles C4'-P-C4' energy: -5.443
flat angles P-C4'-P energy: -10.997
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: 3, replica: 4
=====================================
Write number: 370
Temperature: 2.383333
Total energy: -43.835664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.835664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.835664 (E_RNA)
where:
Base-Base interactions energy: -7.705
where: short stacking energy: -5.812
Base-Backbone interact. energy: -0.217
local terms energy: -35.913703
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -3.921
tors. eta vs tors. theta energy: 6.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 370
Temperature: 2.400000
Total energy: -34.854437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.854437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.854437 (E_RNA)
where:
Base-Base interactions energy: -13.516
where: short stacking energy: -10.872
Base-Backbone interact. energy: -0.375
local terms energy: -20.964168
where:
bonds (distance) C4'-P energy: -2.736
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -5.848
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: 6.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 370
Temperature: 2.416667
Total energy: -37.647137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.647137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.647137 (E_RNA)
where:
Base-Base interactions energy: -3.120
where: short stacking energy: -3.120
Base-Backbone interact. energy: -0.783
local terms energy: -33.743564
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: 7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 370
Temperature: 2.433333
Total energy: -36.996922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.996922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.996922 (E_RNA)
where:
Base-Base interactions energy: -8.085
where: short stacking energy: -6.496
Base-Backbone interact. energy: -0.533
local terms energy: -28.378612
where:
bonds (distance) C4'-P energy: -5.301
bonds (distance) P-C4' energy: -7.552
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: 4.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 370
Temperature: 2.450000
Total energy: -34.479278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.479278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.479278 (E_RNA)
where:
Base-Base interactions energy: -7.632
where: short stacking energy: -5.637
Base-Backbone interact. energy: -0.285
local terms energy: -26.561361
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -8.046
flat angles C4'-P-C4' energy: -8.600
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: 6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 2.466667
Total energy: -34.815997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.815997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.815997 (E_RNA)
where:
Base-Base interactions energy: -6.381
where: short stacking energy: -6.014
Base-Backbone interact. energy: -0.149
local terms energy: -28.286153
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -4.877
flat angles P-C4'-P energy: -1.155
tors. eta vs tors. theta energy: 9.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 370
Temperature: 2.483333
Total energy: -37.613219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.613219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.613219 (E_RNA)
where:
Base-Base interactions energy: -3.788
where: short stacking energy: -3.788
Base-Backbone interact. energy: -0.140
local terms energy: -33.684961
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -8.310
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: 10.686
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: 9
=====================================
Write number: 370
Temperature: 2.500000
Total energy: -33.644771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.644771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.644771 (E_RNA)
where:
Base-Base interactions energy: -7.406
where: short stacking energy: -6.495
Base-Backbone interact. energy: 0.733
local terms energy: -26.971991
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: 0.007
tors. eta vs tors. theta energy: 8.870
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: 1, replica: 2
=====================================
Write number: 371
Temperature: 2.350000
Total energy: -33.371012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.371012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.371012 (E_RNA)
where:
Base-Base interactions energy: -8.774
where: short stacking energy: -8.699
Base-Backbone interact. energy: 0.521
local terms energy: -25.118206
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: 2.269
tors. eta vs tors. theta energy: 8.387
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: 4
=====================================
Write number: 371
Temperature: 2.366667
Total energy: -38.171827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.171827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.171827 (E_RNA)
where:
Base-Base interactions energy: -8.623
where: short stacking energy: -8.116
Base-Backbone interact. energy: -0.072
local terms energy: -29.476818
where:
bonds (distance) C4'-P energy: -2.145
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -5.371
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: 371
Temperature: 2.383333
Total energy: -39.556704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.556704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.556704 (E_RNA)
where:
Base-Base interactions energy: -10.837
where: short stacking energy: -6.923
Base-Backbone interact. energy: -0.277
local terms energy: -28.442579
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: 1.303
flat angles P-C4'-P energy: -7.799
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: 4, replica: 8
=====================================
Write number: 371
Temperature: 2.400000
Total energy: -41.562313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.562313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.562313 (E_RNA)
where:
Base-Base interactions energy: -5.750
where: short stacking energy: -4.188
Base-Backbone interact. energy: 0.159
local terms energy: -35.971386
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -2.924
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: 3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 2.416667
Total energy: -37.753469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.753469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.753469 (E_RNA)
where:
Base-Base interactions energy: -12.708
where: short stacking energy: -9.476
Base-Backbone interact. energy: 1.573
local terms energy: -26.618352
where:
bonds (distance) C4'-P energy: -6.561
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -3.541
flat angles P-C4'-P energy: -3.805
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: 6, replica: 3
=====================================
Write number: 371
Temperature: 2.433333
Total energy: -44.413292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.413292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.413292 (E_RNA)
where:
Base-Base interactions energy: -8.442
where: short stacking energy: -8.090
Base-Backbone interact. energy: 0.587
local terms energy: -36.558445
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -9.372
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -4.856
tors. eta vs tors. theta energy: 7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 371
Temperature: 2.450000
Total energy: -36.584078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.584078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.584078 (E_RNA)
where:
Base-Base interactions energy: -5.071
where: short stacking energy: -2.904
Base-Backbone interact. energy: -0.492
local terms energy: -31.021032
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -3.001
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: 6.496
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: 1
=====================================
Write number: 371
Temperature: 2.466667
Total energy: -38.531257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.531257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.531257 (E_RNA)
where:
Base-Base interactions energy: 0.944
where: short stacking energy: 1.600
Base-Backbone interact. energy: -0.505
local terms energy: -38.970774
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -2.835
tors. eta vs tors. theta energy: 3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 371
Temperature: 2.483333
Total energy: -38.339345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.339345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.339345 (E_RNA)
where:
Base-Base interactions energy: -2.857
where: short stacking energy: -2.857
Base-Backbone interact. energy: -0.016
local terms energy: -35.465725
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -7.427
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: 7.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 371
Temperature: 2.500000
Total energy: -38.284623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.284623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.284623 (E_RNA)
where:
Base-Base interactions energy: -10.753
where: short stacking energy: -6.189
Base-Backbone interact. energy: 5.440
local terms energy: -32.971683
where:
bonds (distance) C4'-P energy: -7.744
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: 6.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 372
Temperature: 2.350000
Total energy: -41.396653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.396653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.396653 (E_RNA)
where:
Base-Base interactions energy: -6.844
where: short stacking energy: -6.283
Base-Backbone interact. energy: -0.211
local terms energy: -34.341165
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -8.887
flat angles C4'-P-C4' energy: -8.309
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: 5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 2.366667
Total energy: -33.709543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.709543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.709543 (E_RNA)
where:
Base-Base interactions energy: -10.723
where: short stacking energy: -7.952
Base-Backbone interact. energy: 1.997
local terms energy: -24.983056
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -6.175
flat angles C4'-P-C4' energy: -6.183
flat angles P-C4'-P energy: -6.665
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: 8
=====================================
Write number: 372
Temperature: 2.383333
Total energy: -36.537042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.537042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.537042 (E_RNA)
where:
Base-Base interactions energy: -5.415
where: short stacking energy: -5.415
Base-Backbone interact. energy: -0.246
local terms energy: -30.876106
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -1.091
tors. eta vs tors. theta energy: 6.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 372
Temperature: 2.400000
Total energy: -35.051995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.051995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.051995 (E_RNA)
where:
Base-Base interactions energy: -6.663
where: short stacking energy: -2.326
Base-Backbone interact. energy: -0.283
local terms energy: -28.105875
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -2.418
tors. eta vs tors. theta energy: 6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 372
Temperature: 2.416667
Total energy: -39.538707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.538707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.538707 (E_RNA)
where:
Base-Base interactions energy: -7.968
where: short stacking energy: -7.531
Base-Backbone interact. energy: -0.121
local terms energy: -31.450386
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -1.514
tors. eta vs tors. theta energy: 6.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 372
Temperature: 2.433333
Total energy: -39.682046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.682046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.682046 (E_RNA)
where:
Base-Base interactions energy: -4.557
where: short stacking energy: -3.143
Base-Backbone interact. energy: 2.037
local terms energy: -37.162025
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -9.311
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: 6.981
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: 7, replica: 1
=====================================
Write number: 372
Temperature: 2.450000
Total energy: -35.422845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.422845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.422845 (E_RNA)
where:
Base-Base interactions energy: -4.938
where: short stacking energy: -2.388
Base-Backbone interact. energy: -1.210
local terms energy: -29.275233
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: 2.029
tors. eta vs tors. theta energy: 7.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 372
Temperature: 2.466667
Total energy: -40.107269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.107269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.107269 (E_RNA)
where:
Base-Base interactions energy: -13.184
where: short stacking energy: -13.184
Base-Backbone interact. energy: 1.801
local terms energy: -28.724136
where:
bonds (distance) C4'-P energy: -7.566
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -9.358
flat angles P-C4'-P energy: -2.861
tors. eta vs tors. theta energy: 6.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 372
Temperature: 2.483333
Total energy: -32.787371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.787371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.787371 (E_RNA)
where:
Base-Base interactions energy: -1.078
where: short stacking energy: -1.078
Base-Backbone interact. energy: -0.464
local terms energy: -31.244739
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -5.297
flat angles P-C4'-P energy: -5.513
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: 10, replica: 10
=====================================
Write number: 372
Temperature: 2.500000
Total energy: -35.903615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.903615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.903615 (E_RNA)
where:
Base-Base interactions energy: -1.283
where: short stacking energy: -1.047
Base-Backbone interact. energy: -1.277
local terms energy: -33.343841
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -6.553
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: 11.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 373
Temperature: 2.350000
Total energy: -33.757470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.757470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.757470 (E_RNA)
where:
Base-Base interactions energy: -1.090
where: short stacking energy: -1.090
Base-Backbone interact. energy: 1.996
local terms energy: -34.662763
where:
bonds (distance) C4'-P energy: -8.450
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: 6.860
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: 2, replica: 8
=====================================
Write number: 373
Temperature: 2.366667
Total energy: -41.186883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.186883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.186883 (E_RNA)
where:
Base-Base interactions energy: -6.648
where: short stacking energy: -6.377
Base-Backbone interact. energy: 0.751
local terms energy: -35.289750
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: 7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 373
Temperature: 2.383333
Total energy: -35.842186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.842186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.842186 (E_RNA)
where:
Base-Base interactions energy: -5.250
where: short stacking energy: -5.250
Base-Backbone interact. energy: 2.162
local terms energy: -32.753527
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: 0.858
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: 4, replica: 3
=====================================
Write number: 373
Temperature: 2.400000
Total energy: -39.848862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.848862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.848862 (E_RNA)
where:
Base-Base interactions energy: 0.421
where: short stacking energy: 0.421
Base-Backbone interact. energy: 1.673
local terms energy: -41.943065
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: 0.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 373
Temperature: 2.416667
Total energy: -40.487307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.487307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.487307 (E_RNA)
where:
Base-Base interactions energy: -5.507
where: short stacking energy: -5.507
Base-Backbone interact. energy: -0.716
local terms energy: -34.263573
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -7.874
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: 6.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 373
Temperature: 2.433333
Total energy: -53.928669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.928669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.928669 (E_RNA)
where:
Base-Base interactions energy: -13.500
where: short stacking energy: -13.500
Base-Backbone interact. energy: -0.236
local terms energy: -40.192430
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -8.238
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: 7, replica: 6
=====================================
Write number: 373
Temperature: 2.450000
Total energy: -36.744044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.744044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.744044 (E_RNA)
where:
Base-Base interactions energy: -11.221
where: short stacking energy: -6.971
Base-Backbone interact. energy: -0.613
local terms energy: -24.909848
where:
bonds (distance) C4'-P energy: -6.625
bonds (distance) P-C4' energy: -10.741
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: 8.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 373
Temperature: 2.466667
Total energy: -32.682154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.682154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.682154 (E_RNA)
where:
Base-Base interactions energy: -12.334
where: short stacking energy: -7.739
Base-Backbone interact. energy: 1.580
local terms energy: -21.928281
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -2.225
flat angles P-C4'-P energy: 0.084
tors. eta vs tors. theta energy: 7.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 2.483333
Total energy: -37.289433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.289433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.289433 (E_RNA)
where:
Base-Base interactions energy: -4.158
where: short stacking energy: -3.671
Base-Backbone interact. energy: -0.295
local terms energy: -32.836603
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -5.762
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: 7.739
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: 10
=====================================
Write number: 373
Temperature: 2.500000
Total energy: -39.867255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.867255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.867255 (E_RNA)
where:
Base-Base interactions energy: -8.979
where: short stacking energy: -8.599
Base-Backbone interact. energy: -0.169
local terms energy: -30.719400
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -7.740
flat angles C4'-P-C4' energy: -9.393
flat angles P-C4'-P energy: -2.614
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: 1, replica: 8
=====================================
Write number: 374
Temperature: 2.350000
Total energy: -48.644370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.644370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.644370 (E_RNA)
where:
Base-Base interactions energy: -8.971
where: short stacking energy: -6.917
Base-Backbone interact. energy: -0.041
local terms energy: -39.631532
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -6.620
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: 2, replica: 4
=====================================
Write number: 374
Temperature: 2.366667
Total energy: -41.303235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.303235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.303235 (E_RNA)
where:
Base-Base interactions energy: -10.299
where: short stacking energy: -7.597
Base-Backbone interact. energy: -0.307
local terms energy: -30.697189
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -18.743
flat angles C4'-P-C4' energy: -4.197
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: 9.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 374
Temperature: 2.383333
Total energy: -42.219499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.219499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.219499 (E_RNA)
where:
Base-Base interactions energy: -8.707
where: short stacking energy: -8.707
Base-Backbone interact. energy: 0.647
local terms energy: -34.160217
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: 9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 374
Temperature: 2.400000
Total energy: -40.709219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.709219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.709219 (E_RNA)
where:
Base-Base interactions energy: -15.125
where: short stacking energy: -15.125
Base-Backbone interact. energy: -0.069
local terms energy: -25.515995
where:
bonds (distance) C4'-P energy: -7.954
bonds (distance) P-C4' energy: -5.908
flat angles C4'-P-C4' energy: -8.847
flat angles P-C4'-P energy: -5.866
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: 5, replica: 1
=====================================
Write number: 374
Temperature: 2.416667
Total energy: -38.238842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.238842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.238842 (E_RNA)
where:
Base-Base interactions energy: -7.525
where: short stacking energy: -7.525
Base-Backbone interact. energy: -0.297
local terms energy: -30.416875
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -4.232
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: 7.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 374
Temperature: 2.433333
Total energy: -39.503123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.503123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.503123 (E_RNA)
where:
Base-Base interactions energy: -3.855
where: short stacking energy: -4.355
Base-Backbone interact. energy: 0.425
local terms energy: -36.073178
where:
bonds (distance) C4'-P energy: -6.523
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -8.270
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: 7, replica: 9
=====================================
Write number: 374
Temperature: 2.450000
Total energy: -39.126498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.126498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.126498 (E_RNA)
where:
Base-Base interactions energy: -9.774
where: short stacking energy: -8.053
Base-Backbone interact. energy: -0.329
local terms energy: -29.024072
where:
bonds (distance) C4'-P energy: -6.829
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -1.628
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: 8, replica: 6
=====================================
Write number: 374
Temperature: 2.466667
Total energy: -38.002638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.002638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.002638 (E_RNA)
where:
Base-Base interactions energy: -9.284
where: short stacking energy: -6.586
Base-Backbone interact. energy: -0.186
local terms energy: -28.532442
where:
bonds (distance) C4'-P energy: -8.664
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -3.035
tors. eta vs tors. theta energy: 7.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 374
Temperature: 2.483333
Total energy: -36.129288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.129288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.129288 (E_RNA)
where:
Base-Base interactions energy: -5.908
where: short stacking energy: -5.908
Base-Backbone interact. energy: 0.254
local terms energy: -30.475740
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -5.795
flat angles P-C4'-P energy: -9.376
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: 10, replica: 7
=====================================
Write number: 374
Temperature: 2.500000
Total energy: -36.912490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.912490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.912490 (E_RNA)
where:
Base-Base interactions energy: -12.598
where: short stacking energy: -11.013
Base-Backbone interact. energy: 1.475
local terms energy: -25.789362
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -4.183
flat angles P-C4'-P energy: -0.395
tors. eta vs tors. theta energy: 6.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 375
Temperature: 2.350000
Total energy: -36.413335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.413335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.413335 (E_RNA)
where:
Base-Base interactions energy: -5.380
where: short stacking energy: -4.337
Base-Backbone interact. energy: 0.194
local terms energy: -31.227695
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -6.345
flat angles P-C4'-P energy: -1.646
tors. eta vs tors. theta energy: 6.431
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: 3
=====================================
Write number: 375
Temperature: 2.366667
Total energy: -32.944294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.944294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.944294 (E_RNA)
where:
Base-Base interactions energy: -10.857
where: short stacking energy: -10.857
Base-Backbone interact. energy: 1.323
local terms energy: -23.409935
where:
bonds (distance) C4'-P energy: -6.815
bonds (distance) P-C4' energy: -9.872
flat angles C4'-P-C4' energy: -7.248
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: 5.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 2.383333
Total energy: -37.915861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.915861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.915861 (E_RNA)
where:
Base-Base interactions energy: -5.170
where: short stacking energy: -4.788
Base-Backbone interact. energy: -0.578
local terms energy: -32.168200
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -8.453
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: 9.048
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: 4, replica: 1
=====================================
Write number: 375
Temperature: 2.400000
Total energy: -38.192856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.192856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.192856 (E_RNA)
where:
Base-Base interactions energy: -1.196
where: short stacking energy: -0.027
Base-Backbone interact. energy: -1.406
local terms energy: -35.590821
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -7.749
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: 10.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 375
Temperature: 2.416667
Total energy: -41.554504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.554504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.554504 (E_RNA)
where:
Base-Base interactions energy: -6.222
where: short stacking energy: -5.508
Base-Backbone interact. energy: -0.136
local terms energy: -35.196456
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: 0.748
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: 6, replica: 9
=====================================
Write number: 375
Temperature: 2.433333
Total energy: -42.528724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.528724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.528724 (E_RNA)
where:
Base-Base interactions energy: -8.793
where: short stacking energy: -8.793
Base-Backbone interact. energy: 0.498
local terms energy: -34.234087
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: 9.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 375
Temperature: 2.450000
Total energy: -40.706515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.706515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.706515 (E_RNA)
where:
Base-Base interactions energy: -7.455
where: short stacking energy: -4.077
Base-Backbone interact. energy: 0.726
local terms energy: -33.977861
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -5.194
flat angles P-C4'-P energy: -1.836
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: 8, replica: 10
=====================================
Write number: 375
Temperature: 2.466667
Total energy: -31.844508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.844508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.844508 (E_RNA)
where:
Base-Base interactions energy: -0.790
where: short stacking energy: -0.612
Base-Backbone interact. energy: -0.466
local terms energy: -30.588147
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -2.214
tors. eta vs tors. theta energy: 14.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 2.483333
Total energy: -43.493220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.493220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.493220 (E_RNA)
where:
Base-Base interactions energy: -4.633
where: short stacking energy: -4.633
Base-Backbone interact. energy: 2.233
local terms energy: -41.093318
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: 8.315
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: 7
=====================================
Write number: 375
Temperature: 2.500000
Total energy: -38.181886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.181886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.181886 (E_RNA)
where:
Base-Base interactions energy: -7.011
where: short stacking energy: -6.630
Base-Backbone interact. energy: 0.357
local terms energy: -31.527007
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: 9.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 376
Temperature: 2.350000
Total energy: -41.766043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.766043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.766043 (E_RNA)
where:
Base-Base interactions energy: -10.351
where: short stacking energy: -10.346
Base-Backbone interact. energy: -1.027
local terms energy: -30.387609
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -4.622
flat angles C4'-P-C4' energy: -8.487
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: 5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 2.366667
Total energy: -41.606679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.606679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.606679 (E_RNA)
where:
Base-Base interactions energy: -11.228
where: short stacking energy: -6.935
Base-Backbone interact. energy: -0.952
local terms energy: -29.426668
where:
bonds (distance) C4'-P energy: -7.838
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -2.121
tors. eta vs tors. theta energy: 5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 376
Temperature: 2.383333
Total energy: -35.874177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.874177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.874177 (E_RNA)
where:
Base-Base interactions energy: -8.639
where: short stacking energy: -5.786
Base-Backbone interact. energy: 0.685
local terms energy: -27.920144
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -2.786
tors. eta vs tors. theta energy: 9.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 376
Temperature: 2.400000
Total energy: -35.504922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.504922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.504922 (E_RNA)
where:
Base-Base interactions energy: -13.130
where: short stacking energy: -10.845
Base-Backbone interact. energy: 1.869
local terms energy: -24.243821
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -7.729
flat angles P-C4'-P energy: 1.786
tors. eta vs tors. theta energy: 8.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 376
Temperature: 2.416667
Total energy: -40.667519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.667519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.667519 (E_RNA)
where:
Base-Base interactions energy: -1.653
where: short stacking energy: -1.124
Base-Backbone interact. energy: -0.622
local terms energy: -38.392129
where:
bonds (distance) C4'-P energy: -6.411
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -5.387
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: 6, replica: 2
=====================================
Write number: 376
Temperature: 2.433333
Total energy: -36.579745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.579745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.579745 (E_RNA)
where:
Base-Base interactions energy: -0.357
where: short stacking energy: -0.961
Base-Backbone interact. energy: -0.320
local terms energy: -35.902595
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -5.981
flat angles P-C4'-P energy: -1.822
tors. eta vs tors. theta energy: 4.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 376
Temperature: 2.450000
Total energy: -30.943434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.943434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.943434 (E_RNA)
where:
Base-Base interactions energy: -3.846
where: short stacking energy: -1.857
Base-Backbone interact. energy: 0.470
local terms energy: -27.566991
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -3.840
tors. eta vs tors. theta energy: 8.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 376
Temperature: 2.466667
Total energy: -34.902593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.902593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.902593 (E_RNA)
where:
Base-Base interactions energy: -14.354
where: short stacking energy: -11.585
Base-Backbone interact. energy: 2.074
local terms energy: -22.622186
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -9.029
flat angles P-C4'-P energy: -0.936
tors. eta vs tors. theta energy: 5.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 2.483333
Total energy: -32.943793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.943793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.943793 (E_RNA)
where:
Base-Base interactions energy: -5.200
where: short stacking energy: -3.331
Base-Backbone interact. energy: 2.318
local terms energy: -30.061779
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -6.646
flat angles P-C4'-P energy: -2.172
tors. eta vs tors. theta energy: 11.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 376
Temperature: 2.500000
Total energy: -35.426930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.426930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.426930 (E_RNA)
where:
Base-Base interactions energy: -2.770
where: short stacking energy: -2.731
Base-Backbone interact. energy: -0.150
local terms energy: -32.506677
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -3.268
tors. eta vs tors. theta energy: 10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 377
Temperature: 2.350000
Total energy: -41.126939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.126939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.126939 (E_RNA)
where:
Base-Base interactions energy: -11.435
where: short stacking energy: -9.671
Base-Backbone interact. energy: 0.153
local terms energy: -29.844469
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -7.750
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: 8.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 2.366667
Total energy: -40.485174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.485174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.485174 (E_RNA)
where:
Base-Base interactions energy: -7.318
where: short stacking energy: -7.262
Base-Backbone interact. energy: -0.449
local terms energy: -32.717697
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: 0.862
tors. eta vs tors. theta energy: 7.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 2.383333
Total energy: -35.117902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.117902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.117902 (E_RNA)
where:
Base-Base interactions energy: -6.694
where: short stacking energy: -6.666
Base-Backbone interact. energy: -0.262
local terms energy: -28.161522
where:
bonds (distance) C4'-P energy: -1.555
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -6.410
flat angles P-C4'-P energy: -9.715
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: 4, replica: 9
=====================================
Write number: 377
Temperature: 2.400000
Total energy: -36.118426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.118426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.118426 (E_RNA)
where:
Base-Base interactions energy: -17.345
where: short stacking energy: -16.071
Base-Backbone interact. energy: -0.363
local terms energy: -18.410468
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -7.511
flat angles P-C4'-P energy: 1.075
tors. eta vs tors. theta energy: 9.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 377
Temperature: 2.416667
Total energy: -47.795704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.795704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.795704 (E_RNA)
where:
Base-Base interactions energy: -8.923
where: short stacking energy: -8.081
Base-Backbone interact. energy: -0.467
local terms energy: -38.406082
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -3.718
tors. eta vs tors. theta energy: 6.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 2.433333
Total energy: -35.545671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.545671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.545671 (E_RNA)
where:
Base-Base interactions energy: -4.235
where: short stacking energy: -2.195
Base-Backbone interact. energy: 2.892
local terms energy: -34.202986
where:
bonds (distance) C4'-P energy: -4.304
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -11.676
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: 2
=====================================
Write number: 377
Temperature: 2.450000
Total energy: -41.620801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.620801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.620801 (E_RNA)
where:
Base-Base interactions energy: -4.892
where: short stacking energy: -4.589
Base-Backbone interact. energy: -0.367
local terms energy: -36.362141
where:
bonds (distance) C4'-P energy: -9.997
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -7.644
flat angles P-C4'-P energy: -6.029
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: 8, replica: 7
=====================================
Write number: 377
Temperature: 2.466667
Total energy: -37.295631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.295631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.295631 (E_RNA)
where:
Base-Base interactions energy: -6.562
where: short stacking energy: -6.562
Base-Backbone interact. energy: -0.249
local terms energy: -30.484711
where:
bonds (distance) C4'-P energy: -4.937
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: 6.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 377
Temperature: 2.483333
Total energy: -37.258787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.258787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.258787 (E_RNA)
where:
Base-Base interactions energy: -3.158
where: short stacking energy: -4.013
Base-Backbone interact. energy: -0.127
local terms energy: -33.973348
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -9.883
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -3.526
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: 10, replica: 6
=====================================
Write number: 377
Temperature: 2.500000
Total energy: -38.653702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.653702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.653702 (E_RNA)
where:
Base-Base interactions energy: -2.396
where: short stacking energy: -2.223
Base-Backbone interact. energy: 0.703
local terms energy: -36.961437
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: 12.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 378
Temperature: 2.350000
Total energy: -42.308608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.308608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.308608 (E_RNA)
where:
Base-Base interactions energy: -5.202
where: short stacking energy: -5.096
Base-Backbone interact. energy: 1.111
local terms energy: -38.217413
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -7.633
flat angles P-C4'-P energy: -2.176
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: 2, replica: 3
=====================================
Write number: 378
Temperature: 2.366667
Total energy: -37.129597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.129597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.129597 (E_RNA)
where:
Base-Base interactions energy: -1.364
where: short stacking energy: -1.364
Base-Backbone interact. energy: -0.287
local terms energy: -35.479144
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -3.205
tors. eta vs tors. theta energy: 6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 2.383333
Total energy: -39.078587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.078587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.078587 (E_RNA)
where:
Base-Base interactions energy: -5.776
where: short stacking energy: -3.872
Base-Backbone interact. energy: -0.203
local terms energy: -33.100008
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -3.459
tors. eta vs tors. theta energy: 6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 378
Temperature: 2.400000
Total energy: -36.474823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.474823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.474823 (E_RNA)
where:
Base-Base interactions energy: -3.904
where: short stacking energy: 0.306
Base-Backbone interact. energy: 0.854
local terms energy: -33.425202
where:
bonds (distance) C4'-P energy: -6.051
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: 7.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 378
Temperature: 2.416667
Total energy: -40.206056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.206056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.206056 (E_RNA)
where:
Base-Base interactions energy: -6.136
where: short stacking energy: -5.480
Base-Backbone interact. energy: -0.306
local terms energy: -33.763826
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -5.218
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: 6, replica: 4
=====================================
Write number: 378
Temperature: 2.433333
Total energy: -39.066684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.066684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.066684 (E_RNA)
where:
Base-Base interactions energy: -12.910
where: short stacking energy: -10.831
Base-Backbone interact. energy: -0.080
local terms energy: -26.077170
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -0.676
flat angles P-C4'-P energy: -1.130
tors. eta vs tors. theta energy: 1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 378
Temperature: 2.450000
Total energy: -33.963239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.963239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.963239 (E_RNA)
where:
Base-Base interactions energy: -1.196
where: short stacking energy: -1.196
Base-Backbone interact. energy: -0.161
local terms energy: -32.606381
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -5.753
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -10.626
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: 8, replica: 2
=====================================
Write number: 378
Temperature: 2.466667
Total energy: -33.339995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.339995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.339995 (E_RNA)
where:
Base-Base interactions energy: -6.136
where: short stacking energy: -4.586
Base-Backbone interact. energy: -0.717
local terms energy: -26.486947
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -7.770
flat angles P-C4'-P energy: -1.164
tors. eta vs tors. theta energy: 9.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 378
Temperature: 2.483333
Total energy: -34.564459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.564459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.564459 (E_RNA)
where:
Base-Base interactions energy: -9.077
where: short stacking energy: -9.077
Base-Backbone interact. energy: -0.159
local terms energy: -25.328307
where:
bonds (distance) C4'-P energy: -8.730
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -5.457
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: 8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 378
Temperature: 2.500000
Total energy: -44.982614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.982614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.982614 (E_RNA)
where:
Base-Base interactions energy: -6.019
where: short stacking energy: -5.307
Base-Backbone interact. energy: 0.418
local terms energy: -39.381700
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -19.810
flat angles C4'-P-C4' energy: -8.980
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: 6.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 379
Temperature: 2.350000
Total energy: -39.569002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.569002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.569002 (E_RNA)
where:
Base-Base interactions energy: -8.956
where: short stacking energy: -9.756
Base-Backbone interact. energy: 5.853
local terms energy: -36.466051
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: 7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 379
Temperature: 2.366667
Total energy: -40.493302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.493302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.493302 (E_RNA)
where:
Base-Base interactions energy: -9.221
where: short stacking energy: -6.912
Base-Backbone interact. energy: -0.235
local terms energy: -31.037338
where:
bonds (distance) C4'-P energy: -7.917
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -2.559
tors. eta vs tors. theta energy: 6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 379
Temperature: 2.383333
Total energy: -47.266797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.266797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.266797 (E_RNA)
where:
Base-Base interactions energy: -11.350
where: short stacking energy: -11.350
Base-Backbone interact. energy: -0.242
local terms energy: -35.674184
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -0.245
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: 6.917
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: 10
=====================================
Write number: 379
Temperature: 2.400000
Total energy: -32.184820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.184820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.184820 (E_RNA)
where:
Base-Base interactions energy: -4.154
where: short stacking energy: -3.915
Base-Backbone interact. energy: 1.486
local terms energy: -29.517114
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -10.027
flat angles C4'-P-C4' energy: -7.480
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: 12.173
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: 8
=====================================
Write number: 379
Temperature: 2.416667
Total energy: -36.184628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.184628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.184628 (E_RNA)
where:
Base-Base interactions energy: -6.258
where: short stacking energy: -4.108
Base-Backbone interact. energy: 2.387
local terms energy: -32.312861
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -1.114
tors. eta vs tors. theta energy: 8.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 379
Temperature: 2.433333
Total energy: -40.445340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.445340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.445340 (E_RNA)
where:
Base-Base interactions energy: -7.419
where: short stacking energy: -7.419
Base-Backbone interact. energy: 0.430
local terms energy: -33.456260
where:
bonds (distance) C4'-P energy: -8.465
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -8.893
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: 0.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 379
Temperature: 2.450000
Total energy: -39.272470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.272470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.272470 (E_RNA)
where:
Base-Base interactions energy: -7.978
where: short stacking energy: -7.059
Base-Backbone interact. energy: -0.448
local terms energy: -30.846852
where:
bonds (distance) C4'-P energy: -8.017
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -5.719
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: 5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 2.466667
Total energy: -40.397094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.397094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.397094 (E_RNA)
where:
Base-Base interactions energy: -6.450
where: short stacking energy: -4.700
Base-Backbone interact. energy: -0.489
local terms energy: -33.458398
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -7.134
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: 5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 379
Temperature: 2.483333
Total energy: -43.720749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.720749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.720749 (E_RNA)
where:
Base-Base interactions energy: -5.327
where: short stacking energy: -5.714
Base-Backbone interact. energy: -0.835
local terms energy: -37.559090
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -8.602
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: 10.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 379
Temperature: 2.500000
Total energy: -34.825425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.825425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.825425 (E_RNA)
where:
Base-Base interactions energy: -10.066
where: short stacking energy: -9.800
Base-Backbone interact. energy: -0.268
local terms energy: -24.491327
where:
bonds (distance) C4'-P energy: -6.603
bonds (distance) P-C4' energy: -8.823
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -0.113
tors. eta vs tors. theta energy: 3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 380
Temperature: 2.350000
Total energy: -42.670503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.670503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.670503 (E_RNA)
where:
Base-Base interactions energy: -9.771
where: short stacking energy: -9.771
Base-Backbone interact. energy: 0.733
local terms energy: -33.632669
where:
bonds (distance) C4'-P energy: -3.261
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: 6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 2.366667
Total energy: -42.589070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.589070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.589070 (E_RNA)
where:
Base-Base interactions energy: -5.789
where: short stacking energy: -3.452
Base-Backbone interact. energy: -0.239
local terms energy: -36.561181
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -9.782
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -4.746
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: 3, replica: 10
=====================================
Write number: 380
Temperature: 2.383333
Total energy: -41.004656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.004656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.004656 (E_RNA)
where:
Base-Base interactions energy: -2.868
where: short stacking energy: -2.103
Base-Backbone interact. energy: 2.437
local terms energy: -40.572925
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -0.641
tors. eta vs tors. theta energy: 5.709
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: 4, replica: 3
=====================================
Write number: 380
Temperature: 2.400000
Total energy: -36.728083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.728083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.728083 (E_RNA)
where:
Base-Base interactions energy: -7.788
where: short stacking energy: -6.265
Base-Backbone interact. energy: 0.483
local terms energy: -29.422714
where:
bonds (distance) C4'-P energy: -6.741
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -2.009
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: 5, replica: 7
=====================================
Write number: 380
Temperature: 2.416667
Total energy: -44.752010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.752010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.752010 (E_RNA)
where:
Base-Base interactions energy: -14.015
where: short stacking energy: -12.169
Base-Backbone interact. energy: 0.915
local terms energy: -31.651450
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -6.668
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: 5.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 380
Temperature: 2.433333
Total energy: -40.129537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.129537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.129537 (E_RNA)
where:
Base-Base interactions energy: -11.553
where: short stacking energy: -10.302
Base-Backbone interact. energy: -0.540
local terms energy: -28.036750
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -8.886
flat angles P-C4'-P energy: -1.208
tors. eta vs tors. theta energy: 2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 2.450000
Total energy: -36.487974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.487974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.487974 (E_RNA)
where:
Base-Base interactions energy: -11.095
where: short stacking energy: -7.944
Base-Backbone interact. energy: -0.342
local terms energy: -25.051257
where:
bonds (distance) C4'-P energy: -5.090
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -3.679
tors. eta vs tors. theta energy: 6.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 2.466667
Total energy: -33.669090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.669090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.669090 (E_RNA)
where:
Base-Base interactions energy: -9.994
where: short stacking energy: -8.237
Base-Backbone interact. energy: 1.458
local terms energy: -25.133167
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -4.668
flat angles P-C4'-P energy: 0.254
tors. eta vs tors. theta energy: 6.338
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: 2
=====================================
Write number: 380
Temperature: 2.483333
Total energy: -38.406369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.406369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.406369 (E_RNA)
where:
Base-Base interactions energy: -12.641
where: short stacking energy: -12.621
Base-Backbone interact. energy: -0.316
local terms energy: -25.450275
where:
bonds (distance) C4'-P energy: -8.234
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -3.982
flat angles P-C4'-P energy: -0.341
tors. eta vs tors. theta energy: 5.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 380
Temperature: 2.500000
Total energy: -35.033138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.033138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.033138 (E_RNA)
where:
Base-Base interactions energy: -12.751
where: short stacking energy: -13.751
Base-Backbone interact. energy: 2.732
local terms energy: -25.014159
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -5.576
flat angles P-C4'-P energy: 0.015
tors. eta vs tors. theta energy: 8.561
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: 9
=====================================
Write number: 381
Temperature: 2.350000
Total energy: -39.241051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.241051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.241051 (E_RNA)
where:
Base-Base interactions energy: -5.351
where: short stacking energy: -1.850
Base-Backbone interact. energy: -0.108
local terms energy: -33.782355
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -3.173
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: 10
=====================================
Write number: 381
Temperature: 2.366667
Total energy: -37.854639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.854639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.854639 (E_RNA)
where:
Base-Base interactions energy: -10.633
where: short stacking energy: -8.416
Base-Backbone interact. energy: 1.453
local terms energy: -28.674636
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -9.762
flat angles P-C4'-P energy: -3.023
tors. eta vs tors. theta energy: 8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 381
Temperature: 2.383333
Total energy: -42.121321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.121321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.121321 (E_RNA)
where:
Base-Base interactions energy: -8.526
where: short stacking energy: -9.984
Base-Backbone interact. energy: 1.423
local terms energy: -35.018669
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -7.264
flat angles C4'-P-C4' energy: -6.980
flat angles P-C4'-P energy: -8.414
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: 4, replica: 7
=====================================
Write number: 381
Temperature: 2.400000
Total energy: -38.135879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.135879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.135879 (E_RNA)
where:
Base-Base interactions energy: -4.508
where: short stacking energy: -2.348
Base-Backbone interact. energy: -0.410
local terms energy: -33.218286
where:
bonds (distance) C4'-P energy: -8.895
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -6.086
flat angles P-C4'-P energy: -5.701
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: 5, replica: 3
=====================================
Write number: 381
Temperature: 2.416667
Total energy: -37.312561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.312561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.312561 (E_RNA)
where:
Base-Base interactions energy: -3.897
where: short stacking energy: -2.253
Base-Backbone interact. energy: -0.257
local terms energy: -33.158993
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -8.365
flat angles P-C4'-P energy: -5.585
tors. eta vs tors. theta energy: 7.849
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: 6
=====================================
Write number: 381
Temperature: 2.433333
Total energy: -32.975355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.975355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.975355 (E_RNA)
where:
Base-Base interactions energy: -0.662
where: short stacking energy: -2.965
Base-Backbone interact. energy: -0.409
local terms energy: -31.904887
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: 8.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 381
Temperature: 2.450000
Total energy: -33.999499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.999499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.999499 (E_RNA)
where:
Base-Base interactions energy: -8.795
where: short stacking energy: -8.964
Base-Backbone interact. energy: 1.491
local terms energy: -26.695264
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -0.923
tors. eta vs tors. theta energy: 8.004
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: 2
=====================================
Write number: 381
Temperature: 2.466667
Total energy: -35.652576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.652576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.652576 (E_RNA)
where:
Base-Base interactions energy: -13.617
where: short stacking energy: -13.617
Base-Backbone interact. energy: 0.629
local terms energy: -22.665381
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -7.519
flat angles C4'-P-C4' energy: -3.983
flat angles P-C4'-P energy: -4.062
tors. eta vs tors. theta energy: 6.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 381
Temperature: 2.483333
Total energy: -41.132456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.132456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.132456 (E_RNA)
where:
Base-Base interactions energy: -5.348
where: short stacking energy: -4.323
Base-Backbone interact. energy: -0.070
local terms energy: -35.715002
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -8.602
flat angles P-C4'-P energy: -3.218
tors. eta vs tors. theta energy: 5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 381
Temperature: 2.500000
Total energy: -41.238944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.238944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.238944 (E_RNA)
where:
Base-Base interactions energy: -12.075
where: short stacking energy: -10.795
Base-Backbone interact. energy: 1.943
local terms energy: -31.107427
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -4.303
flat angles P-C4'-P energy: -1.211
tors. eta vs tors. theta energy: 4.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 382
Temperature: 2.350000
Total energy: -36.864727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.864727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.864727 (E_RNA)
where:
Base-Base interactions energy: -13.737
where: short stacking energy: -9.892
Base-Backbone interact. energy: 2.741
local terms energy: -25.868420
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -2.844
flat angles C4'-P-C4' energy: -8.127
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: 6.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 382
Temperature: 2.366667
Total energy: -40.257965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.257965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.257965 (E_RNA)
where:
Base-Base interactions energy: -12.162
where: short stacking energy: -12.162
Base-Backbone interact. energy: -0.241
local terms energy: -27.854292
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -8.193
flat angles C4'-P-C4' energy: -8.473
flat angles P-C4'-P energy: -2.002
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: 3, replica: 7
=====================================
Write number: 382
Temperature: 2.383333
Total energy: -39.475226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.475226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.475226 (E_RNA)
where:
Base-Base interactions energy: -10.559
where: short stacking energy: -8.278
Base-Backbone interact. energy: 0.623
local terms energy: -29.538990
where:
bonds (distance) C4'-P energy: -2.060
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -6.239
flat angles P-C4'-P energy: -9.357
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: 1
=====================================
Write number: 382
Temperature: 2.400000
Total energy: -43.386471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.386471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.386471 (E_RNA)
where:
Base-Base interactions energy: -19.331
where: short stacking energy: -12.422
Base-Backbone interact. energy: 1.807
local terms energy: -25.862714
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -3.052
flat angles C4'-P-C4' energy: -9.984
flat angles P-C4'-P energy: -4.914
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: 5, replica: 6
=====================================
Write number: 382
Temperature: 2.416667
Total energy: -40.223382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.223382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.223382 (E_RNA)
where:
Base-Base interactions energy: -9.023
where: short stacking energy: -6.847
Base-Backbone interact. energy: 3.918
local terms energy: -35.118102
where:
bonds (distance) C4'-P energy: -7.928
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: 5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 382
Temperature: 2.433333
Total energy: -43.434425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.434425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.434425 (E_RNA)
where:
Base-Base interactions energy: -5.876
where: short stacking energy: -5.876
Base-Backbone interact. energy: 0.149
local terms energy: -37.707584
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -8.850
flat angles C4'-P-C4' energy: -7.974
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: 2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 382
Temperature: 2.450000
Total energy: -41.038741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.038741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.038741 (E_RNA)
where:
Base-Base interactions energy: -16.283
where: short stacking energy: -14.054
Base-Backbone interact. energy: 2.365
local terms energy: -27.119787
where:
bonds (distance) C4'-P energy: -7.648
bonds (distance) P-C4' energy: -9.462
flat angles C4'-P-C4' energy: -2.185
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: 1.477
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: 382
Temperature: 2.466667
Total energy: -33.643888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.643888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.643888 (E_RNA)
where:
Base-Base interactions energy: -11.487
where: short stacking energy: -7.485
Base-Backbone interact. energy: -0.422
local terms energy: -21.735602
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -2.573
flat angles P-C4'-P energy: 4.462
tors. eta vs tors. theta energy: 10.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 382
Temperature: 2.483333
Total energy: -31.782748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.782748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.782748 (E_RNA)
where:
Base-Base interactions energy: -8.609
where: short stacking energy: -8.562
Base-Backbone interact. energy: 0.948
local terms energy: -24.121419
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -4.242
flat angles C4'-P-C4' energy: -1.709
flat angles P-C4'-P energy: -6.626
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: 10, replica: 4
=====================================
Write number: 382
Temperature: 2.500000
Total energy: -38.186612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.186612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.186612 (E_RNA)
where:
Base-Base interactions energy: -7.071
where: short stacking energy: -7.215
Base-Backbone interact. energy: -1.476
local terms energy: -29.640116
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -9.339
flat angles C4'-P-C4' energy: -4.583
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: 2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 383
Temperature: 2.350000
Total energy: -40.807069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.807069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.807069 (E_RNA)
where:
Base-Base interactions energy: -2.353
where: short stacking energy: -1.920
Base-Backbone interact. energy: -0.220
local terms energy: -38.234011
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -6.332
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: 4.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 2.366667
Total energy: -42.764870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.764870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.764870 (E_RNA)
where:
Base-Base interactions energy: -10.432
where: short stacking energy: -8.666
Base-Backbone interact. energy: -0.122
local terms energy: -32.211405
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -10.518
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -2.896
tors. eta vs tors. theta energy: 9.302
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: 9
=====================================
Write number: 383
Temperature: 2.383333
Total energy: -34.745295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.745295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.745295 (E_RNA)
where:
Base-Base interactions energy: -11.534
where: short stacking energy: -7.754
Base-Backbone interact. energy: -1.358
local terms energy: -21.853286
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -8.864
flat angles C4'-P-C4' energy: 3.210
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: 1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 383
Temperature: 2.400000
Total energy: -39.148501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.148501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.148501 (E_RNA)
where:
Base-Base interactions energy: -8.513
where: short stacking energy: -8.127
Base-Backbone interact. energy: -0.185
local terms energy: -30.450490
where:
bonds (distance) C4'-P energy: -7.827
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -0.972
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: 5, replica: 1
=====================================
Write number: 383
Temperature: 2.416667
Total energy: -41.161435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.161435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.161435 (E_RNA)
where:
Base-Base interactions energy: -4.988
where: short stacking energy: -2.055
Base-Backbone interact. energy: -0.207
local terms energy: -35.966317
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -7.467
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -8.925
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: 6, replica: 2
=====================================
Write number: 383
Temperature: 2.433333
Total energy: -37.369852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.369852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.369852 (E_RNA)
where:
Base-Base interactions energy: -13.183
where: short stacking energy: -12.694
Base-Backbone interact. energy: 0.495
local terms energy: -24.681364
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -4.751
flat angles P-C4'-P energy: -5.090
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: 7, replica: 3
=====================================
Write number: 383
Temperature: 2.450000
Total energy: -46.877321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.877321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.877321 (E_RNA)
where:
Base-Base interactions energy: -8.102
where: short stacking energy: -8.086
Base-Backbone interact. energy: -0.430
local terms energy: -38.346155
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: 9.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 383
Temperature: 2.466667
Total energy: -32.125486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.125486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.125486 (E_RNA)
where:
Base-Base interactions energy: -9.201
where: short stacking energy: -9.201
Base-Backbone interact. energy: -0.321
local terms energy: -22.603885
where:
bonds (distance) C4'-P energy: -7.103
bonds (distance) P-C4' energy: -10.990
flat angles C4'-P-C4' energy: -8.656
flat angles P-C4'-P energy: -2.109
tors. eta vs tors. theta energy: 6.254
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: 8
=====================================
Write number: 383
Temperature: 2.483333
Total energy: -34.748867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.748867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.748867 (E_RNA)
where:
Base-Base interactions energy: -2.578
where: short stacking energy: -2.610
Base-Backbone interact. energy: 0.553
local terms energy: -32.723527
where:
bonds (distance) C4'-P energy: -7.809
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -5.479
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: 9.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 383
Temperature: 2.500000
Total energy: -37.903053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.903053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.903053 (E_RNA)
where:
Base-Base interactions energy: -8.179
where: short stacking energy: -5.706
Base-Backbone interact. energy: 2.201
local terms energy: -31.925720
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -6.473
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: 9.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 384
Temperature: 2.350000
Total energy: -39.864906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.864906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.864906 (E_RNA)
where:
Base-Base interactions energy: -5.205
where: short stacking energy: -3.106
Base-Backbone interact. energy: 0.450
local terms energy: -35.109828
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -6.862
flat angles P-C4'-P energy: -7.836
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: 2, replica: 10
=====================================
Write number: 384
Temperature: 2.366667
Total energy: -40.416928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.416928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.416928 (E_RNA)
where:
Base-Base interactions energy: -5.790
where: short stacking energy: -5.314
Base-Backbone interact. energy: -0.148
local terms energy: -34.478564
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -7.989
flat angles P-C4'-P energy: -8.429
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: 6
=====================================
Write number: 384
Temperature: 2.383333
Total energy: -40.303378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.303378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.303378 (E_RNA)
where:
Base-Base interactions energy: -4.936
where: short stacking energy: -3.188
Base-Backbone interact. energy: 0.292
local terms energy: -35.659023
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -5.486
flat angles P-C4'-P energy: -3.784
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: 4, replica: 9
=====================================
Write number: 384
Temperature: 2.400000
Total energy: -36.602579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.602579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.602579 (E_RNA)
where:
Base-Base interactions energy: -5.483
where: short stacking energy: -4.659
Base-Backbone interact. energy: 0.149
local terms energy: -31.268563
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -4.672
tors. eta vs tors. theta energy: 10.215
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: 2
=====================================
Write number: 384
Temperature: 2.416667
Total energy: -42.854734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.854734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.854734 (E_RNA)
where:
Base-Base interactions energy: -4.679
where: short stacking energy: -4.679
Base-Backbone interact. energy: -0.157
local terms energy: -38.018838
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -9.094
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -0.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 384
Temperature: 2.433333
Total energy: -38.609791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.609791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.609791 (E_RNA)
where:
Base-Base interactions energy: -4.008
where: short stacking energy: -3.675
Base-Backbone interact. energy: -0.074
local terms energy: -34.527632
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -8.489
flat angles C4'-P-C4' energy: -9.021
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: 11.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 384
Temperature: 2.450000
Total energy: -34.356204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.356204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.356204 (E_RNA)
where:
Base-Base interactions energy: -7.241
where: short stacking energy: -6.918
Base-Backbone interact. energy: -0.286
local terms energy: -26.829758
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -10.923
flat angles C4'-P-C4' energy: -6.172
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: 5.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 384
Temperature: 2.466667
Total energy: -44.860382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.860382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.860382 (E_RNA)
where:
Base-Base interactions energy: -11.557
where: short stacking energy: -10.004
Base-Backbone interact. energy: 0.383
local terms energy: -33.685525
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -5.879
flat angles P-C4'-P energy: -2.916
tors. eta vs tors. theta energy: 6.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 384
Temperature: 2.483333
Total energy: -40.800077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.800077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.800077 (E_RNA)
where:
Base-Base interactions energy: -12.557
where: short stacking energy: -12.657
Base-Backbone interact. energy: -0.251
local terms energy: -27.992589
where:
bonds (distance) C4'-P energy: -6.134
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -0.512
tors. eta vs tors. theta energy: 2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 384
Temperature: 2.500000
Total energy: -38.408604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.408604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.408604 (E_RNA)
where:
Base-Base interactions energy: -5.891
where: short stacking energy: -4.244
Base-Backbone interact. energy: -0.336
local terms energy: -32.181607
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -8.105
flat angles P-C4'-P energy: -0.253
tors. eta vs tors. theta energy: 1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 385
Temperature: 2.350000
Total energy: -38.673069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.673069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.673069 (E_RNA)
where:
Base-Base interactions energy: -12.284
where: short stacking energy: -12.284
Base-Backbone interact. energy: -0.242
local terms energy: -26.146998
where:
bonds (distance) C4'-P energy: -1.317
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: 6.314
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: 6
=====================================
Write number: 385
Temperature: 2.366667
Total energy: -42.205576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.205576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.205576 (E_RNA)
where:
Base-Base interactions energy: -7.994
where: short stacking energy: -8.994
Base-Backbone interact. energy: -0.299
local terms energy: -33.912213
where:
bonds (distance) C4'-P energy: -7.098
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -2.155
tors. eta vs tors. theta energy: 2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 385
Temperature: 2.383333
Total energy: -34.575168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.575168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.575168 (E_RNA)
where:
Base-Base interactions energy: -4.483
where: short stacking energy: -3.638
Base-Backbone interact. energy: 1.433
local terms energy: -31.525159
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -9.451
flat angles P-C4'-P energy: -7.258
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: 4, replica: 2
=====================================
Write number: 385
Temperature: 2.400000
Total energy: -45.253971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.253971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.253971 (E_RNA)
where:
Base-Base interactions energy: -8.561
where: short stacking energy: -8.185
Base-Backbone interact. energy: -0.188
local terms energy: -36.504838
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -7.742
flat angles P-C4'-P energy: -5.736
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: 5, replica: 9
=====================================
Write number: 385
Temperature: 2.416667
Total energy: -41.861742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.861742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.861742 (E_RNA)
where:
Base-Base interactions energy: -6.049
where: short stacking energy: -2.361
Base-Backbone interact. energy: -0.232
local terms energy: -35.580801
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -7.950
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: 7.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 2.433333
Total energy: -38.471255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.471255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.471255 (E_RNA)
where:
Base-Base interactions energy: -17.593
where: short stacking energy: -17.224
Base-Backbone interact. energy: -0.159
local terms energy: -20.719082
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -6.469
flat angles P-C4'-P energy: 1.868
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: 1
=====================================
Write number: 385
Temperature: 2.450000
Total energy: -30.687880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.687880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.687880 (E_RNA)
where:
Base-Base interactions energy: -3.720
where: short stacking energy: -4.920
Base-Backbone interact. energy: 1.526
local terms energy: -28.494414
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -3.540
tors. eta vs tors. theta energy: 11.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 385
Temperature: 2.466667
Total energy: -40.510325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.510325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.510325 (E_RNA)
where:
Base-Base interactions energy: -7.146
where: short stacking energy: -7.346
Base-Backbone interact. energy: 3.144
local terms energy: -36.508186
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -8.509
flat angles P-C4'-P energy: -5.095
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: 9, replica: 3
=====================================
Write number: 385
Temperature: 2.483333
Total energy: -32.316162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.316162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.316162 (E_RNA)
where:
Base-Base interactions energy: -4.325
where: short stacking energy: -3.516
Base-Backbone interact. energy: 0.065
local terms energy: -28.056073
where:
bonds (distance) C4'-P energy: -8.484
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -8.620
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: 5.588
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: 8
=====================================
Write number: 385
Temperature: 2.500000
Total energy: -38.359931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.359931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.359931 (E_RNA)
where:
Base-Base interactions energy: -11.664
where: short stacking energy: -8.958
Base-Backbone interact. energy: -0.228
local terms energy: -26.468267
where:
bonds (distance) C4'-P energy: -7.757
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -7.414
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: 8.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 386
Temperature: 2.350000
Total energy: -39.836361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.836361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.836361 (E_RNA)
where:
Base-Base interactions energy: -4.600
where: short stacking energy: -4.600
Base-Backbone interact. energy: -0.325
local terms energy: -34.911671
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -6.310
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: 7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 386
Temperature: 2.366667
Total energy: -35.466413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.466413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.466413 (E_RNA)
where:
Base-Base interactions energy: -5.769
where: short stacking energy: -3.819
Base-Backbone interact. energy: -1.999
local terms energy: -27.698853
where:
bonds (distance) C4'-P energy: -7.417
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -9.173
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: 11.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 386
Temperature: 2.383333
Total energy: -43.893308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.893308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.893308 (E_RNA)
where:
Base-Base interactions energy: -4.780
where: short stacking energy: -4.566
Base-Backbone interact. energy: -0.814
local terms energy: -38.298656
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -8.376
flat angles P-C4'-P energy: -3.457
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: 4, replica: 10
=====================================
Write number: 386
Temperature: 2.400000
Total energy: -40.678481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.678481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.678481 (E_RNA)
where:
Base-Base interactions energy: -9.128
where: short stacking energy: -6.553
Base-Backbone interact. energy: -0.413
local terms energy: -31.137858
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: 7.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 2.416667
Total energy: -35.960464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.960464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.960464 (E_RNA)
where:
Base-Base interactions energy: -3.167
where: short stacking energy: -3.167
Base-Backbone interact. energy: -0.131
local terms energy: -32.662492
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: 9.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 386
Temperature: 2.433333
Total energy: -40.319618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.319618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.319618 (E_RNA)
where:
Base-Base interactions energy: -12.151
where: short stacking energy: -9.296
Base-Backbone interact. energy: -0.372
local terms energy: -27.796175
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -2.430
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: 9.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 386
Temperature: 2.450000
Total energy: -39.779629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.779629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.779629 (E_RNA)
where:
Base-Base interactions energy: -4.771
where: short stacking energy: -3.246
Base-Backbone interact. energy: -0.892
local terms energy: -34.116570
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -7.498
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -2.685
tors. eta vs tors. theta energy: 3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 386
Temperature: 2.466667
Total energy: -38.822133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.822133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.822133 (E_RNA)
where:
Base-Base interactions energy: -14.354
where: short stacking energy: -14.354
Base-Backbone interact. energy: -0.089
local terms energy: -24.379716
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: 12.006
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: 9, replica: 8
=====================================
Write number: 386
Temperature: 2.483333
Total energy: -36.035228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.035228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.035228 (E_RNA)
where:
Base-Base interactions energy: -5.419
where: short stacking energy: -3.282
Base-Backbone interact. energy: 0.246
local terms energy: -30.862481
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -4.751
flat angles C4'-P-C4' energy: -8.071
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: 9.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 2.500000
Total energy: -42.510998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.510998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.510998 (E_RNA)
where:
Base-Base interactions energy: -3.562
where: short stacking energy: -4.464
Base-Backbone interact. energy: 1.572
local terms energy: -40.521396
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: 7.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 387
Temperature: 2.350000
Total energy: -41.510735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.510735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.510735 (E_RNA)
where:
Base-Base interactions energy: -11.184
where: short stacking energy: -10.669
Base-Backbone interact. energy: 2.750
local terms energy: -33.077087
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -3.746
flat angles P-C4'-P energy: -5.718
tors. eta vs tors. theta energy: 6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 387
Temperature: 2.366667
Total energy: -45.733191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.733191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.733191 (E_RNA)
where:
Base-Base interactions energy: -15.790
where: short stacking energy: -15.790
Base-Backbone interact. energy: -0.124
local terms energy: -29.818642
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -8.400
flat angles P-C4'-P energy: -3.385
tors. eta vs tors. theta energy: 1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 387
Temperature: 2.383333
Total energy: -37.862848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.862848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.862848 (E_RNA)
where:
Base-Base interactions energy: 5.733
where: short stacking energy: 5.797
Base-Backbone interact. energy: -0.247
local terms energy: -43.348896
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -8.469
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: 5.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 387
Temperature: 2.400000
Total energy: -40.626552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.626552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.626552 (E_RNA)
where:
Base-Base interactions energy: -5.212
where: short stacking energy: -5.212
Base-Backbone interact. energy: -0.309
local terms energy: -35.105825
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -1.443
tors. eta vs tors. theta energy: 8.930
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: 10
=====================================
Write number: 387
Temperature: 2.416667
Total energy: -38.569842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.569842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.569842 (E_RNA)
where:
Base-Base interactions energy: -9.026
where: short stacking energy: -8.913
Base-Backbone interact. energy: 2.643
local terms energy: -32.186585
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -7.010
flat angles P-C4'-P energy: -4.862
tors. eta vs tors. theta energy: 7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 387
Temperature: 2.433333
Total energy: -38.472104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.472104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.472104 (E_RNA)
where:
Base-Base interactions energy: -2.853
where: short stacking energy: -0.081
Base-Backbone interact. energy: -0.220
local terms energy: -35.398842
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -3.821
tors. eta vs tors. theta energy: 10.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 387
Temperature: 2.450000
Total energy: -35.842733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.842733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.842733 (E_RNA)
where:
Base-Base interactions energy: -10.061
where: short stacking energy: -9.805
Base-Backbone interact. energy: -0.107
local terms energy: -25.674353
where:
bonds (distance) C4'-P energy: -8.171
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -3.166
flat angles P-C4'-P energy: -5.847
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: 8
=====================================
Write number: 387
Temperature: 2.466667
Total energy: -35.168107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.168107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.168107 (E_RNA)
where:
Base-Base interactions energy: -4.176
where: short stacking energy: -0.768
Base-Backbone interact. energy: -0.417
local terms energy: -30.574716
where:
bonds (distance) C4'-P energy: -7.443
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -2.682
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: 1
=====================================
Write number: 387
Temperature: 2.483333
Total energy: -33.005352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.005352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.005352 (E_RNA)
where:
Base-Base interactions energy: -4.444
where: short stacking energy: -2.220
Base-Backbone interact. energy: -0.347
local terms energy: -28.214103
where:
bonds (distance) C4'-P energy: -5.598
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -2.956
tors. eta vs tors. theta energy: 6.217
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: 3
=====================================
Write number: 387
Temperature: 2.500000
Total energy: -34.968389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.968389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.968389 (E_RNA)
where:
Base-Base interactions energy: -4.741
where: short stacking energy: -3.481
Base-Backbone interact. energy: -0.343
local terms energy: -29.884271
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: 8.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 2.350000
Total energy: -42.188600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.188600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.188600 (E_RNA)
where:
Base-Base interactions energy: -14.126
where: short stacking energy: -12.719
Base-Backbone interact. energy: -0.314
local terms energy: -27.748423
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -7.839
flat angles C4'-P-C4' energy: -7.742
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: 3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 388
Temperature: 2.366667
Total energy: -39.863940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.863940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.863940 (E_RNA)
where:
Base-Base interactions energy: -0.789
where: short stacking energy: -0.029
Base-Backbone interact. energy: -0.323
local terms energy: -38.752164
where:
bonds (distance) C4'-P energy: -4.154
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: 11.134
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: 5
=====================================
Write number: 388
Temperature: 2.383333
Total energy: -35.114378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.114378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.114378 (E_RNA)
where:
Base-Base interactions energy: -8.328
where: short stacking energy: -2.836
Base-Backbone interact. energy: -0.161
local terms energy: -26.626048
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -7.727
flat angles C4'-P-C4' energy: -7.869
flat angles P-C4'-P energy: -4.407
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: 4, replica: 7
=====================================
Write number: 388
Temperature: 2.400000
Total energy: -42.831570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.831570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.831570 (E_RNA)
where:
Base-Base interactions energy: -6.004
where: short stacking energy: -3.605
Base-Backbone interact. energy: -0.242
local terms energy: -36.585384
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -4.532
tors. eta vs tors. theta energy: 6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 388
Temperature: 2.416667
Total energy: -49.204515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.204515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.204515 (E_RNA)
where:
Base-Base interactions energy: -7.893
where: short stacking energy: -6.712
Base-Backbone interact. energy: -0.408
local terms energy: -40.903794
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: 6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 388
Temperature: 2.433333
Total energy: -41.046485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.046485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.046485 (E_RNA)
where:
Base-Base interactions energy: -7.203
where: short stacking energy: -3.262
Base-Backbone interact. energy: 0.518
local terms energy: -34.360719
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -9.688
flat angles C4'-P-C4' energy: -6.423
flat angles P-C4'-P energy: -8.415
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: 7, replica: 8
=====================================
Write number: 388
Temperature: 2.450000
Total energy: -35.104606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.104606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.104606 (E_RNA)
where:
Base-Base interactions energy: -11.190
where: short stacking energy: -11.815
Base-Backbone interact. energy: -0.311
local terms energy: -23.602855
where:
bonds (distance) C4'-P energy: -8.399
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -6.506
flat angles P-C4'-P energy: -0.376
tors. eta vs tors. theta energy: 6.620
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: 9
=====================================
Write number: 388
Temperature: 2.466667
Total energy: -36.502539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.502539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.502539 (E_RNA)
where:
Base-Base interactions energy: -9.840
where: short stacking energy: -9.713
Base-Backbone interact. energy: -0.838
local terms energy: -25.824315
where:
bonds (distance) C4'-P energy: -8.765
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -7.564
flat angles P-C4'-P energy: -2.337
tors. eta vs tors. theta energy: 6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 388
Temperature: 2.483333
Total energy: -41.808284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.808284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.808284 (E_RNA)
where:
Base-Base interactions energy: -10.897
where: short stacking energy: -8.636
Base-Backbone interact. energy: -0.048
local terms energy: -30.863307
where:
bonds (distance) C4'-P energy: -5.412
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: 4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 388
Temperature: 2.500000
Total energy: -33.419916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.419916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.419916 (E_RNA)
where:
Base-Base interactions energy: -5.211
where: short stacking energy: -5.211
Base-Backbone interact. energy: -0.119
local terms energy: -28.089847
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -9.752
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -4.215
tors. eta vs tors. theta energy: 7.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 2.350000
Total energy: -50.237366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.237366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.237366 (E_RNA)
where:
Base-Base interactions energy: -13.663
where: short stacking energy: -13.663
Base-Backbone interact. energy: 0.718
local terms energy: -37.292995
where:
bonds (distance) C4'-P energy: -8.684
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -3.273
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: 389
Temperature: 2.366667
Total energy: -41.951823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.951823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.951823 (E_RNA)
where:
Base-Base interactions energy: -8.318
where: short stacking energy: -4.034
Base-Backbone interact. energy: -0.361
local terms energy: -33.272765
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -6.667
flat angles P-C4'-P energy: -2.125
tors. eta vs tors. theta energy: 1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 389
Temperature: 2.383333
Total energy: -43.093075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.093075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.093075 (E_RNA)
where:
Base-Base interactions energy: -11.151
where: short stacking energy: -8.886
Base-Backbone interact. energy: -0.143
local terms energy: -31.799610
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -0.514
tors. eta vs tors. theta energy: 1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 389
Temperature: 2.400000
Total energy: -42.855286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.855286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.855286 (E_RNA)
where:
Base-Base interactions energy: -6.367
where: short stacking energy: -4.432
Base-Backbone interact. energy: -0.243
local terms energy: -36.245437
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -9.604
flat angles P-C4'-P energy: -0.867
tors. eta vs tors. theta energy: 6.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 389
Temperature: 2.416667
Total energy: -34.842291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.842291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.842291 (E_RNA)
where:
Base-Base interactions energy: -9.044
where: short stacking energy: -5.706
Base-Backbone interact. energy: -0.590
local terms energy: -25.208462
where:
bonds (distance) C4'-P energy: -1.430
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -4.300
tors. eta vs tors. theta energy: 6.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 389
Temperature: 2.433333
Total energy: -39.313442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.313442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.313442 (E_RNA)
where:
Base-Base interactions energy: -6.684
where: short stacking energy: -4.303
Base-Backbone interact. energy: -0.188
local terms energy: -32.440897
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: 11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 2.450000
Total energy: -34.753515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.753515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.753515 (E_RNA)
where:
Base-Base interactions energy: -1.466
where: short stacking energy: -3.766
Base-Backbone interact. energy: -0.516
local terms energy: -32.771426
where:
bonds (distance) C4'-P energy: -6.734
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: 6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 389
Temperature: 2.466667
Total energy: -39.169789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.169789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.169789 (E_RNA)
where:
Base-Base interactions energy: -8.345
where: short stacking energy: -8.793
Base-Backbone interact. energy: -0.321
local terms energy: -30.503917
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -8.260
flat angles C4'-P-C4' energy: -9.842
flat angles P-C4'-P energy: -2.127
tors. eta vs tors. theta energy: 5.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 389
Temperature: 2.483333
Total energy: -36.988093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.988093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.988093 (E_RNA)
where:
Base-Base interactions energy: -11.903
where: short stacking energy: -10.961
Base-Backbone interact. energy: -0.134
local terms energy: -24.951333
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -7.285
flat angles P-C4'-P energy: 0.791
tors. eta vs tors. theta energy: 6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 389
Temperature: 2.500000
Total energy: -33.368964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.368964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.368964 (E_RNA)
where:
Base-Base interactions energy: -4.616
where: short stacking energy: -4.527
Base-Backbone interact. energy: 0.206
local terms energy: -28.958494
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -2.580
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: 1, replica: 5
=====================================
Write number: 390
Temperature: 2.350000
Total energy: -41.377049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.377049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.377049 (E_RNA)
where:
Base-Base interactions energy: -3.021
where: short stacking energy: -3.021
Base-Backbone interact. energy: -0.312
local terms energy: -38.043547
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: 5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 2.366667
Total energy: -39.300957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.300957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.300957 (E_RNA)
where:
Base-Base interactions energy: -11.069
where: short stacking energy: -11.283
Base-Backbone interact. energy: 0.564
local terms energy: -28.795662
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -7.266
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -3.142
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: 3, replica: 4
=====================================
Write number: 390
Temperature: 2.383333
Total energy: -45.672839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.672839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.672839 (E_RNA)
where:
Base-Base interactions energy: -5.492
where: short stacking energy: -5.351
Base-Backbone interact. energy: -0.297
local terms energy: -39.883941
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -6.151
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: 4, replica: 6
=====================================
Write number: 390
Temperature: 2.400000
Total energy: -35.833365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.833365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.833365 (E_RNA)
where:
Base-Base interactions energy: -3.475
where: short stacking energy: -2.477
Base-Backbone interact. energy: 1.810
local terms energy: -34.168859
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -6.799
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: 4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 390
Temperature: 2.416667
Total energy: -38.086084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.086084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.086084 (E_RNA)
where:
Base-Base interactions energy: -7.762
where: short stacking energy: -6.337
Base-Backbone interact. energy: -0.115
local terms energy: -30.208812
where:
bonds (distance) C4'-P energy: -6.680
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: 1.103
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: 2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 390
Temperature: 2.433333
Total energy: -40.472226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.472226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.472226 (E_RNA)
where:
Base-Base interactions energy: -10.880
where: short stacking energy: -9.519
Base-Backbone interact. energy: 0.034
local terms energy: -29.626270
where:
bonds (distance) C4'-P energy: -7.729
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -6.534
flat angles P-C4'-P energy: -3.075
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: 3
=====================================
Write number: 390
Temperature: 2.450000
Total energy: -38.904992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.904992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.904992 (E_RNA)
where:
Base-Base interactions energy: -4.265
where: short stacking energy: -4.265
Base-Backbone interact. energy: 1.587
local terms energy: -36.226595
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -9.101
flat angles P-C4'-P energy: 0.508
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: 8, replica: 10
=====================================
Write number: 390
Temperature: 2.466667
Total energy: -35.590116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.590116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.590116 (E_RNA)
where:
Base-Base interactions energy: -6.881
where: short stacking energy: -6.881
Base-Backbone interact. energy: 0.343
local terms energy: -29.052319
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: 11.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 390
Temperature: 2.483333
Total energy: -39.550752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.550752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.550752 (E_RNA)
where:
Base-Base interactions energy: -10.860
where: short stacking energy: -6.311
Base-Backbone interact. energy: -0.323
local terms energy: -28.367242
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -8.986
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: 2.616
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: 10, replica: 9
=====================================
Write number: 390
Temperature: 2.500000
Total energy: -42.536854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.536854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.536854 (E_RNA)
where:
Base-Base interactions energy: -16.293
where: short stacking energy: -13.188
Base-Backbone interact. energy: -0.216
local terms energy: -26.028258
where:
bonds (distance) C4'-P energy: -9.322
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -8.098
flat angles P-C4'-P energy: 2.939
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: 1, replica: 5
=====================================
Write number: 391
Temperature: 2.350000
Total energy: -47.358661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.358661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.358661 (E_RNA)
where:
Base-Base interactions energy: -16.366
where: short stacking energy: -16.366
Base-Backbone interact. energy: -0.236
local terms energy: -30.755725
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -5.996
flat angles P-C4'-P energy: -3.935
tors. eta vs tors. theta energy: 5.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 391
Temperature: 2.366667
Total energy: -35.318078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.318078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.318078 (E_RNA)
where:
Base-Base interactions energy: -6.356
where: short stacking energy: -2.611
Base-Backbone interact. energy: 0.967
local terms energy: -29.929104
where:
bonds (distance) C4'-P energy: -5.107
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -2.649
tors. eta vs tors. theta energy: 5.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 391
Temperature: 2.383333
Total energy: -40.147141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.147141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.147141 (E_RNA)
where:
Base-Base interactions energy: -9.432
where: short stacking energy: -8.667
Base-Backbone interact. energy: -0.494
local terms energy: -30.221017
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -9.252
flat angles C4'-P-C4' energy: -6.180
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: 6.915
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: 4, replica: 8
=====================================
Write number: 391
Temperature: 2.400000
Total energy: -42.696614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.696614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.696614 (E_RNA)
where:
Base-Base interactions energy: -12.752
where: short stacking energy: -12.282
Base-Backbone interact. energy: -0.141
local terms energy: -29.802694
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -4.342
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -4.386
tors. eta vs tors. theta energy: 5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 2.416667
Total energy: -36.348192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.348192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.348192 (E_RNA)
where:
Base-Base interactions energy: -7.070
where: short stacking energy: -5.642
Base-Backbone interact. energy: -0.352
local terms energy: -28.925630
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -3.723
flat angles P-C4'-P energy: -3.693
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: 6, replica: 3
=====================================
Write number: 391
Temperature: 2.433333
Total energy: -41.577150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.577150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.577150 (E_RNA)
where:
Base-Base interactions energy: -9.766
where: short stacking energy: -7.402
Base-Backbone interact. energy: 2.662
local terms energy: -34.473549
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: 1.476
tors. eta vs tors. theta energy: 1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 391
Temperature: 2.450000
Total energy: -37.044712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.044712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.044712 (E_RNA)
where:
Base-Base interactions energy: -4.238
where: short stacking energy: -3.277
Base-Backbone interact. energy: 0.248
local terms energy: -33.054766
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -4.176
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: 4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 391
Temperature: 2.466667
Total energy: -41.065313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.065313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.065313 (E_RNA)
where:
Base-Base interactions energy: -11.260
where: short stacking energy: -9.058
Base-Backbone interact. energy: -0.604
local terms energy: -29.200959
where:
bonds (distance) C4'-P energy: -7.837
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -7.394
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: 9.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 2.483333
Total energy: -36.755928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.755928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.755928 (E_RNA)
where:
Base-Base interactions energy: -9.809
where: short stacking energy: -5.920
Base-Backbone interact. energy: -0.130
local terms energy: -26.817046
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: 3.264
tors. eta vs tors. theta energy: 8.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 391
Temperature: 2.500000
Total energy: -42.249615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.249615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.249615 (E_RNA)
where:
Base-Base interactions energy: -11.519
where: short stacking energy: -10.266
Base-Backbone interact. energy: -0.785
local terms energy: -29.945613
where:
bonds (distance) C4'-P energy: -6.251
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -7.247
flat angles P-C4'-P energy: -6.567
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: 1, replica: 4
=====================================
Write number: 392
Temperature: 2.350000
Total energy: -37.762527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.762527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.762527 (E_RNA)
where:
Base-Base interactions energy: 0.363
where: short stacking energy: 1.555
Base-Backbone interact. energy: -0.338
local terms energy: -37.787954
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -8.545
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: 11.610
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: 5
=====================================
Write number: 392
Temperature: 2.366667
Total energy: -41.065337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.065337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.065337 (E_RNA)
where:
Base-Base interactions energy: -17.544
where: short stacking energy: -11.928
Base-Backbone interact. energy: -0.597
local terms energy: -22.923850
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -2.881
flat angles C4'-P-C4' energy: -7.639
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: 8.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 392
Temperature: 2.383333
Total energy: -39.522450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.522450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.522450 (E_RNA)
where:
Base-Base interactions energy: -11.455
where: short stacking energy: -10.909
Base-Backbone interact. energy: -0.551
local terms energy: -27.516195
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -7.790
flat angles P-C4'-P energy: -4.585
tors. eta vs tors. theta energy: 5.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 392
Temperature: 2.400000
Total energy: -43.347884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.347884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.347884 (E_RNA)
where:
Base-Base interactions energy: -8.388
where: short stacking energy: -8.581
Base-Backbone interact. energy: -0.285
local terms energy: -34.674874
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -10.257
flat angles C4'-P-C4' energy: -6.921
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: 9.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 392
Temperature: 2.416667
Total energy: -41.432812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.432812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.432812 (E_RNA)
where:
Base-Base interactions energy: -13.606
where: short stacking energy: -10.282
Base-Backbone interact. energy: -0.264
local terms energy: -27.563110
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -5.932
flat angles P-C4'-P energy: -0.612
tors. eta vs tors. theta energy: 5.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 392
Temperature: 2.433333
Total energy: -37.116838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.116838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.116838 (E_RNA)
where:
Base-Base interactions energy: -10.049
where: short stacking energy: -8.584
Base-Backbone interact. energy: 0.331
local terms energy: -27.398737
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -9.047
flat angles C4'-P-C4' energy: -0.663
flat angles P-C4'-P energy: -7.476
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: 1
=====================================
Write number: 392
Temperature: 2.450000
Total energy: -40.118267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.118267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.118267 (E_RNA)
where:
Base-Base interactions energy: -9.194
where: short stacking energy: -6.311
Base-Backbone interact. energy: -0.048
local terms energy: -30.876306
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -6.436
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: 7.548
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: 7
=====================================
Write number: 392
Temperature: 2.466667
Total energy: -36.137151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.137151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.137151 (E_RNA)
where:
Base-Base interactions energy: -7.107
where: short stacking energy: -3.996
Base-Backbone interact. energy: -0.203
local terms energy: -28.827674
where:
bonds (distance) C4'-P energy: 1.439
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -8.558
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: 3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 392
Temperature: 2.483333
Total energy: -38.914357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.914357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.914357 (E_RNA)
where:
Base-Base interactions energy: -2.866
where: short stacking energy: -2.866
Base-Backbone interact. energy: -0.523
local terms energy: -35.525425
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -4.575
flat angles P-C4'-P energy: -4.787
tors. eta vs tors. theta energy: 6.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 392
Temperature: 2.500000
Total energy: -35.385252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.385252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.385252 (E_RNA)
where:
Base-Base interactions energy: -3.808
where: short stacking energy: -0.452
Base-Backbone interact. energy: -0.036
local terms energy: -31.541293
where:
bonds (distance) C4'-P energy: -5.455
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -5.991
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: 4.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 393
Temperature: 2.350000
Total energy: -37.561917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.561917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.561917 (E_RNA)
where:
Base-Base interactions energy: -10.979
where: short stacking energy: -10.979
Base-Backbone interact. energy: 1.437
local terms energy: -28.018972
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: 7.765
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: 8
=====================================
Write number: 393
Temperature: 2.366667
Total energy: -34.589840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.589840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.589840 (E_RNA)
where:
Base-Base interactions energy: -7.049
where: short stacking energy: -7.049
Base-Backbone interact. energy: -0.069
local terms energy: -27.471597
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -3.225
flat angles P-C4'-P energy: -5.441
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: 3, replica: 5
=====================================
Write number: 393
Temperature: 2.383333
Total energy: -38.384678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.384678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.384678 (E_RNA)
where:
Base-Base interactions energy: -5.521
where: short stacking energy: -5.071
Base-Backbone interact. energy: -0.227
local terms energy: -32.636307
where:
bonds (distance) C4'-P energy: -8.191
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: 10.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 2.400000
Total energy: -40.747676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.747676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.747676 (E_RNA)
where:
Base-Base interactions energy: -8.316
where: short stacking energy: -7.202
Base-Backbone interact. energy: -0.996
local terms energy: -31.435857
where:
bonds (distance) C4'-P energy: -8.620
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: 9.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 393
Temperature: 2.416667
Total energy: -42.189850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.189850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.189850 (E_RNA)
where:
Base-Base interactions energy: -8.298
where: short stacking energy: -8.298
Base-Backbone interact. energy: -0.910
local terms energy: -32.981426
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: 10.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 393
Temperature: 2.433333
Total energy: -43.086372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.086372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.086372 (E_RNA)
where:
Base-Base interactions energy: -11.676
where: short stacking energy: -11.676
Base-Backbone interact. energy: -0.233
local terms energy: -31.177874
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: 0.870
flat angles P-C4'-P energy: -6.293
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: 7, replica: 6
=====================================
Write number: 393
Temperature: 2.450000
Total energy: -31.664345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.664345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.664345 (E_RNA)
where:
Base-Base interactions energy: -7.541
where: short stacking energy: -6.911
Base-Backbone interact. energy: -0.368
local terms energy: -23.755530
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -1.954
flat angles P-C4'-P energy: -4.184
tors. eta vs tors. theta energy: 9.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 393
Temperature: 2.466667
Total energy: -36.127662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.127662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.127662 (E_RNA)
where:
Base-Base interactions energy: -2.747
where: short stacking energy: -2.747
Base-Backbone interact. energy: -0.217
local terms energy: -33.163781
where:
bonds (distance) C4'-P energy: -8.529
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -8.834
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: 10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 2.483333
Total energy: -42.693075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.693075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.693075 (E_RNA)
where:
Base-Base interactions energy: -8.007
where: short stacking energy: -6.948
Base-Backbone interact. energy: -0.435
local terms energy: -34.250201
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: 10.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 393
Temperature: 2.500000
Total energy: -35.726488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.726488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.726488 (E_RNA)
where:
Base-Base interactions energy: -7.043
where: short stacking energy: -2.206
Base-Backbone interact. energy: -0.180
local terms energy: -28.503591
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -6.338
flat angles P-C4'-P energy: -4.895
tors. eta vs tors. theta energy: 10.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 394
Temperature: 2.350000
Total energy: -37.189739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.189739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.189739 (E_RNA)
where:
Base-Base interactions energy: -2.927
where: short stacking energy: -2.250
Base-Backbone interact. energy: -0.493
local terms energy: -33.769216
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -1.790
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: 4
=====================================
Write number: 394
Temperature: 2.366667
Total energy: -42.658866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.658866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.658866 (E_RNA)
where:
Base-Base interactions energy: -13.030
where: short stacking energy: -13.330
Base-Backbone interact. energy: 0.672
local terms energy: -30.301802
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -9.637
flat angles C4'-P-C4' energy: -4.478
flat angles P-C4'-P energy: -2.750
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 394
Temperature: 2.383333
Total energy: -36.211385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.211385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.211385 (E_RNA)
where:
Base-Base interactions energy: -2.443
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.332
local terms energy: -33.435608
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -7.381
flat angles P-C4'-P energy: -1.491
tors. eta vs tors. theta energy: 8.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 394
Temperature: 2.400000
Total energy: -33.321211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.321211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.321211 (E_RNA)
where:
Base-Base interactions energy: -5.178
where: short stacking energy: -5.185
Base-Backbone interact. energy: 1.489
local terms energy: -29.632598
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -9.217
flat angles C4'-P-C4' energy: -7.880
flat angles P-C4'-P energy: -2.334
tors. eta vs tors. theta energy: 4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 394
Temperature: 2.416667
Total energy: -40.336093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.336093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.336093 (E_RNA)
where:
Base-Base interactions energy: -13.924
where: short stacking energy: -13.860
Base-Backbone interact. energy: -0.137
local terms energy: -26.274890
where:
bonds (distance) C4'-P energy: -8.568
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -8.276
flat angles P-C4'-P energy: 6.934
tors. eta vs tors. theta energy: 1.290
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: 2
=====================================
Write number: 394
Temperature: 2.433333
Total energy: -35.706180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.706180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.706180 (E_RNA)
where:
Base-Base interactions energy: -5.829
where: short stacking energy: -7.729
Base-Backbone interact. energy: -0.190
local terms energy: -29.688002
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -6.652
flat angles P-C4'-P energy: -3.496
tors. eta vs tors. theta energy: 7.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 2.450000
Total energy: -41.262637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.262637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.262637 (E_RNA)
where:
Base-Base interactions energy: -8.560
where: short stacking energy: -6.298
Base-Backbone interact. energy: -0.482
local terms energy: -32.221068
where:
bonds (distance) C4'-P energy: -6.526
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: 11.165
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: 6
=====================================
Write number: 394
Temperature: 2.466667
Total energy: -33.630135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.630135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.630135 (E_RNA)
where:
Base-Base interactions energy: -8.002
where: short stacking energy: -7.815
Base-Backbone interact. energy: 0.602
local terms energy: -26.230303
where:
bonds (distance) C4'-P energy: -7.596
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -0.970
tors. eta vs tors. theta energy: 9.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 2.483333
Total energy: -31.976524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.976524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.976524 (E_RNA)
where:
Base-Base interactions energy: -3.186
where: short stacking energy: -2.958
Base-Backbone interact. energy: 2.676
local terms energy: -31.466456
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -1.357
tors. eta vs tors. theta energy: 9.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 2.500000
Total energy: -39.001649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.001649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.001649 (E_RNA)
where:
Base-Base interactions energy: -10.730
where: short stacking energy: -9.622
Base-Backbone interact. energy: -0.278
local terms energy: -27.993577
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -3.802
flat angles C4'-P-C4' energy: -6.323
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: 7.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 395
Temperature: 2.350000
Total energy: -38.286017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.286017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.286017 (E_RNA)
where:
Base-Base interactions energy: -5.526
where: short stacking energy: -5.194
Base-Backbone interact. energy: -0.198
local terms energy: -32.562751
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -6.447
flat angles P-C4'-P energy: -5.089
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: 2, replica: 3
=====================================
Write number: 395
Temperature: 2.366667
Total energy: -35.904944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.904944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.904944 (E_RNA)
where:
Base-Base interactions energy: -3.597
where: short stacking energy: -2.124
Base-Backbone interact. energy: -0.194
local terms energy: -32.114279
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: 5.323
tors. eta vs tors. theta energy: 3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 395
Temperature: 2.383333
Total energy: -48.935473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.935473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.935473 (E_RNA)
where:
Base-Base interactions energy: -16.990
where: short stacking energy: -14.809
Base-Backbone interact. energy: 0.833
local terms energy: -32.778264
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -5.644
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -5.020
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: 4, replica: 1
=====================================
Write number: 395
Temperature: 2.400000
Total energy: -39.931665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.931665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.931665 (E_RNA)
where:
Base-Base interactions energy: -4.016
where: short stacking energy: -4.016
Base-Backbone interact. energy: -0.357
local terms energy: -35.559140
where:
bonds (distance) C4'-P energy: -6.108
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -3.770
tors. eta vs tors. theta energy: 7.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 2.416667
Total energy: -34.532589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.532589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.532589 (E_RNA)
where:
Base-Base interactions energy: -3.064
where: short stacking energy: -2.610
Base-Backbone interact. energy: -0.619
local terms energy: -30.850341
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -4.062
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: 10.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 395
Temperature: 2.433333
Total energy: -36.117682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.117682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.117682 (E_RNA)
where:
Base-Base interactions energy: -9.214
where: short stacking energy: -9.214
Base-Backbone interact. energy: 1.151
local terms energy: -28.053921
where:
bonds (distance) C4'-P energy: -8.639
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -10.223
flat angles P-C4'-P energy: -4.323
tors. eta vs tors. theta energy: 6.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 395
Temperature: 2.450000
Total energy: -37.667224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.667224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.667224 (E_RNA)
where:
Base-Base interactions energy: -6.040
where: short stacking energy: -6.040
Base-Backbone interact. energy: -0.376
local terms energy: -31.250498
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: 7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 2.466667
Total energy: -33.907031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.907031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.907031 (E_RNA)
where:
Base-Base interactions energy: -9.667
where: short stacking energy: -9.426
Base-Backbone interact. energy: 0.049
local terms energy: -24.289260
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -9.691
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: 4.610
tors. eta vs tors. theta energy: 1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 395
Temperature: 2.483333
Total energy: -43.187203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.187203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.187203 (E_RNA)
where:
Base-Base interactions energy: -3.468
where: short stacking energy: -3.199
Base-Backbone interact. energy: 2.966
local terms energy: -42.685221
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -13.255
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -4.762
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: 10, replica: 7
=====================================
Write number: 395
Temperature: 2.500000
Total energy: -39.582969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.582969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.582969 (E_RNA)
where:
Base-Base interactions energy: -5.410
where: short stacking energy: -5.410
Base-Backbone interact. energy: -0.073
local terms energy: -34.099945
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -8.628
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: 6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 396
Temperature: 2.350000
Total energy: -40.422914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.422914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.422914 (E_RNA)
where:
Base-Base interactions energy: -6.664
where: short stacking energy: -7.508
Base-Backbone interact. energy: -0.297
local terms energy: -33.461330
where:
bonds (distance) C4'-P energy: -9.009
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -6.195
flat angles P-C4'-P energy: -8.282
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: 2, replica: 8
=====================================
Write number: 396
Temperature: 2.366667
Total energy: -41.098586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.098586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.098586 (E_RNA)
where:
Base-Base interactions energy: -8.925
where: short stacking energy: -8.925
Base-Backbone interact. energy: -0.374
local terms energy: -31.799879
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -8.886
flat angles C4'-P-C4' energy: -7.788
flat angles P-C4'-P energy: -4.232
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: 3, replica: 1
=====================================
Write number: 396
Temperature: 2.383333
Total energy: -44.842588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.842588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.842588 (E_RNA)
where:
Base-Base interactions energy: -13.159
where: short stacking energy: -12.226
Base-Backbone interact. energy: 2.588
local terms energy: -34.271292
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -9.480
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -3.805
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: 4, replica: 4
=====================================
Write number: 396
Temperature: 2.400000
Total energy: -37.764470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.764470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.764470 (E_RNA)
where:
Base-Base interactions energy: -2.957
where: short stacking energy: -2.957
Base-Backbone interact. energy: -0.142
local terms energy: -34.665746
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -7.380
flat angles P-C4'-P energy: -3.281
tors. eta vs tors. theta energy: 7.019
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: 9
=====================================
Write number: 396
Temperature: 2.416667
Total energy: -37.837785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.837785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.837785 (E_RNA)
where:
Base-Base interactions energy: -4.502
where: short stacking energy: -4.225
Base-Backbone interact. energy: 3.842
local terms energy: -37.177636
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -3.880
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: 0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 2.433333
Total energy: -35.620494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.620494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.620494 (E_RNA)
where:
Base-Base interactions energy: -5.084
where: short stacking energy: -5.040
Base-Backbone interact. energy: 0.384
local terms energy: -30.920954
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -7.711
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: 11.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 2.450000
Total energy: -39.888743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.888743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.888743 (E_RNA)
where:
Base-Base interactions energy: -7.171
where: short stacking energy: -6.923
Base-Backbone interact. energy: -0.319
local terms energy: -32.398472
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -0.422
tors. eta vs tors. theta energy: 6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 396
Temperature: 2.466667
Total energy: -32.262405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.262405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.262405 (E_RNA)
where:
Base-Base interactions energy: -1.843
where: short stacking energy: -1.100
Base-Backbone interact. energy: 0.438
local terms energy: -30.857690
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -6.370
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: 6.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 2.483333
Total energy: -42.695764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.695764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.695764 (E_RNA)
where:
Base-Base interactions energy: -8.498
where: short stacking energy: -3.423
Base-Backbone interact. energy: -0.768
local terms energy: -33.430449
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -8.985
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: 9.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 396
Temperature: 2.500000
Total energy: -38.322698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.322698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.322698 (E_RNA)
where:
Base-Base interactions energy: -6.756
where: short stacking energy: -7.122
Base-Backbone interact. energy: -0.289
local terms energy: -31.277402
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -9.179
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -3.428
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: 1, replica: 3
=====================================
Write number: 397
Temperature: 2.350000
Total energy: -39.390453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.390453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.390453 (E_RNA)
where:
Base-Base interactions energy: -11.314
where: short stacking energy: -9.820
Base-Backbone interact. energy: 0.767
local terms energy: -28.842716
where:
bonds (distance) C4'-P energy: -6.582
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -8.411
flat angles P-C4'-P energy: -2.712
tors. eta vs tors. theta energy: 1.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 397
Temperature: 2.366667
Total energy: -50.250298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.250298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.250298 (E_RNA)
where:
Base-Base interactions energy: -7.344
where: short stacking energy: -6.071
Base-Backbone interact. energy: 0.007
local terms energy: -42.913456
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: 2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 397
Temperature: 2.383333
Total energy: -40.383611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.383611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.383611 (E_RNA)
where:
Base-Base interactions energy: -5.188
where: short stacking energy: -4.748
Base-Backbone interact. energy: 0.080
local terms energy: -35.275829
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -6.236
flat angles P-C4'-P energy: 0.424
tors. eta vs tors. theta energy: 4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 397
Temperature: 2.400000
Total energy: -44.774249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.774249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.774249 (E_RNA)
where:
Base-Base interactions energy: -5.556
where: short stacking energy: -5.556
Base-Backbone interact. energy: -0.048
local terms energy: -39.169912
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -4.960
flat angles P-C4'-P energy: -5.567
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: 5, replica: 4
=====================================
Write number: 397
Temperature: 2.416667
Total energy: -41.507446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.507446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.507446 (E_RNA)
where:
Base-Base interactions energy: -10.396
where: short stacking energy: -9.858
Base-Backbone interact. energy: 0.533
local terms energy: -31.645205
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -6.059
flat angles P-C4'-P energy: -4.327
tors. eta vs tors. theta energy: 7.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 397
Temperature: 2.433333
Total energy: -33.399540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.399540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.399540 (E_RNA)
where:
Base-Base interactions energy: -5.715
where: short stacking energy: -4.628
Base-Backbone interact. energy: -1.446
local terms energy: -26.238137
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -0.308
flat angles P-C4'-P energy: -1.772
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: 5
=====================================
Write number: 397
Temperature: 2.450000
Total energy: -36.902783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.902783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.902783 (E_RNA)
where:
Base-Base interactions energy: -7.334
where: short stacking energy: -6.601
Base-Backbone interact. energy: -0.358
local terms energy: -29.210686
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -8.868
flat angles P-C4'-P energy: -2.555
tors. eta vs tors. theta energy: 5.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 397
Temperature: 2.466667
Total energy: -40.448053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.448053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.448053 (E_RNA)
where:
Base-Base interactions energy: -4.823
where: short stacking energy: -4.823
Base-Backbone interact. energy: -0.376
local terms energy: -35.248652
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -7.979
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: 8.325
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: 2
=====================================
Write number: 397
Temperature: 2.483333
Total energy: -36.529560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.529560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.529560 (E_RNA)
where:
Base-Base interactions energy: -3.764
where: short stacking energy: -3.764
Base-Backbone interact. energy: 0.452
local terms energy: -33.217486
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -5.829
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: 6.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 397
Temperature: 2.500000
Total energy: -35.964189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.964189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.964189 (E_RNA)
where:
Base-Base interactions energy: -4.170
where: short stacking energy: -4.816
Base-Backbone interact. energy: -0.163
local terms energy: -31.630330
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -6.958
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: 9.207
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: 1
=====================================
Write number: 398
Temperature: 2.350000
Total energy: -36.639567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.639567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.639567 (E_RNA)
where:
Base-Base interactions energy: -16.156
where: short stacking energy: -15.177
Base-Backbone interact. energy: 0.783
local terms energy: -21.266223
where:
bonds (distance) C4'-P energy: -8.376
bonds (distance) P-C4' energy: -9.462
flat angles C4'-P-C4' energy: -8.472
flat angles P-C4'-P energy: -0.630
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: 2, replica: 3
=====================================
Write number: 398
Temperature: 2.366667
Total energy: -38.636351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.636351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.636351 (E_RNA)
where:
Base-Base interactions energy: -5.240
where: short stacking energy: -5.240
Base-Backbone interact. energy: -0.035
local terms energy: -33.361771
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -8.114
flat angles C4'-P-C4' energy: -7.013
flat angles P-C4'-P energy: -3.257
tors. eta vs tors. theta energy: -1.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 398
Temperature: 2.383333
Total energy: -48.725249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.725249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.725249 (E_RNA)
where:
Base-Base interactions energy: -6.455
where: short stacking energy: -6.183
Base-Backbone interact. energy: -0.581
local terms energy: -41.689092
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -3.406
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: 1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 398
Temperature: 2.400000
Total energy: -50.417281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.417281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.417281 (E_RNA)
where:
Base-Base interactions energy: -9.466
where: short stacking energy: -9.466
Base-Backbone interact. energy: 1.032
local terms energy: -41.983057
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -8.885
flat angles C4'-P-C4' energy: -9.688
flat angles P-C4'-P energy: -10.390
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: 5, replica: 10
=====================================
Write number: 398
Temperature: 2.416667
Total energy: -43.242949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.242949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.242949 (E_RNA)
where:
Base-Base interactions energy: -6.183
where: short stacking energy: -4.580
Base-Backbone interact. energy: 1.859
local terms energy: -38.919363
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -3.019
tors. eta vs tors. theta energy: 5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 398
Temperature: 2.433333
Total energy: -37.781370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.781370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.781370 (E_RNA)
where:
Base-Base interactions energy: -8.378
where: short stacking energy: -4.298
Base-Backbone interact. energy: -0.294
local terms energy: -29.109119
where:
bonds (distance) C4'-P energy: -9.190
bonds (distance) P-C4' energy: -10.138
flat angles C4'-P-C4' energy: -5.160
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: 10.156
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: 7
=====================================
Write number: 398
Temperature: 2.450000
Total energy: -39.167188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.167188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.167188 (E_RNA)
where:
Base-Base interactions energy: -7.147
where: short stacking energy: -7.147
Base-Backbone interact. energy: -0.135
local terms energy: -31.885629
where:
bonds (distance) C4'-P energy: -9.829
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -6.550
flat angles P-C4'-P energy: -5.455
tors. eta vs tors. theta energy: 5.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 398
Temperature: 2.466667
Total energy: -44.345219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.345219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.345219 (E_RNA)
where:
Base-Base interactions energy: -10.181
where: short stacking energy: -10.781
Base-Backbone interact. energy: -0.185
local terms energy: -33.978713
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -5.904
flat angles P-C4'-P energy: -0.701
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: 9, replica: 6
=====================================
Write number: 398
Temperature: 2.483333
Total energy: -40.602686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.602686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.602686 (E_RNA)
where:
Base-Base interactions energy: -10.467
where: short stacking energy: -9.921
Base-Backbone interact. energy: 1.065
local terms energy: -31.200508
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -9.032
flat angles C4'-P-C4' energy: -7.615
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: 8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 398
Temperature: 2.500000
Total energy: -42.449337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.449337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.449337 (E_RNA)
where:
Base-Base interactions energy: -9.751
where: short stacking energy: -8.518
Base-Backbone interact. energy: 0.861
local terms energy: -33.559064
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: 0.369
tors. eta vs tors. theta energy: 6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 399
Temperature: 2.350000
Total energy: -42.350529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.350529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.350529 (E_RNA)
where:
Base-Base interactions energy: -6.650
where: short stacking energy: -6.650
Base-Backbone interact. energy: -0.130
local terms energy: -35.570023
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -1.980
tors. eta vs tors. theta energy: 2.760
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: 9
=====================================
Write number: 399
Temperature: 2.366667
Total energy: -36.016426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.016426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.016426 (E_RNA)
where:
Base-Base interactions energy: -8.124
where: short stacking energy: -7.081
Base-Backbone interact. energy: 0.028
local terms energy: -27.920048
where:
bonds (distance) C4'-P energy: -10.714
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -7.353
flat angles P-C4'-P energy: 1.158
tors. eta vs tors. theta energy: 5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 399
Temperature: 2.383333
Total energy: -37.757725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.757725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.757725 (E_RNA)
where:
Base-Base interactions energy: -6.043
where: short stacking energy: -5.832
Base-Backbone interact. energy: -0.293
local terms energy: -31.421667
where:
bonds (distance) C4'-P energy: -8.145
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -6.561
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: 4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 2.400000
Total energy: -39.294078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.294078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.294078 (E_RNA)
where:
Base-Base interactions energy: -11.147
where: short stacking energy: -9.958
Base-Backbone interact. energy: -0.187
local terms energy: -27.960615
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -5.947
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: 8.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 399
Temperature: 2.416667
Total energy: -48.604753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.604753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.604753 (E_RNA)
where:
Base-Base interactions energy: -13.190
where: short stacking energy: -11.242
Base-Backbone interact. energy: -0.154
local terms energy: -35.260750
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: 0.150
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: 6, replica: 7
=====================================
Write number: 399
Temperature: 2.433333
Total energy: -38.502099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.502099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.502099 (E_RNA)
where:
Base-Base interactions energy: -0.826
where: short stacking energy: -2.826
Base-Backbone interact. energy: -0.278
local terms energy: -37.398130
where:
bonds (distance) C4'-P energy: -8.051
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: 7.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 399
Temperature: 2.450000
Total energy: -40.370341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.370341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.370341 (E_RNA)
where:
Base-Base interactions energy: -6.641
where: short stacking energy: -4.720
Base-Backbone interact. energy: -0.030
local terms energy: -33.699480
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -8.961
flat angles C4'-P-C4' energy: -8.826
flat angles P-C4'-P energy: -9.342
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: 6
=====================================
Write number: 399
Temperature: 2.466667
Total energy: -37.296858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.296858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.296858 (E_RNA)
where:
Base-Base interactions energy: -7.253
where: short stacking energy: -5.448
Base-Backbone interact. energy: -1.163
local terms energy: -28.881714
where:
bonds (distance) C4'-P energy: -8.513
bonds (distance) P-C4' energy: -7.762
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: 8.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 399
Temperature: 2.483333
Total energy: -34.646930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.646930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.646930 (E_RNA)
where:
Base-Base interactions energy: -7.350
where: short stacking energy: -6.411
Base-Backbone interact. energy: 0.030
local terms energy: -27.326849
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -1.766
flat angles P-C4'-P energy: -5.487
tors. eta vs tors. theta energy: 3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 399
Temperature: 2.500000
Total energy: -36.339459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.339459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.339459 (E_RNA)
where:
Base-Base interactions energy: -8.070
where: short stacking energy: -8.470
Base-Backbone interact. energy: 5.585
local terms energy: -33.854207
where:
bonds (distance) C4'-P energy: -5.547
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: 4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 400
Temperature: 2.350000
Total energy: -42.815661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.815661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.815661 (E_RNA)
where:
Base-Base interactions energy: -13.329
where: short stacking energy: -12.669
Base-Backbone interact. energy: 2.715
local terms energy: -32.202089
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -9.949
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -7.372
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: 2, replica: 1
=====================================
Write number: 400
Temperature: 2.366667
Total energy: -41.225092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.225092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.225092 (E_RNA)
where:
Base-Base interactions energy: -5.009
where: short stacking energy: -5.752
Base-Backbone interact. energy: -0.336
local terms energy: -35.880131
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -4.476
flat angles P-C4'-P energy: -5.161
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: 3, replica: 10
=====================================
Write number: 400
Temperature: 2.383333
Total energy: -41.013894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.013894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.013894 (E_RNA)
where:
Base-Base interactions energy: -8.577
where: short stacking energy: -5.614
Base-Backbone interact. energy: 0.023
local terms energy: -32.459017
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -8.851
flat angles P-C4'-P energy: -3.101
tors. eta vs tors. theta energy: 8.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 400
Temperature: 2.400000
Total energy: -33.146408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.146408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.146408 (E_RNA)
where:
Base-Base interactions energy: -8.594
where: short stacking energy: -4.535
Base-Backbone interact. energy: -0.297
local terms energy: -24.255291
where:
bonds (distance) C4'-P energy: -8.646
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -3.079
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: 9.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 400
Temperature: 2.416667
Total energy: -41.200389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.200389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.200389 (E_RNA)
where:
Base-Base interactions energy: -3.508
where: short stacking energy: -2.172
Base-Backbone interact. energy: -0.156
local terms energy: -37.536222
where:
bonds (distance) C4'-P energy: -8.402
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: 5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 400
Temperature: 2.433333
Total energy: -36.079566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.079566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.079566 (E_RNA)
where:
Base-Base interactions energy: -2.539
where: short stacking energy: -2.539
Base-Backbone interact. energy: -0.388
local terms energy: -33.152659
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -7.035
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: 8.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 2.450000
Total energy: -33.613242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.613242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.613242 (E_RNA)
where:
Base-Base interactions energy: -5.203
where: short stacking energy: -3.407
Base-Backbone interact. energy: -0.404
local terms energy: -28.005955
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -6.100
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: 11.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 2.466667
Total energy: -30.868449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.868449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.868449 (E_RNA)
where:
Base-Base interactions energy: -5.264
where: short stacking energy: -2.296
Base-Backbone interact. energy: 0.470
local terms energy: -26.074910
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -6.192
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: 5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 400
Temperature: 2.483333
Total energy: -38.899989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.899989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.899989 (E_RNA)
where:
Base-Base interactions energy: -9.243
where: short stacking energy: -8.559
Base-Backbone interact. energy: 0.823
local terms energy: -30.479995
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: 5.241
tors. eta vs tors. theta energy: 6.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 400
Temperature: 2.500000
Total energy: -38.152745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.152745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.152745 (E_RNA)
where:
Base-Base interactions energy: -8.309
where: short stacking energy: -3.570
Base-Backbone interact. energy: 6.257
local terms energy: -36.100614
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: 9.147
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: 1, replica: 9
=====================================
Write number: 401
Temperature: 2.350000
Total energy: -38.634734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.634734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.634734 (E_RNA)
where:
Base-Base interactions energy: -6.067
where: short stacking energy: -5.081
Base-Backbone interact. energy: -0.245
local terms energy: -32.323034
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -4.939
flat angles P-C4'-P energy: -4.369
tors. eta vs tors. theta energy: 8.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 401
Temperature: 2.366667
Total energy: -37.298126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.298126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.298126 (E_RNA)
where:
Base-Base interactions energy: -12.385
where: short stacking energy: -11.721
Base-Backbone interact. energy: -0.298
local terms energy: -24.614924
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -7.460
flat angles P-C4'-P energy: 5.857
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: 3, replica: 1
=====================================
Write number: 401
Temperature: 2.383333
Total energy: -36.027878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.027878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.027878 (E_RNA)
where:
Base-Base interactions energy: -5.387
where: short stacking energy: -3.167
Base-Backbone interact. energy: -0.296
local terms energy: -30.345074
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -6.842
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: 11.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 401
Temperature: 2.400000
Total energy: -44.002733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.002733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.002733 (E_RNA)
where:
Base-Base interactions energy: -7.876
where: short stacking energy: -7.024
Base-Backbone interact. energy: -0.305
local terms energy: -35.821764
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -8.721
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: 7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 401
Temperature: 2.416667
Total energy: -36.480311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.480311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.480311 (E_RNA)
where:
Base-Base interactions energy: -15.715
where: short stacking energy: -9.831
Base-Backbone interact. energy: 4.182
local terms energy: -24.947840
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -8.689
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -1.198
tors. eta vs tors. theta energy: 8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 401
Temperature: 2.433333
Total energy: -37.522587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.522587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.522587 (E_RNA)
where:
Base-Base interactions energy: -14.231
where: short stacking energy: -11.985
Base-Backbone interact. energy: 0.257
local terms energy: -23.549116
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -7.578
flat angles C4'-P-C4' energy: -5.292
flat angles P-C4'-P energy: -1.463
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: 7, replica: 8
=====================================
Write number: 401
Temperature: 2.450000
Total energy: -37.551238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.551238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.551238 (E_RNA)
where:
Base-Base interactions energy: -2.166
where: short stacking energy: -0.830
Base-Backbone interact. energy: -0.046
local terms energy: -35.339694
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: 9.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 401
Temperature: 2.466667
Total energy: -42.749368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.749368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.749368 (E_RNA)
where:
Base-Base interactions energy: -6.391
where: short stacking energy: -4.518
Base-Backbone interact. energy: -0.322
local terms energy: -36.036011
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -4.300
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: 4.336
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: 9, replica: 4
=====================================
Write number: 401
Temperature: 2.483333
Total energy: -39.955042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.955042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.955042 (E_RNA)
where:
Base-Base interactions energy: -8.040
where: short stacking energy: -5.681
Base-Backbone interact. energy: 0.409
local terms energy: -32.324921
where:
bonds (distance) C4'-P energy: -5.257
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -8.317
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: 8.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 401
Temperature: 2.500000
Total energy: -37.627244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.627244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.627244 (E_RNA)
where:
Base-Base interactions energy: -6.152
where: short stacking energy: -4.579
Base-Backbone interact. energy: 0.500
local terms energy: -31.975618
where:
bonds (distance) C4'-P energy: -9.632
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -1.918
flat angles P-C4'-P energy: -8.181
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: 1, replica: 10
=====================================
Write number: 402
Temperature: 2.350000
Total energy: -39.863860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.863860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.863860 (E_RNA)
where:
Base-Base interactions energy: -10.080
where: short stacking energy: -9.720
Base-Backbone interact. energy: -0.200
local terms energy: -29.584036
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: 8.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 402
Temperature: 2.366667
Total energy: -38.441340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.441340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.441340 (E_RNA)
where:
Base-Base interactions energy: -4.771
where: short stacking energy: -3.767
Base-Backbone interact. energy: -1.037
local terms energy: -32.633183
where:
bonds (distance) C4'-P energy: -5.926
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -1.947
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: 3, replica: 7
=====================================
Write number: 402
Temperature: 2.383333
Total energy: -36.349654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.349654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.349654 (E_RNA)
where:
Base-Base interactions energy: -5.240
where: short stacking energy: -5.240
Base-Backbone interact. energy: 1.411
local terms energy: -32.520156
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -8.711
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -3.996
tors. eta vs tors. theta energy: 4.564
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: 1
=====================================
Write number: 402
Temperature: 2.400000
Total energy: -37.100807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.100807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.100807 (E_RNA)
where:
Base-Base interactions energy: -5.788
where: short stacking energy: -6.288
Base-Backbone interact. energy: -0.174
local terms energy: -31.139157
where:
bonds (distance) C4'-P energy: -3.530
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -8.851
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: 5, replica: 6
=====================================
Write number: 402
Temperature: 2.416667
Total energy: -36.617159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.617159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.617159 (E_RNA)
where:
Base-Base interactions energy: -10.728
where: short stacking energy: -9.387
Base-Backbone interact. energy: 0.479
local terms energy: -26.368828
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -4.068
flat angles P-C4'-P energy: 4.279
tors. eta vs tors. theta energy: 4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 402
Temperature: 2.433333
Total energy: -34.859865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.859865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.859865 (E_RNA)
where:
Base-Base interactions energy: -10.585
where: short stacking energy: -5.479
Base-Backbone interact. energy: -0.214
local terms energy: -24.060106
where:
bonds (distance) C4'-P energy: -8.010
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -6.320
flat angles P-C4'-P energy: -4.300
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: 7, replica: 2
=====================================
Write number: 402
Temperature: 2.450000
Total energy: -39.348731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.348731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.348731 (E_RNA)
where:
Base-Base interactions energy: -10.903
where: short stacking energy: -10.162
Base-Backbone interact. energy: -0.240
local terms energy: -28.205286
where:
bonds (distance) C4'-P energy: -6.336
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -6.885
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: 2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 402
Temperature: 2.466667
Total energy: -40.923914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.923914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.923914 (E_RNA)
where:
Base-Base interactions energy: -16.321
where: short stacking energy: -16.321
Base-Backbone interact. energy: -0.134
local terms energy: -24.468299
where:
bonds (distance) C4'-P energy: -5.740
bonds (distance) P-C4' energy: -6.197
flat angles C4'-P-C4' energy: -6.682
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: 3.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 402
Temperature: 2.483333
Total energy: -38.786028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.786028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.786028 (E_RNA)
where:
Base-Base interactions energy: -8.754
where: short stacking energy: -8.754
Base-Backbone interact. energy: -0.257
local terms energy: -29.775239
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -8.844
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -8.670
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: 4
=====================================
Write number: 402
Temperature: 2.500000
Total energy: -39.770026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.770026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.770026 (E_RNA)
where:
Base-Base interactions energy: -7.836
where: short stacking energy: -7.132
Base-Backbone interact. energy: -0.055
local terms energy: -31.878783
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -2.946
tors. eta vs tors. theta energy: 7.705
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: 1, replica: 10
=====================================
Write number: 403
Temperature: 2.350000
Total energy: -42.095863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.095863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.095863 (E_RNA)
where:
Base-Base interactions energy: -10.007
where: short stacking energy: -4.490
Base-Backbone interact. energy: -1.907
local terms energy: -30.182360
where:
bonds (distance) C4'-P energy: -4.811
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -9.304
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: 6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 403
Temperature: 2.366667
Total energy: -42.019489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.019489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.019489 (E_RNA)
where:
Base-Base interactions energy: -9.132
where: short stacking energy: -5.985
Base-Backbone interact. energy: 0.159
local terms energy: -33.046770
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -5.205
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: 8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 403
Temperature: 2.383333
Total energy: -45.085499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.085499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.085499 (E_RNA)
where:
Base-Base interactions energy: -13.995
where: short stacking energy: -13.377
Base-Backbone interact. energy: 1.414
local terms energy: -32.504405
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -2.412
flat angles P-C4'-P energy: 0.217
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: 6
=====================================
Write number: 403
Temperature: 2.400000
Total energy: -34.297136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.297136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.297136 (E_RNA)
where:
Base-Base interactions energy: -3.067
where: short stacking energy: -1.424
Base-Backbone interact. energy: 2.346
local terms energy: -33.576089
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -10.944
flat angles C4'-P-C4' energy: -7.993
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: 7.269
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: 1
=====================================
Write number: 403
Temperature: 2.416667
Total energy: -41.919912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.919912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.919912 (E_RNA)
where:
Base-Base interactions energy: -9.780
where: short stacking energy: -9.569
Base-Backbone interact. energy: -0.183
local terms energy: -31.956724
where:
bonds (distance) C4'-P energy: -4.842
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -5.747
flat angles P-C4'-P energy: -6.289
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: 6, replica: 2
=====================================
Write number: 403
Temperature: 2.433333
Total energy: -41.646048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.646048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.646048 (E_RNA)
where:
Base-Base interactions energy: -11.468
where: short stacking energy: -9.677
Base-Backbone interact. energy: -0.483
local terms energy: -29.694823
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -3.548
tors. eta vs tors. theta energy: 9.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 403
Temperature: 2.450000
Total energy: -40.984489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.984489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.984489 (E_RNA)
where:
Base-Base interactions energy: -12.133
where: short stacking energy: -12.059
Base-Backbone interact. energy: -0.200
local terms energy: -28.651641
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -8.379
flat angles P-C4'-P energy: -2.170
tors. eta vs tors. theta energy: 7.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 403
Temperature: 2.466667
Total energy: -42.939778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.939778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.939778 (E_RNA)
where:
Base-Base interactions energy: -9.382
where: short stacking energy: -5.888
Base-Backbone interact. energy: -0.274
local terms energy: -33.284253
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -7.356
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: 10.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 403
Temperature: 2.483333
Total energy: -39.395545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.395545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.395545 (E_RNA)
where:
Base-Base interactions energy: -4.101
where: short stacking energy: -4.101
Base-Backbone interact. energy: 1.715
local terms energy: -37.009500
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: 8.684
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: 4
=====================================
Write number: 403
Temperature: 2.500000
Total energy: -43.702320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.702320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.702320 (E_RNA)
where:
Base-Base interactions energy: -8.698
where: short stacking energy: -4.802
Base-Backbone interact. energy: -0.190
local terms energy: -34.814838
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -6.874
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: 6.838
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: 7
=====================================
Write number: 404
Temperature: 2.350000
Total energy: -37.484227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.484227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.484227 (E_RNA)
where:
Base-Base interactions energy: -11.233
where: short stacking energy: -3.042
Base-Backbone interact. energy: 1.106
local terms energy: -27.356799
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -4.249
flat angles P-C4'-P energy: -6.265
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: 2, replica: 10
=====================================
Write number: 404
Temperature: 2.366667
Total energy: -36.076193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.076193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.076193 (E_RNA)
where:
Base-Base interactions energy: -9.263
where: short stacking energy: -9.263
Base-Backbone interact. energy: -0.988
local terms energy: -25.825151
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -8.037
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -1.627
tors. eta vs tors. theta energy: 8.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 404
Temperature: 2.383333
Total energy: -40.314812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.314812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.314812 (E_RNA)
where:
Base-Base interactions energy: -5.337
where: short stacking energy: -4.390
Base-Backbone interact. energy: 2.144
local terms energy: -37.122469
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -9.054
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: 9.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 404
Temperature: 2.400000
Total energy: -41.716782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.716782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.716782 (E_RNA)
where:
Base-Base interactions energy: -14.906
where: short stacking energy: -13.052
Base-Backbone interact. energy: -0.161
local terms energy: -26.649488
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -9.406
flat angles C4'-P-C4' energy: -6.988
flat angles P-C4'-P energy: 2.803
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: 5, replica: 2
=====================================
Write number: 404
Temperature: 2.416667
Total energy: -35.680335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.680335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.680335 (E_RNA)
where:
Base-Base interactions energy: -6.952
where: short stacking energy: -7.052
Base-Backbone interact. energy: -0.198
local terms energy: -28.530112
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -8.860
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: 1.875
tors. eta vs tors. theta energy: 0.200
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: 6, replica: 1
=====================================
Write number: 404
Temperature: 2.433333
Total energy: -46.651904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.651904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.651904 (E_RNA)
where:
Base-Base interactions energy: -12.821
where: short stacking energy: -12.867
Base-Backbone interact. energy: -0.446
local terms energy: -33.384832
where:
bonds (distance) C4'-P energy: -4.237
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -8.072
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: 0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 404
Temperature: 2.450000
Total energy: -36.746869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.746869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.746869 (E_RNA)
where:
Base-Base interactions energy: -11.093
where: short stacking energy: -10.332
Base-Backbone interact. energy: 0.007
local terms energy: -25.661165
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -1.705
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: 9.264
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: 3
=====================================
Write number: 404
Temperature: 2.466667
Total energy: -47.125567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.125567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.125567 (E_RNA)
where:
Base-Base interactions energy: -9.651
where: short stacking energy: -9.651
Base-Backbone interact. energy: 0.822
local terms energy: -38.296813
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -3.617
tors. eta vs tors. theta energy: 10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 404
Temperature: 2.483333
Total energy: -36.084924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.084924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.084924 (E_RNA)
where:
Base-Base interactions energy: -1.154
where: short stacking energy: -0.550
Base-Backbone interact. energy: -0.202
local terms energy: -34.728935
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -2.686
tors. eta vs tors. theta energy: 7.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 404
Temperature: 2.500000
Total energy: -36.798646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.798646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.798646 (E_RNA)
where:
Base-Base interactions energy: -6.838
where: short stacking energy: -5.588
Base-Backbone interact. energy: 0.342
local terms energy: -30.303410
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -3.802
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: 7.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 405
Temperature: 2.350000
Total energy: -37.335624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.335624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.335624 (E_RNA)
where:
Base-Base interactions energy: -4.822
where: short stacking energy: -4.494
Base-Backbone interact. energy: 1.176
local terms energy: -33.689961
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -4.268
tors. eta vs tors. theta energy: 5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 405
Temperature: 2.366667
Total energy: -34.213564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.213564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.213564 (E_RNA)
where:
Base-Base interactions energy: -3.400
where: short stacking energy: -1.388
Base-Backbone interact. energy: 1.108
local terms energy: -31.921113
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -8.292
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: 10.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 405
Temperature: 2.383333
Total energy: -38.730885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.730885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.730885 (E_RNA)
where:
Base-Base interactions energy: -1.490
where: short stacking energy: -1.490
Base-Backbone interact. energy: -0.164
local terms energy: -37.076464
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -9.202
flat angles P-C4'-P energy: -3.747
tors. eta vs tors. theta energy: 7.065
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: 2
=====================================
Write number: 405
Temperature: 2.400000
Total energy: -32.526860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.526860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.526860 (E_RNA)
where:
Base-Base interactions energy: -6.552
where: short stacking energy: -4.931
Base-Backbone interact. energy: -0.018
local terms energy: -25.957069
where:
bonds (distance) C4'-P energy: -7.044
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -0.682
tors. eta vs tors. theta energy: 7.356
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: 9
=====================================
Write number: 405
Temperature: 2.416667
Total energy: -41.415964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.415964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.415964 (E_RNA)
where:
Base-Base interactions energy: -9.183
where: short stacking energy: -7.839
Base-Backbone interact. energy: -1.120
local terms energy: -31.112823
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -7.853
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: 10.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 2.433333
Total energy: -37.468545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.468545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.468545 (E_RNA)
where:
Base-Base interactions energy: -5.008
where: short stacking energy: -4.599
Base-Backbone interact. energy: 5.421
local terms energy: -37.881095
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -4.483
tors. eta vs tors. theta energy: 4.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 405
Temperature: 2.450000
Total energy: -37.361231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.361231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.361231 (E_RNA)
where:
Base-Base interactions energy: -4.181
where: short stacking energy: -2.553
Base-Backbone interact. energy: 0.046
local terms energy: -33.225559
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: 0.514
tors. eta vs tors. theta energy: 8.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 2.466667
Total energy: -36.384492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.384492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.384492 (E_RNA)
where:
Base-Base interactions energy: -14.989
where: short stacking energy: -10.013
Base-Backbone interact. energy: 0.954
local terms energy: -22.350125
where:
bonds (distance) C4'-P energy: -6.353
bonds (distance) P-C4' energy: -9.810
flat angles C4'-P-C4' energy: -5.210
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: 6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 405
Temperature: 2.483333
Total energy: -33.480076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.480076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.480076 (E_RNA)
where:
Base-Base interactions energy: -15.949
where: short stacking energy: -14.421
Base-Backbone interact. energy: -0.240
local terms energy: -17.291290
where:
bonds (distance) C4'-P energy: -10.258
bonds (distance) P-C4' energy: -9.888
flat angles C4'-P-C4' energy: -0.212
flat angles P-C4'-P energy: -4.268
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: 10, replica: 8
=====================================
Write number: 405
Temperature: 2.500000
Total energy: -34.027231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.027231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.027231 (E_RNA)
where:
Base-Base interactions energy: -4.333
where: short stacking energy: -3.547
Base-Backbone interact. energy: -0.178
local terms energy: -29.516405
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -3.558
tors. eta vs tors. theta energy: 12.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 406
Temperature: 2.350000
Total energy: -40.011096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.011096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.011096 (E_RNA)
where:
Base-Base interactions energy: -13.089
where: short stacking energy: -1.508
Base-Backbone interact. energy: -0.233
local terms energy: -26.689038
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: 3.140
flat angles P-C4'-P energy: -4.974
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: 2, replica: 7
=====================================
Write number: 406
Temperature: 2.366667
Total energy: -43.199638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.199638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.199638 (E_RNA)
where:
Base-Base interactions energy: -4.199
where: short stacking energy: -4.699
Base-Backbone interact. energy: 1.171
local terms energy: -40.171888
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -7.915
flat angles C4'-P-C4' energy: -7.998
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 2.383333
Total energy: -42.245988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.245988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.245988 (E_RNA)
where:
Base-Base interactions energy: -9.109
where: short stacking energy: -6.893
Base-Backbone interact. energy: -0.536
local terms energy: -32.601237
where:
bonds (distance) C4'-P energy: -8.634
bonds (distance) P-C4' energy: -7.699
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -9.085
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: 4, replica: 10
=====================================
Write number: 406
Temperature: 2.400000
Total energy: -35.023294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.023294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.023294 (E_RNA)
where:
Base-Base interactions energy: -4.861
where: short stacking energy: -2.833
Base-Backbone interact. energy: -0.226
local terms energy: -29.935531
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -3.891
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: 9.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 406
Temperature: 2.416667
Total energy: -41.528095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.528095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.528095 (E_RNA)
where:
Base-Base interactions energy: -5.619
where: short stacking energy: -6.312
Base-Backbone interact. energy: -0.487
local terms energy: -35.421678
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: 7.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 2.433333
Total energy: -39.364267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.364267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.364267 (E_RNA)
where:
Base-Base interactions energy: -10.606
where: short stacking energy: -6.290
Base-Backbone interact. energy: -1.312
local terms energy: -27.445574
where:
bonds (distance) C4'-P energy: -6.624
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -6.723
flat angles P-C4'-P energy: -4.161
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: 7, replica: 4
=====================================
Write number: 406
Temperature: 2.450000
Total energy: -42.081238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.081238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.081238 (E_RNA)
where:
Base-Base interactions energy: -6.790
where: short stacking energy: -4.398
Base-Backbone interact. energy: -0.381
local terms energy: -34.910283
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: 8.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 406
Temperature: 2.466667
Total energy: -36.086359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.086359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.086359 (E_RNA)
where:
Base-Base interactions energy: -4.909
where: short stacking energy: -4.128
Base-Backbone interact. energy: 0.879
local terms energy: -32.056754
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -5.370
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: 5.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 406
Temperature: 2.483333
Total energy: -35.994361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.994361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.994361 (E_RNA)
where:
Base-Base interactions energy: -7.126
where: short stacking energy: -7.826
Base-Backbone interact. energy: -0.066
local terms energy: -28.802146
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -8.706
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: 10.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 2.500000
Total energy: -31.154304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.154304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.154304 (E_RNA)
where:
Base-Base interactions energy: -14.587
where: short stacking energy: -11.456
Base-Backbone interact. energy: -0.364
local terms energy: -16.203890
where:
bonds (distance) C4'-P energy: -2.372
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: 3.417
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: 5.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 407
Temperature: 2.350000
Total energy: -36.851209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.851209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.851209 (E_RNA)
where:
Base-Base interactions energy: -6.815
where: short stacking energy: -6.622
Base-Backbone interact. energy: -0.216
local terms energy: -29.819742
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -0.777
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: 2, replica: 2
=====================================
Write number: 407
Temperature: 2.366667
Total energy: -39.294863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.294863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.294863 (E_RNA)
where:
Base-Base interactions energy: -8.820
where: short stacking energy: -6.666
Base-Backbone interact. energy: -0.858
local terms energy: -29.617008
where:
bonds (distance) C4'-P energy: -8.934
bonds (distance) P-C4' energy: -8.887
flat angles C4'-P-C4' energy: -8.160
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: 2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 407
Temperature: 2.383333
Total energy: -36.628700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.628700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.628700 (E_RNA)
where:
Base-Base interactions energy: -16.760
where: short stacking energy: -13.117
Base-Backbone interact. energy: 2.534
local terms energy: -22.403132
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -5.710
flat angles C4'-P-C4' energy: -5.540
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: 8.383
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: 5
=====================================
Write number: 407
Temperature: 2.400000
Total energy: -38.870790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.870790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.870790 (E_RNA)
where:
Base-Base interactions energy: -6.982
where: short stacking energy: -4.998
Base-Backbone interact. energy: 1.785
local terms energy: -33.673912
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: 9.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 407
Temperature: 2.416667
Total energy: -35.310097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.310097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.310097 (E_RNA)
where:
Base-Base interactions energy: -3.823
where: short stacking energy: -1.534
Base-Backbone interact. energy: -0.242
local terms energy: -31.245272
where:
bonds (distance) C4'-P energy: -8.290
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -0.970
tors. eta vs tors. theta energy: 8.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 407
Temperature: 2.433333
Total energy: -41.911794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.911794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.911794 (E_RNA)
where:
Base-Base interactions energy: -3.769
where: short stacking energy: -3.769
Base-Backbone interact. energy: -0.452
local terms energy: -37.689950
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: 7.109
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: 9
=====================================
Write number: 407
Temperature: 2.450000
Total energy: -40.241695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.241695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.241695 (E_RNA)
where:
Base-Base interactions energy: -6.647
where: short stacking energy: -6.647
Base-Backbone interact. energy: -0.280
local terms energy: -33.314508
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -7.654
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: 10.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 407
Temperature: 2.466667
Total energy: -35.733764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.733764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.733764 (E_RNA)
where:
Base-Base interactions energy: -10.063
where: short stacking energy: -9.726
Base-Backbone interact. energy: -0.660
local terms energy: -25.011354
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -8.601
flat angles P-C4'-P energy: -2.538
tors. eta vs tors. theta energy: 8.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 407
Temperature: 2.483333
Total energy: -35.340594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.340594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.340594 (E_RNA)
where:
Base-Base interactions energy: -6.769
where: short stacking energy: -5.432
Base-Backbone interact. energy: 0.791
local terms energy: -29.362642
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -6.416
flat angles C4'-P-C4' energy: -9.080
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: 9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 2.500000
Total energy: -39.565951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.565951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.565951 (E_RNA)
where:
Base-Base interactions energy: -10.152
where: short stacking energy: -9.764
Base-Backbone interact. energy: -0.151
local terms energy: -29.262512
where:
bonds (distance) C4'-P energy: -10.210
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -2.578
flat angles P-C4'-P energy: -3.960
tors. eta vs tors. theta energy: 1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 2.350000
Total energy: -38.511585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.511585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.511585 (E_RNA)
where:
Base-Base interactions energy: -4.062
where: short stacking energy: -2.372
Base-Backbone interact. energy: -0.217
local terms energy: -34.232787
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -2.725
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: 6.225
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: 6
=====================================
Write number: 408
Temperature: 2.366667
Total energy: -39.289163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.289163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.289163 (E_RNA)
where:
Base-Base interactions energy: -2.846
where: short stacking energy: -6.254
Base-Backbone interact. energy: -0.906
local terms energy: -35.536935
where:
bonds (distance) C4'-P energy: -8.841
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: 5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 408
Temperature: 2.383333
Total energy: -38.111558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.111558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.111558 (E_RNA)
where:
Base-Base interactions energy: -8.960
where: short stacking energy: -5.374
Base-Backbone interact. energy: -0.365
local terms energy: -28.786743
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -9.277
flat angles P-C4'-P energy: 3.307
tors. eta vs tors. theta energy: 5.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 408
Temperature: 2.400000
Total energy: -44.399927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.399927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.399927 (E_RNA)
where:
Base-Base interactions energy: -9.597
where: short stacking energy: -7.574
Base-Backbone interact. energy: -0.437
local terms energy: -34.365561
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -1.056
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: 5, replica: 4
=====================================
Write number: 408
Temperature: 2.416667
Total energy: -39.167513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.167513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.167513 (E_RNA)
where:
Base-Base interactions energy: -3.653
where: short stacking energy: -3.653
Base-Backbone interact. energy: -0.290
local terms energy: -35.224586
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -3.008
tors. eta vs tors. theta energy: 8.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 408
Temperature: 2.433333
Total energy: -31.100224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.100224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.100224 (E_RNA)
where:
Base-Base interactions energy: -9.099
where: short stacking energy: -5.277
Base-Backbone interact. energy: 2.652
local terms energy: -24.653213
where:
bonds (distance) C4'-P energy: -7.135
bonds (distance) P-C4' energy: -9.534
flat angles C4'-P-C4' energy: -6.880
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: 7.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 408
Temperature: 2.450000
Total energy: -36.806750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.806750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.806750 (E_RNA)
where:
Base-Base interactions energy: -12.321
where: short stacking energy: -12.321
Base-Backbone interact. energy: -0.256
local terms energy: -24.229601
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -7.053
flat angles P-C4'-P energy: 0.843
tors. eta vs tors. theta energy: 6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 408
Temperature: 2.466667
Total energy: -37.796851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.796851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.796851 (E_RNA)
where:
Base-Base interactions energy: -4.636
where: short stacking energy: -4.636
Base-Backbone interact. energy: -0.309
local terms energy: -32.851203
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -6.477
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: 4.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 408
Temperature: 2.483333
Total energy: -33.896820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.896820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.896820 (E_RNA)
where:
Base-Base interactions energy: -9.073
where: short stacking energy: -6.941
Base-Backbone interact. energy: -0.330
local terms energy: -24.493587
where:
bonds (distance) C4'-P energy: -6.915
bonds (distance) P-C4' energy: -9.651
flat angles C4'-P-C4' energy: -8.657
flat angles P-C4'-P energy: -3.059
tors. eta vs tors. theta energy: 3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 2.500000
Total energy: -32.545334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.545334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.545334 (E_RNA)
where:
Base-Base interactions energy: -6.728
where: short stacking energy: -6.728
Base-Backbone interact. energy: -0.270
local terms energy: -25.547505
where:
bonds (distance) C4'-P energy: -3.947
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: 1.915
tors. eta vs tors. theta energy: 7.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 2.350000
Total energy: -39.814823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.814823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.814823 (E_RNA)
where:
Base-Base interactions energy: -9.724
where: short stacking energy: -7.452
Base-Backbone interact. energy: -0.084
local terms energy: -30.007433
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -6.978
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: 11.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 409
Temperature: 2.366667
Total energy: -47.135340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.135340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.135340 (E_RNA)
where:
Base-Base interactions energy: -9.954
where: short stacking energy: -7.767
Base-Backbone interact. energy: -0.275
local terms energy: -36.907121
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -2.516
tors. eta vs tors. theta energy: 7.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 409
Temperature: 2.383333
Total energy: -40.883709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.883709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.883709 (E_RNA)
where:
Base-Base interactions energy: -10.196
where: short stacking energy: -9.581
Base-Backbone interact. energy: 1.892
local terms energy: -32.579968
where:
bonds (distance) C4'-P energy: -8.327
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -5.901
flat angles P-C4'-P energy: -4.584
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: 4, replica: 4
=====================================
Write number: 409
Temperature: 2.400000
Total energy: -38.167645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.167645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.167645 (E_RNA)
where:
Base-Base interactions energy: -9.756
where: short stacking energy: -7.357
Base-Backbone interact. energy: 3.380
local terms energy: -31.791585
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -2.719
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: 5, replica: 7
=====================================
Write number: 409
Temperature: 2.416667
Total energy: -36.294688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.294688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.294688 (E_RNA)
where:
Base-Base interactions energy: -8.423
where: short stacking energy: -7.599
Base-Backbone interact. energy: -0.594
local terms energy: -27.277716
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -1.691
tors. eta vs tors. theta energy: 6.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 409
Temperature: 2.433333
Total energy: -39.652802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.652802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.652802 (E_RNA)
where:
Base-Base interactions energy: -5.826
where: short stacking energy: -4.143
Base-Backbone interact. energy: -0.307
local terms energy: -33.520049
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: 10.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 409
Temperature: 2.450000
Total energy: -33.041673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.041673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.041673 (E_RNA)
where:
Base-Base interactions energy: -6.940
where: short stacking energy: -6.940
Base-Backbone interact. energy: -0.156
local terms energy: -25.945358
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -8.328
flat angles C4'-P-C4' energy: -4.716
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: 7.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 409
Temperature: 2.466667
Total energy: -41.871690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.871690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.871690 (E_RNA)
where:
Base-Base interactions energy: -11.924
where: short stacking energy: -9.556
Base-Backbone interact. energy: -0.232
local terms energy: -29.715411
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: 2.408
tors. eta vs tors. theta energy: 8.622
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: 409
Temperature: 2.483333
Total energy: -40.080264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.080264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.080264 (E_RNA)
where:
Base-Base interactions energy: -4.911
where: short stacking energy: -2.496
Base-Backbone interact. energy: -0.245
local terms energy: -34.924489
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -9.823
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: 8.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 409
Temperature: 2.500000
Total energy: -31.473085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.473085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.473085 (E_RNA)
where:
Base-Base interactions energy: -11.047
where: short stacking energy: -9.108
Base-Backbone interact. energy: -0.392
local terms energy: -20.033973
where:
bonds (distance) C4'-P energy: -7.582
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -1.728
tors. eta vs tors. theta energy: 10.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 410
Temperature: 2.350000
Total energy: -36.373056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.373056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.373056 (E_RNA)
where:
Base-Base interactions energy: -3.239
where: short stacking energy: -2.909
Base-Backbone interact. energy: -0.120
local terms energy: -33.013712
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -5.806
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: 9.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 2.366667
Total energy: -38.615589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.615589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.615589 (E_RNA)
where:
Base-Base interactions energy: -5.013
where: short stacking energy: -3.073
Base-Backbone interact. energy: -0.399
local terms energy: -33.203600
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: 11.172
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: 4
=====================================
Write number: 410
Temperature: 2.383333
Total energy: -35.813762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.813762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.813762 (E_RNA)
where:
Base-Base interactions energy: -13.584
where: short stacking energy: -12.308
Base-Backbone interact. energy: -0.421
local terms energy: -21.809416
where:
bonds (distance) C4'-P energy: -0.278
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: 2.078
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: 4, replica: 6
=====================================
Write number: 410
Temperature: 2.400000
Total energy: -36.603764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.603764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.603764 (E_RNA)
where:
Base-Base interactions energy: -5.482
where: short stacking energy: -5.226
Base-Backbone interact. energy: -0.655
local terms energy: -30.467084
where:
bonds (distance) C4'-P energy: -6.527
bonds (distance) P-C4' energy: -8.564
flat angles C4'-P-C4' energy: -7.760
flat angles P-C4'-P energy: -9.029
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: 5, replica: 8
=====================================
Write number: 410
Temperature: 2.416667
Total energy: -38.506231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.506231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.506231 (E_RNA)
where:
Base-Base interactions energy: -6.324
where: short stacking energy: -6.324
Base-Backbone interact. energy: -0.083
local terms energy: -32.099030
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -5.642
flat angles P-C4'-P energy: -3.336
tors. eta vs tors. theta energy: 6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 410
Temperature: 2.433333
Total energy: -34.807196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.807196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.807196 (E_RNA)
where:
Base-Base interactions energy: -3.815
where: short stacking energy: -2.983
Base-Backbone interact. energy: 0.389
local terms energy: -31.381677
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -7.740
flat angles P-C4'-P energy: -4.595
tors. eta vs tors. theta energy: 8.028
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: 3
=====================================
Write number: 410
Temperature: 2.450000
Total energy: -37.424427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.424427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.424427 (E_RNA)
where:
Base-Base interactions energy: -12.859
where: short stacking energy: -12.665
Base-Backbone interact. energy: 0.653
local terms energy: -25.218543
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -7.609
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -1.843
tors. eta vs tors. theta energy: 10.872
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: 410
Temperature: 2.466667
Total energy: -37.409749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.409749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.409749 (E_RNA)
where:
Base-Base interactions energy: -7.877
where: short stacking energy: -7.696
Base-Backbone interact. energy: 0.274
local terms energy: -29.806098
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -4.642
flat angles P-C4'-P energy: -1.921
tors. eta vs tors. theta energy: 7.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 410
Temperature: 2.483333
Total energy: -34.594400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.594400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.594400 (E_RNA)
where:
Base-Base interactions energy: -3.831
where: short stacking energy: -3.479
Base-Backbone interact. energy: -0.565
local terms energy: -30.198756
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -8.560
flat angles C4'-P-C4' energy: -7.101
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: 1.894
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: 9
=====================================
Write number: 410
Temperature: 2.500000
Total energy: -39.717115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.717115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.717115 (E_RNA)
where:
Base-Base interactions energy: -2.800
where: short stacking energy: -2.214
Base-Backbone interact. energy: -0.147
local terms energy: -36.769518
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -9.655
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: 8.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 411
Temperature: 2.350000
Total energy: -43.111515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.111515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.111515 (E_RNA)
where:
Base-Base interactions energy: -8.946
where: short stacking energy: -7.838
Base-Backbone interact. energy: 0.854
local terms energy: -35.019876
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -4.949
flat angles P-C4'-P energy: -3.994
tors. eta vs tors. theta energy: 6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 411
Temperature: 2.366667
Total energy: -36.811061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.811061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.811061 (E_RNA)
where:
Base-Base interactions energy: -8.573
where: short stacking energy: -5.557
Base-Backbone interact. energy: -0.203
local terms energy: -28.034869
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -3.342
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: 9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 2.383333
Total energy: -43.857938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.857938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.857938 (E_RNA)
where:
Base-Base interactions energy: -14.780
where: short stacking energy: -10.619
Base-Backbone interact. energy: -0.253
local terms energy: -28.824206
where:
bonds (distance) C4'-P energy: -8.943
bonds (distance) P-C4' energy: -10.711
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -2.035
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: 4, replica: 8
=====================================
Write number: 411
Temperature: 2.400000
Total energy: -35.438297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.438297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.438297 (E_RNA)
where:
Base-Base interactions energy: -7.978
where: short stacking energy: -7.978
Base-Backbone interact. energy: -0.326
local terms energy: -27.134178
where:
bonds (distance) C4'-P energy: -9.564
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -5.725
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: 6.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 411
Temperature: 2.416667
Total energy: -41.453108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.453108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.453108 (E_RNA)
where:
Base-Base interactions energy: -5.999
where: short stacking energy: -5.519
Base-Backbone interact. energy: 1.575
local terms energy: -37.029592
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -10.499
flat angles P-C4'-P energy: 1.703
tors. eta vs tors. theta energy: 4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 411
Temperature: 2.433333
Total energy: -36.433935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.433935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.433935 (E_RNA)
where:
Base-Base interactions energy: -5.099
where: short stacking energy: -5.099
Base-Backbone interact. energy: 2.984
local terms energy: -34.318890
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -10.077
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -3.927
tors. eta vs tors. theta energy: 6.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 411
Temperature: 2.450000
Total energy: -33.700113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.700113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.700113 (E_RNA)
where:
Base-Base interactions energy: -6.903
where: short stacking energy: -3.488
Base-Backbone interact. energy: 0.460
local terms energy: -27.257056
where:
bonds (distance) C4'-P energy: -8.465
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -6.792
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: 8.217
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: 8, replica: 1
=====================================
Write number: 411
Temperature: 2.466667
Total energy: -34.274829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.274829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.274829 (E_RNA)
where:
Base-Base interactions energy: -13.536
where: short stacking energy: -11.445
Base-Backbone interact. energy: 1.743
local terms energy: -22.481761
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -1.356
flat angles P-C4'-P energy: -4.795
tors. eta vs tors. theta energy: 3.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 411
Temperature: 2.483333
Total energy: -32.514095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.514095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.514095 (E_RNA)
where:
Base-Base interactions energy: -8.460
where: short stacking energy: -3.492
Base-Backbone interact. energy: -0.905
local terms energy: -23.148817
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -9.164
flat angles C4'-P-C4' energy: -2.202
flat angles P-C4'-P energy: -1.623
tors. eta vs tors. theta energy: 2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 2.500000
Total energy: -38.482156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.482156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.482156 (E_RNA)
where:
Base-Base interactions energy: -6.243
where: short stacking energy: -6.760
Base-Backbone interact. energy: -0.437
local terms energy: -31.802921
where:
bonds (distance) C4'-P energy: -8.715
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -5.027
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: 6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 2.350000
Total energy: -34.423248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.423248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.423248 (E_RNA)
where:
Base-Base interactions energy: -7.522
where: short stacking energy: -7.522
Base-Backbone interact. energy: -0.241
local terms energy: -26.660123
where:
bonds (distance) C4'-P energy: -8.424
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -3.424
flat angles P-C4'-P energy: -5.509
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: 2, replica: 5
=====================================
Write number: 412
Temperature: 2.366667
Total energy: -42.059801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.059801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.059801 (E_RNA)
where:
Base-Base interactions energy: -5.504
where: short stacking energy: -4.413
Base-Backbone interact. energy: -0.467
local terms energy: -36.088290
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: 11.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 412
Temperature: 2.383333
Total energy: -34.328908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.328908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.328908 (E_RNA)
where:
Base-Base interactions energy: -6.133
where: short stacking energy: -5.652
Base-Backbone interact. energy: -0.247
local terms energy: -27.948261
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -6.186
flat angles P-C4'-P energy: -3.990
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: 4, replica: 2
=====================================
Write number: 412
Temperature: 2.400000
Total energy: -34.508252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.508252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.508252 (E_RNA)
where:
Base-Base interactions energy: -10.762
where: short stacking energy: -9.627
Base-Backbone interact. energy: -0.207
local terms energy: -23.539050
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -4.251
flat angles C4'-P-C4' energy: -7.419
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: 9.834
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: 3
=====================================
Write number: 412
Temperature: 2.416667
Total energy: -40.224816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.224816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.224816 (E_RNA)
where:
Base-Base interactions energy: -14.767
where: short stacking energy: -8.562
Base-Backbone interact. energy: 0.454
local terms energy: -25.911186
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -2.515
flat angles P-C4'-P energy: -3.372
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: 6, replica: 6
=====================================
Write number: 412
Temperature: 2.433333
Total energy: -37.540831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.540831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.540831 (E_RNA)
where:
Base-Base interactions energy: -6.785
where: short stacking energy: -4.908
Base-Backbone interact. energy: 0.049
local terms energy: -30.804996
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -9.388
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: 13.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 412
Temperature: 2.450000
Total energy: -35.501242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.501242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.501242 (E_RNA)
where:
Base-Base interactions energy: -5.009
where: short stacking energy: -4.376
Base-Backbone interact. energy: -0.059
local terms energy: -30.433713
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -8.084
flat angles C4'-P-C4' energy: -5.675
flat angles P-C4'-P energy: -3.887
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: 8, replica: 7
=====================================
Write number: 412
Temperature: 2.466667
Total energy: -43.399556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.399556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.399556 (E_RNA)
where:
Base-Base interactions energy: -7.265
where: short stacking energy: -6.577
Base-Backbone interact. energy: 3.126
local terms energy: -39.260158
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -2.279
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 412
Temperature: 2.483333
Total energy: -35.365928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.365928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.365928 (E_RNA)
where:
Base-Base interactions energy: 0.159
where: short stacking energy: -0.041
Base-Backbone interact. energy: 3.385
local terms energy: -38.910008
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: 11.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 412
Temperature: 2.500000
Total energy: -33.721287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.721287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.721287 (E_RNA)
where:
Base-Base interactions energy: -2.342
where: short stacking energy: -2.342
Base-Backbone interact. energy: 0.881
local terms energy: -32.260713
where:
bonds (distance) C4'-P energy: -7.897
bonds (distance) P-C4' energy: -5.793
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: 2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 2.350000
Total energy: -52.645126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.645126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.645126 (E_RNA)
where:
Base-Base interactions energy: -15.842
where: short stacking energy: -14.597
Base-Backbone interact. energy: 1.338
local terms energy: -38.141814
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -9.703
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -8.167
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: 2, replica: 8
=====================================
Write number: 413
Temperature: 2.366667
Total energy: -36.457965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.457965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.457965 (E_RNA)
where:
Base-Base interactions energy: -1.134
where: short stacking energy: -1.905
Base-Backbone interact. energy: -0.605
local terms energy: -34.718744
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: 7.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 413
Temperature: 2.383333
Total energy: -38.286637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.286637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.286637 (E_RNA)
where:
Base-Base interactions energy: -8.600
where: short stacking energy: -8.024
Base-Backbone interact. energy: -0.311
local terms energy: -29.376354
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -7.787
flat angles P-C4'-P energy: -0.682
tors. eta vs tors. theta energy: 7.222
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: 4, replica: 3
=====================================
Write number: 413
Temperature: 2.400000
Total energy: -39.510946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.510946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.510946 (E_RNA)
where:
Base-Base interactions energy: -10.325
where: short stacking energy: -9.684
Base-Backbone interact. energy: 0.394
local terms energy: -29.579930
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: 8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 413
Temperature: 2.416667
Total energy: -39.654951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.654951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.654951 (E_RNA)
where:
Base-Base interactions energy: -4.341
where: short stacking energy: -4.341
Base-Backbone interact. energy: 0.319
local terms energy: -35.632906
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -9.550
flat angles P-C4'-P energy: 4.006
tors. eta vs tors. theta energy: 0.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 413
Temperature: 2.433333
Total energy: -36.941435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.941435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.941435 (E_RNA)
where:
Base-Base interactions energy: -6.185
where: short stacking energy: -4.783
Base-Backbone interact. energy: -0.512
local terms energy: -30.243702
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -4.259
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: 7.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 413
Temperature: 2.450000
Total energy: -33.813299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.813299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.813299 (E_RNA)
where:
Base-Base interactions energy: -5.590
where: short stacking energy: -4.480
Base-Backbone interact. energy: 0.435
local terms energy: -28.658331
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -5.081
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: 4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 413
Temperature: 2.466667
Total energy: -35.372363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.372363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.372363 (E_RNA)
where:
Base-Base interactions energy: -7.411
where: short stacking energy: -6.065
Base-Backbone interact. energy: 1.120
local terms energy: -29.081678
where:
bonds (distance) C4'-P energy: -6.022
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: 5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 2.483333
Total energy: -38.019032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.019032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.019032 (E_RNA)
where:
Base-Base interactions energy: -6.201
where: short stacking energy: -7.180
Base-Backbone interact. energy: 5.120
local terms energy: -36.938676
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -8.141
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: 5.709
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: 10
=====================================
Write number: 413
Temperature: 2.500000
Total energy: -39.060366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.060366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.060366 (E_RNA)
where:
Base-Base interactions energy: -4.763
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.305
local terms energy: -33.992051
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: 11.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 414
Temperature: 2.350000
Total energy: -37.622104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.622104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.622104 (E_RNA)
where:
Base-Base interactions energy: -4.074
where: short stacking energy: -1.598
Base-Backbone interact. energy: -0.203
local terms energy: -33.345144
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -5.157
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: 2, replica: 4
=====================================
Write number: 414
Temperature: 2.366667
Total energy: -38.467726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.467726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.467726 (E_RNA)
where:
Base-Base interactions energy: -10.831
where: short stacking energy: -10.831
Base-Backbone interact. energy: 0.364
local terms energy: -28.001505
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -8.721
flat angles P-C4'-P energy: -0.689
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: 3, replica: 3
=====================================
Write number: 414
Temperature: 2.383333
Total energy: -40.872676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.872676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.872676 (E_RNA)
where:
Base-Base interactions energy: -11.098
where: short stacking energy: -10.251
Base-Backbone interact. energy: -0.376
local terms energy: -29.398668
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -3.696
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: 10.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 414
Temperature: 2.400000
Total energy: -34.763158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.763158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.763158 (E_RNA)
where:
Base-Base interactions energy: -17.994
where: short stacking energy: -15.656
Base-Backbone interact. energy: 0.207
local terms energy: -16.975937
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -6.012
flat angles C4'-P-C4' energy: -6.732
flat angles P-C4'-P energy: -0.900
tors. eta vs tors. theta energy: 6.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 414
Temperature: 2.416667
Total energy: -42.741197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.741197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.741197 (E_RNA)
where:
Base-Base interactions energy: -13.091
where: short stacking energy: -8.764
Base-Backbone interact. energy: -0.081
local terms energy: -29.568555
where:
bonds (distance) C4'-P energy: -8.042
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -4.902
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: 8.057
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: 6, replica: 2
=====================================
Write number: 414
Temperature: 2.433333
Total energy: -41.605965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.605965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.605965 (E_RNA)
where:
Base-Base interactions energy: -11.110
where: short stacking energy: -8.821
Base-Backbone interact. energy: 3.136
local terms energy: -33.632145
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -2.926
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: 9
=====================================
Write number: 414
Temperature: 2.450000
Total energy: -34.211206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.211206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.211206 (E_RNA)
where:
Base-Base interactions energy: -10.056
where: short stacking energy: -7.004
Base-Backbone interact. energy: 0.453
local terms energy: -24.608368
where:
bonds (distance) C4'-P energy: -9.140
bonds (distance) P-C4' energy: -4.678
flat angles C4'-P-C4' energy: -9.516
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: 6.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 2.466667
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: -5.572
where: short stacking energy: -5.572
Base-Backbone interact. energy: -0.255
local terms energy: -34.194901
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -7.452
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: 5.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 414
Temperature: 2.483333
Total energy: -33.810009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.810009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.810009 (E_RNA)
where:
Base-Base interactions energy: -13.707
where: short stacking energy: -12.667
Base-Backbone interact. energy: -0.160
local terms energy: -19.943307
where:
bonds (distance) C4'-P energy: -4.819
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -1.652
flat angles P-C4'-P energy: -1.416
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: 10, replica: 7
=====================================
Write number: 414
Temperature: 2.500000
Total energy: -30.857167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.857167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.857167 (E_RNA)
where:
Base-Base interactions energy: -1.139
where: short stacking energy: -1.783
Base-Backbone interact. energy: 4.414
local terms energy: -34.131986
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -7.425
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: 7.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 415
Temperature: 2.350000
Total energy: -38.715220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.715220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.715220 (E_RNA)
where:
Base-Base interactions energy: -7.399
where: short stacking energy: -5.857
Base-Backbone interact. energy: -0.248
local terms energy: -31.068209
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: 0.601
tors. eta vs tors. theta energy: 6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 415
Temperature: 2.366667
Total energy: -35.564560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.564560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.564560 (E_RNA)
where:
Base-Base interactions energy: -5.460
where: short stacking energy: -5.460
Base-Backbone interact. energy: -0.772
local terms energy: -29.332496
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -2.642
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: 8.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 415
Temperature: 2.383333
Total energy: -37.980164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.980164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.980164 (E_RNA)
where:
Base-Base interactions energy: -6.032
where: short stacking energy: -6.032
Base-Backbone interact. energy: -0.636
local terms energy: -31.312188
where:
bonds (distance) C4'-P energy: -9.049
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: 9.803
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: 1
=====================================
Write number: 415
Temperature: 2.400000
Total energy: -38.882122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.882122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.882122 (E_RNA)
where:
Base-Base interactions energy: -8.078
where: short stacking energy: -8.078
Base-Backbone interact. energy: -0.337
local terms energy: -30.467601
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -6.913
flat angles P-C4'-P energy: -1.350
tors. eta vs tors. theta energy: 8.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 2.416667
Total energy: -38.107618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.107618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.107618 (E_RNA)
where:
Base-Base interactions energy: -6.071
where: short stacking energy: -5.669
Base-Backbone interact. energy: -0.324
local terms energy: -31.712021
where:
bonds (distance) C4'-P energy: -6.713
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -6.119
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: 6.078
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: 9
=====================================
Write number: 415
Temperature: 2.433333
Total energy: -41.801555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.801555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.801555 (E_RNA)
where:
Base-Base interactions energy: -1.147
where: short stacking energy: -1.247
Base-Backbone interact. energy: -0.256
local terms energy: -40.398512
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -3.650
tors. eta vs tors. theta energy: 8.078
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: 2
=====================================
Write number: 415
Temperature: 2.450000
Total energy: -35.989234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.989234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.989234 (E_RNA)
where:
Base-Base interactions energy: -1.739
where: short stacking energy: -0.632
Base-Backbone interact. energy: -0.633
local terms energy: -33.617583
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -8.168
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: 9.520
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: 10
=====================================
Write number: 415
Temperature: 2.466667
Total energy: -40.172402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.172402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.172402 (E_RNA)
where:
Base-Base interactions energy: -13.555
where: short stacking energy: -12.084
Base-Backbone interact. energy: 3.463
local terms energy: -30.081202
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -8.299
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: 9.848
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: 6
=====================================
Write number: 415
Temperature: 2.483333
Total energy: -35.648887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.648887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.648887 (E_RNA)
where:
Base-Base interactions energy: -2.779
where: short stacking energy: -2.045
Base-Backbone interact. energy: 1.530
local terms energy: -34.400247
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -8.807
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: 12.523
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: 10, replica: 7
=====================================
Write number: 415
Temperature: 2.500000
Total energy: -37.714329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.714329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.714329 (E_RNA)
where:
Base-Base interactions energy: -6.229
where: short stacking energy: -5.824
Base-Backbone interact. energy: 1.189
local terms energy: -32.673706
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: 6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 416
Temperature: 2.350000
Total energy: -38.717931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.717931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.717931 (E_RNA)
where:
Base-Base interactions energy: -1.754
where: short stacking energy: -1.754
Base-Backbone interact. energy: -0.129
local terms energy: -36.835411
where:
bonds (distance) C4'-P energy: -7.260
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -8.590
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: 8
=====================================
Write number: 416
Temperature: 2.366667
Total energy: -40.042739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.042739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.042739 (E_RNA)
where:
Base-Base interactions energy: -3.551
where: short stacking energy: -3.551
Base-Backbone interact. energy: 2.754
local terms energy: -39.245312
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -7.836
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: 11.355
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: 1
=====================================
Write number: 416
Temperature: 2.383333
Total energy: -36.765966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.765966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.765966 (E_RNA)
where:
Base-Base interactions energy: -12.362
where: short stacking energy: -9.687
Base-Backbone interact. energy: -0.334
local terms energy: -24.069951
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -3.255
tors. eta vs tors. theta energy: 12.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 2.400000
Total energy: -41.048282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.048282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.048282 (E_RNA)
where:
Base-Base interactions energy: -14.011
where: short stacking energy: -12.921
Base-Backbone interact. energy: 1.360
local terms energy: -28.396853
where:
bonds (distance) C4'-P energy: -6.829
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -6.970
flat angles P-C4'-P energy: -6.966
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: 5, replica: 9
=====================================
Write number: 416
Temperature: 2.416667
Total energy: -35.148602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.148602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.148602 (E_RNA)
where:
Base-Base interactions energy: -10.108
where: short stacking energy: -9.587
Base-Backbone interact. energy: -0.448
local terms energy: -24.592413
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -2.121
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: 9.702
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: 5
=====================================
Write number: 416
Temperature: 2.433333
Total energy: -35.472098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.472098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.472098 (E_RNA)
where:
Base-Base interactions energy: -5.628
where: short stacking energy: -3.361
Base-Backbone interact. energy: -0.735
local terms energy: -29.109130
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -8.860
flat angles P-C4'-P energy: -1.582
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: 7, replica: 10
=====================================
Write number: 416
Temperature: 2.450000
Total energy: -40.985587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.985587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.985587 (E_RNA)
where:
Base-Base interactions energy: -9.659
where: short stacking energy: -8.261
Base-Backbone interact. energy: 0.124
local terms energy: -31.449672
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -9.400
flat angles P-C4'-P energy: -0.997
tors. eta vs tors. theta energy: 4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 416
Temperature: 2.466667
Total energy: -36.895477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.895477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.895477 (E_RNA)
where:
Base-Base interactions energy: -7.442
where: short stacking energy: -7.442
Base-Backbone interact. energy: 1.024
local terms energy: -30.477094
where:
bonds (distance) C4'-P energy: -5.898
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: 2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 416
Temperature: 2.483333
Total energy: -42.772199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.772199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.772199 (E_RNA)
where:
Base-Base interactions energy: -7.194
where: short stacking energy: -5.531
Base-Backbone interact. energy: -0.431
local terms energy: -35.146811
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -8.148
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: 8.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 416
Temperature: 2.500000
Total energy: -31.651621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.651621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.651621 (E_RNA)
where:
Base-Base interactions energy: -6.056
where: short stacking energy: -6.356
Base-Backbone interact. energy: -0.112
local terms energy: -25.483432
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -0.259
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: 7.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 2.350000
Total energy: -41.970720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.970720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.970720 (E_RNA)
where:
Base-Base interactions energy: -8.299
where: short stacking energy: -8.299
Base-Backbone interact. energy: 0.701
local terms energy: -34.372276
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -3.067
tors. eta vs tors. theta energy: 3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 417
Temperature: 2.366667
Total energy: -35.617170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.617170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.617170 (E_RNA)
where:
Base-Base interactions energy: -9.616
where: short stacking energy: -9.656
Base-Backbone interact. energy: -0.203
local terms energy: -25.798265
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -10.040
flat angles C4'-P-C4' energy: -7.655
flat angles P-C4'-P energy: -1.941
tors. eta vs tors. theta energy: 7.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 417
Temperature: 2.383333
Total energy: -45.997767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.997767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.997767 (E_RNA)
where:
Base-Base interactions energy: -0.420
where: short stacking energy: -0.401
Base-Backbone interact. energy: -0.163
local terms energy: -45.414906
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: 8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 417
Temperature: 2.400000
Total energy: -38.812503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.812503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.812503 (E_RNA)
where:
Base-Base interactions energy: -8.258
where: short stacking energy: -6.747
Base-Backbone interact. energy: -0.680
local terms energy: -29.874328
where:
bonds (distance) C4'-P energy: -8.071
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -0.253
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: 1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 417
Temperature: 2.416667
Total energy: -40.008257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.008257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.008257 (E_RNA)
where:
Base-Base interactions energy: -6.779
where: short stacking energy: -4.474
Base-Backbone interact. energy: 0.623
local terms energy: -33.852702
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -0.934
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: 9.785
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: 10
=====================================
Write number: 417
Temperature: 2.433333
Total energy: -36.903178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.903178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.903178 (E_RNA)
where:
Base-Base interactions energy: -5.016
where: short stacking energy: -5.016
Base-Backbone interact. energy: -0.267
local terms energy: -31.619468
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -7.015
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: 7.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 2.450000
Total energy: -39.304633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.304633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.304633 (E_RNA)
where:
Base-Base interactions energy: -13.923
where: short stacking energy: -14.231
Base-Backbone interact. energy: -0.034
local terms energy: -25.347155
where:
bonds (distance) C4'-P energy: -8.058
bonds (distance) P-C4' energy: -21.082
flat angles C4'-P-C4' energy: 4.316
flat angles P-C4'-P energy: -3.352
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: 7
=====================================
Write number: 417
Temperature: 2.466667
Total energy: -39.935324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.935324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.935324 (E_RNA)
where:
Base-Base interactions energy: -9.686
where: short stacking energy: -9.686
Base-Backbone interact. energy: -0.172
local terms energy: -30.077325
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -8.641
flat angles P-C4'-P energy: -1.426
tors. eta vs tors. theta energy: 7.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 417
Temperature: 2.483333
Total energy: -35.209164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.209164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.209164 (E_RNA)
where:
Base-Base interactions energy: -3.638
where: short stacking energy: -3.638
Base-Backbone interact. energy: -0.540
local terms energy: -31.030810
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -7.329
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: 9.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 2.500000
Total energy: -39.980288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.980288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.980288 (E_RNA)
where:
Base-Base interactions energy: -11.645
where: short stacking energy: -7.765
Base-Backbone interact. energy: -0.296
local terms energy: -28.039091
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -8.510
flat angles C4'-P-C4' energy: -7.721
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: 8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 2.350000
Total energy: -45.818346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.818346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.818346 (E_RNA)
where:
Base-Base interactions energy: -8.384
where: short stacking energy: -7.970
Base-Backbone interact. energy: -0.281
local terms energy: -37.152468
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -5.296
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: 2, replica: 3
=====================================
Write number: 418
Temperature: 2.366667
Total energy: -38.482457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.482457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.482457 (E_RNA)
where:
Base-Base interactions energy: -7.216
where: short stacking energy: -5.149
Base-Backbone interact. energy: -0.159
local terms energy: -31.107115
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -6.570
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: 11.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 418
Temperature: 2.383333
Total energy: -35.719349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.719349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.719349 (E_RNA)
where:
Base-Base interactions energy: -8.550
where: short stacking energy: -8.550
Base-Backbone interact. energy: -0.417
local terms energy: -26.753022
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -10.173
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -1.176
tors. eta vs tors. theta energy: 8.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 418
Temperature: 2.400000
Total energy: -36.680249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.680249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.680249 (E_RNA)
where:
Base-Base interactions energy: -7.413
where: short stacking energy: -6.679
Base-Backbone interact. energy: 0.970
local terms energy: -30.237945
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -6.725
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: 7.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 418
Temperature: 2.416667
Total energy: -42.134332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.134332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.134332 (E_RNA)
where:
Base-Base interactions energy: -13.319
where: short stacking energy: -11.276
Base-Backbone interact. energy: -0.888
local terms energy: -27.927544
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -6.000
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -0.385
tors. eta vs tors. theta energy: 5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 418
Temperature: 2.433333
Total energy: -34.108652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.108652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.108652 (E_RNA)
where:
Base-Base interactions energy: -11.973
where: short stacking energy: -11.796
Base-Backbone interact. energy: -0.311
local terms energy: -21.824300
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -2.421
flat angles P-C4'-P energy: -0.534
tors. eta vs tors. theta energy: 8.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 418
Temperature: 2.450000
Total energy: -38.377594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.377594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.377594 (E_RNA)
where:
Base-Base interactions energy: -4.591
where: short stacking energy: -1.298
Base-Backbone interact. energy: -0.296
local terms energy: -33.490259
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -9.891
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -9.053
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: 8, replica: 5
=====================================
Write number: 418
Temperature: 2.466667
Total energy: -44.710490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.710490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.710490 (E_RNA)
where:
Base-Base interactions energy: -8.925
where: short stacking energy: -8.925
Base-Backbone interact. energy: -0.135
local terms energy: -35.650626
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -2.359
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: 1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 418
Temperature: 2.483333
Total energy: -39.119725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.119725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.119725 (E_RNA)
where:
Base-Base interactions energy: -8.136
where: short stacking energy: -7.685
Base-Backbone interact. energy: -0.216
local terms energy: -30.766904
where:
bonds (distance) C4'-P energy: -7.846
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -6.405
flat angles P-C4'-P energy: -4.729
tors. eta vs tors. theta energy: 5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 418
Temperature: 2.500000
Total energy: -34.738318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.738318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.738318 (E_RNA)
where:
Base-Base interactions energy: -10.685
where: short stacking energy: -10.149
Base-Backbone interact. energy: -0.216
local terms energy: -23.837649
where:
bonds (distance) C4'-P energy: -8.098
bonds (distance) P-C4' energy: -7.421
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: 0.008
tors. eta vs tors. theta energy: 3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 419
Temperature: 2.350000
Total energy: -42.076872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.076872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.076872 (E_RNA)
where:
Base-Base interactions energy: -4.096
where: short stacking energy: -2.950
Base-Backbone interact. energy: -0.093
local terms energy: -37.887598
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -4.950
tors. eta vs tors. theta energy: 7.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 419
Temperature: 2.366667
Total energy: -38.712990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.712990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.712990 (E_RNA)
where:
Base-Base interactions energy: -5.771
where: short stacking energy: -3.171
Base-Backbone interact. energy: -0.374
local terms energy: -32.568086
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -3.487
flat angles P-C4'-P energy: -10.948
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: 3, replica: 3
=====================================
Write number: 419
Temperature: 2.383333
Total energy: -42.783850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.783850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.783850 (E_RNA)
where:
Base-Base interactions energy: -5.066
where: short stacking energy: -3.857
Base-Backbone interact. energy: -0.333
local terms energy: -37.384770
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: 9.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 419
Temperature: 2.400000
Total energy: -36.232800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.232800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.232800 (E_RNA)
where:
Base-Base interactions energy: -8.997
where: short stacking energy: -5.452
Base-Backbone interact. energy: -0.283
local terms energy: -26.952561
where:
bonds (distance) C4'-P energy: -6.233
bonds (distance) P-C4' energy: -7.042
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: 5.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 419
Temperature: 2.416667
Total energy: -43.501153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.501153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.501153 (E_RNA)
where:
Base-Base interactions energy: -1.530
where: short stacking energy: -4.310
Base-Backbone interact. energy: -1.258
local terms energy: -40.712725
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -5.567
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: 6, replica: 7
=====================================
Write number: 419
Temperature: 2.433333
Total energy: -40.332063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.332063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.332063 (E_RNA)
where:
Base-Base interactions energy: -8.102
where: short stacking energy: -4.979
Base-Backbone interact. energy: 0.384
local terms energy: -32.614404
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -8.963
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -3.878
tors. eta vs tors. theta energy: 10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 419
Temperature: 2.450000
Total energy: -40.465358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.465358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.465358 (E_RNA)
where:
Base-Base interactions energy: -10.727
where: short stacking energy: -8.289
Base-Backbone interact. energy: -0.139
local terms energy: -29.599782
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -8.682
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: 7.872
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: 6
=====================================
Write number: 419
Temperature: 2.466667
Total energy: -38.195748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.195748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.195748 (E_RNA)
where:
Base-Base interactions energy: -10.369
where: short stacking energy: -10.369
Base-Backbone interact. energy: -0.143
local terms energy: -27.683706
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -4.671
tors. eta vs tors. theta energy: 9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 419
Temperature: 2.483333
Total energy: -34.822036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.822036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.822036 (E_RNA)
where:
Base-Base interactions energy: -5.468
where: short stacking energy: -5.174
Base-Backbone interact. energy: -0.248
local terms energy: -29.105825
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -5.123
flat angles P-C4'-P energy: -5.628
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: 10, replica: 2
=====================================
Write number: 419
Temperature: 2.500000
Total energy: -41.449459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.449459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.449459 (E_RNA)
where:
Base-Base interactions energy: -4.872
where: short stacking energy: -5.872
Base-Backbone interact. energy: -0.982
local terms energy: -35.595523
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -6.507
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: 10.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 420
Temperature: 2.350000
Total energy: -44.638094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.638094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.638094 (E_RNA)
where:
Base-Base interactions energy: -5.620
where: short stacking energy: -3.105
Base-Backbone interact. energy: -0.323
local terms energy: -38.695206
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -5.515
flat angles P-C4'-P energy: -11.980
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: 2, replica: 1
=====================================
Write number: 420
Temperature: 2.366667
Total energy: -42.811656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.811656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.811656 (E_RNA)
where:
Base-Base interactions energy: -6.370
where: short stacking energy: -6.370
Base-Backbone interact. energy: 0.803
local terms energy: -37.244785
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -2.774
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: 3, replica: 10
=====================================
Write number: 420
Temperature: 2.383333
Total energy: -35.340860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.340860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.340860 (E_RNA)
where:
Base-Base interactions energy: -5.475
where: short stacking energy: -5.061
Base-Backbone interact. energy: 5.044
local terms energy: -34.909861
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: 14.490
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: 3
=====================================
Write number: 420
Temperature: 2.400000
Total energy: -43.054774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.054774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.054774 (E_RNA)
where:
Base-Base interactions energy: -9.316
where: short stacking energy: -9.316
Base-Backbone interact. energy: -0.333
local terms energy: -33.406048
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -0.387
tors. eta vs tors. theta energy: 11.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 420
Temperature: 2.416667
Total energy: -35.671522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.671522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.671522 (E_RNA)
where:
Base-Base interactions energy: -11.078
where: short stacking energy: -9.982
Base-Backbone interact. energy: -0.501
local terms energy: -24.093017
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -5.708
flat angles C4'-P-C4' energy: 1.054
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 420
Temperature: 2.433333
Total energy: -37.812314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.812314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.812314 (E_RNA)
where:
Base-Base interactions energy: -6.267
where: short stacking energy: -5.245
Base-Backbone interact. energy: 0.140
local terms energy: -31.685209
where:
bonds (distance) C4'-P energy: -5.642
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -4.298
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: 1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 2.450000
Total energy: -34.811694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.811694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.811694 (E_RNA)
where:
Base-Base interactions energy: -12.223
where: short stacking energy: -10.793
Base-Backbone interact. energy: -0.110
local terms energy: -22.478458
where:
bonds (distance) C4'-P energy: -8.014
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -3.598
flat angles P-C4'-P energy: -3.859
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: 4
=====================================
Write number: 420
Temperature: 2.466667
Total energy: -36.791251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.791251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.791251 (E_RNA)
where:
Base-Base interactions energy: -9.360
where: short stacking energy: -8.034
Base-Backbone interact. energy: -0.517
local terms energy: -26.913938
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -7.236
flat angles C4'-P-C4' energy: -6.882
flat angles P-C4'-P energy: -1.511
tors. eta vs tors. theta energy: 3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 420
Temperature: 2.483333
Total energy: -34.413907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.413907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.413907 (E_RNA)
where:
Base-Base interactions energy: -4.164
where: short stacking energy: -4.164
Base-Backbone interact. energy: -0.585
local terms energy: -29.664874
where:
bonds (distance) C4'-P energy: -9.987
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -9.950
flat angles P-C4'-P energy: -2.159
tors. eta vs tors. theta energy: 7.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 420
Temperature: 2.500000
Total energy: -35.139162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.139162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.139162 (E_RNA)
where:
Base-Base interactions energy: -1.067
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.226
local terms energy: -33.846815
where:
bonds (distance) C4'-P energy: -9.116
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -7.745
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: 5.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 421
Temperature: 2.350000
Total energy: -46.434328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.434328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.434328 (E_RNA)
where:
Base-Base interactions energy: -6.592
where: short stacking energy: -3.531
Base-Backbone interact. energy: -0.367
local terms energy: -39.475475
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -8.508
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: 5.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 421
Temperature: 2.366667
Total energy: -36.868987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.868987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.868987 (E_RNA)
where:
Base-Base interactions energy: -8.367
where: short stacking energy: -5.497
Base-Backbone interact. energy: -0.255
local terms energy: -28.247039
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -7.521
flat angles C4'-P-C4' energy: -6.470
flat angles P-C4'-P energy: -7.994
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: 3, replica: 1
=====================================
Write number: 421
Temperature: 2.383333
Total energy: -38.648212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.648212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.648212 (E_RNA)
where:
Base-Base interactions energy: -3.554
where: short stacking energy: -3.389
Base-Backbone interact. energy: -0.293
local terms energy: -34.801702
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: 8.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 421
Temperature: 2.400000
Total energy: -35.063141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.063141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.063141 (E_RNA)
where:
Base-Base interactions energy: -5.517
where: short stacking energy: -5.060
Base-Backbone interact. energy: -0.134
local terms energy: -29.412482
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -2.754
tors. eta vs tors. theta energy: 9.254
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: 3
=====================================
Write number: 421
Temperature: 2.416667
Total energy: -39.196807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.196807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.196807 (E_RNA)
where:
Base-Base interactions energy: -6.480
where: short stacking energy: -6.056
Base-Backbone interact. energy: -0.348
local terms energy: -32.369342
where:
bonds (distance) C4'-P energy: -7.919
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -9.415
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: 8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 421
Temperature: 2.433333
Total energy: -36.916185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.916185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.916185 (E_RNA)
where:
Base-Base interactions energy: -6.963
where: short stacking energy: -4.318
Base-Backbone interact. energy: -0.301
local terms energy: -29.652390
where:
bonds (distance) C4'-P energy: -6.410
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: 13.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 421
Temperature: 2.450000
Total energy: -35.460056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.460056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.460056 (E_RNA)
where:
Base-Base interactions energy: -12.543
where: short stacking energy: -11.110
Base-Backbone interact. energy: 6.100
local terms energy: -29.016735
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: 9.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 421
Temperature: 2.466667
Total energy: -35.856559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.856559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.856559 (E_RNA)
where:
Base-Base interactions energy: -8.543
where: short stacking energy: -8.411
Base-Backbone interact. energy: -0.672
local terms energy: -26.641734
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -10.312
flat angles C4'-P-C4' energy: -8.276
flat angles P-C4'-P energy: -4.148
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: 9, replica: 4
=====================================
Write number: 421
Temperature: 2.483333
Total energy: -33.489900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.489900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.489900 (E_RNA)
where:
Base-Base interactions energy: -6.920
where: short stacking energy: -6.920
Base-Backbone interact. energy: 2.784
local terms energy: -29.354509
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -8.865
flat angles C4'-P-C4' energy: -7.405
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: 7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 421
Temperature: 2.500000
Total energy: -32.566827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.566827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.566827 (E_RNA)
where:
Base-Base interactions energy: -6.338
where: short stacking energy: -6.338
Base-Backbone interact. energy: -1.065
local terms energy: -25.163597
where:
bonds (distance) C4'-P energy: -5.169
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -5.904
flat angles P-C4'-P energy: -3.833
tors. eta vs tors. theta energy: 4.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 422
Temperature: 2.350000
Total energy: -34.328400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.328400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.328400 (E_RNA)
where:
Base-Base interactions energy: -6.944
where: short stacking energy: -5.990
Base-Backbone interact. energy: 0.926
local terms energy: -28.310743
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -11.015
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -2.865
tors. eta vs tors. theta energy: 6.063
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: 9
=====================================
Write number: 422
Temperature: 2.366667
Total energy: -36.123279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.123279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.123279 (E_RNA)
where:
Base-Base interactions energy: -8.478
where: short stacking energy: -8.023
Base-Backbone interact. energy: 1.698
local terms energy: -29.343911
where:
bonds (distance) C4'-P energy: -5.211
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -9.730
flat angles P-C4'-P energy: 0.843
tors. eta vs tors. theta energy: 0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 422
Temperature: 2.383333
Total energy: -37.847778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.847778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.847778 (E_RNA)
where:
Base-Base interactions energy: -5.683
where: short stacking energy: -5.683
Base-Backbone interact. energy: 1.536
local terms energy: -33.700171
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -6.114
flat angles P-C4'-P energy: -3.703
tors. eta vs tors. theta energy: 5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 422
Temperature: 2.400000
Total energy: -47.739769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.739769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.739769 (E_RNA)
where:
Base-Base interactions energy: -9.787
where: short stacking energy: -9.417
Base-Backbone interact. energy: 1.157
local terms energy: -39.109465
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -7.051
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: 5, replica: 6
=====================================
Write number: 422
Temperature: 2.416667
Total energy: -36.603874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.603874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.603874 (E_RNA)
where:
Base-Base interactions energy: -4.283
where: short stacking energy: -5.792
Base-Backbone interact. energy: -0.406
local terms energy: -31.914603
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: 7.323
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: 6, replica: 3
=====================================
Write number: 422
Temperature: 2.433333
Total energy: -37.246650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.246650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.246650 (E_RNA)
where:
Base-Base interactions energy: -7.092
where: short stacking energy: -7.073
Base-Backbone interact. energy: -0.137
local terms energy: -30.017392
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: 1.486
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: 7, replica: 2
=====================================
Write number: 422
Temperature: 2.450000
Total energy: -35.955355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.955355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.955355 (E_RNA)
where:
Base-Base interactions energy: -9.664
where: short stacking energy: -3.922
Base-Backbone interact. energy: -0.197
local terms energy: -26.094557
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -10.512
flat angles C4'-P-C4' energy: -7.150
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: 8.814
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: 8
=====================================
Write number: 422
Temperature: 2.466667
Total energy: -39.052030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.052030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.052030 (E_RNA)
where:
Base-Base interactions energy: -10.090
where: short stacking energy: -6.341
Base-Backbone interact. energy: -0.297
local terms energy: -28.665730
where:
bonds (distance) C4'-P energy: -3.040
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -7.532
flat angles P-C4'-P energy: -7.756
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: 9, replica: 5
=====================================
Write number: 422
Temperature: 2.483333
Total energy: -37.391525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.391525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.391525 (E_RNA)
where:
Base-Base interactions energy: -6.365
where: short stacking energy: -6.025
Base-Backbone interact. energy: 2.021
local terms energy: -33.047330
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -5.678
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: 10, replica: 4
=====================================
Write number: 422
Temperature: 2.500000
Total energy: -39.788867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.788867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.788867 (E_RNA)
where:
Base-Base interactions energy: -3.096
where: short stacking energy: -3.096
Base-Backbone interact. energy: 0.530
local terms energy: -37.223090
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -9.596
flat angles P-C4'-P energy: -5.542
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: 1, replica: 10
=====================================
Write number: 423
Temperature: 2.350000
Total energy: -45.098684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.098684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.098684 (E_RNA)
where:
Base-Base interactions energy: -20.955
where: short stacking energy: -12.847
Base-Backbone interact. energy: -0.162
local terms energy: -23.981873
where:
bonds (distance) C4'-P energy: -6.702
bonds (distance) P-C4' energy: -9.029
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: 7.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 423
Temperature: 2.366667
Total energy: -38.158535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.158535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.158535 (E_RNA)
where:
Base-Base interactions energy: -15.358
where: short stacking energy: -15.358
Base-Backbone interact. energy: -0.230
local terms energy: -22.571136
where:
bonds (distance) C4'-P energy: -5.243
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -3.741
flat angles P-C4'-P energy: -4.670
tors. eta vs tors. theta energy: 3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 423
Temperature: 2.383333
Total energy: -47.253209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.253209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.253209 (E_RNA)
where:
Base-Base interactions energy: -9.186
where: short stacking energy: -6.418
Base-Backbone interact. energy: 0.194
local terms energy: -38.260901
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -7.627
flat angles P-C4'-P energy: -6.371
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: 4, replica: 6
=====================================
Write number: 423
Temperature: 2.400000
Total energy: -43.408344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.408344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.408344 (E_RNA)
where:
Base-Base interactions energy: -7.964
where: short stacking energy: -7.523
Base-Backbone interact. energy: -0.090
local terms energy: -35.353707
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -8.973
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: 5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 423
Temperature: 2.416667
Total energy: -34.244293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.244293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.244293 (E_RNA)
where:
Base-Base interactions energy: -9.290
where: short stacking energy: -6.402
Base-Backbone interact. energy: -0.482
local terms energy: -24.472540
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -9.400
flat angles P-C4'-P energy: -0.771
tors. eta vs tors. theta energy: 7.217
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: 2
=====================================
Write number: 423
Temperature: 2.433333
Total energy: -42.646370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.646370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.646370 (E_RNA)
where:
Base-Base interactions energy: -6.481
where: short stacking energy: -4.148
Base-Backbone interact. energy: 0.043
local terms energy: -36.208331
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: 11.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 423
Temperature: 2.450000
Total energy: -34.081294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.081294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.081294 (E_RNA)
where:
Base-Base interactions energy: -4.500
where: short stacking energy: -3.251
Base-Backbone interact. energy: -0.087
local terms energy: -29.494703
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -2.148
tors. eta vs tors. theta energy: 7.094
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: 423
Temperature: 2.466667
Total energy: -32.964920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.964920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.964920 (E_RNA)
where:
Base-Base interactions energy: 0.412
where: short stacking energy: 1.100
Base-Backbone interact. energy: -0.327
local terms energy: -33.049444
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -6.536
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: 7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 423
Temperature: 2.483333
Total energy: -36.725668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.725668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.725668 (E_RNA)
where:
Base-Base interactions energy: -3.934
where: short stacking energy: -3.934
Base-Backbone interact. energy: -0.407
local terms energy: -32.384357
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -9.584
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: 12.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 423
Temperature: 2.500000
Total energy: -31.342355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.342355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.342355 (E_RNA)
where:
Base-Base interactions energy: -6.148
where: short stacking energy: -6.848
Base-Backbone interact. energy: 3.743
local terms energy: -28.936904
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -6.614
flat angles P-C4'-P energy: -6.160
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: 1, replica: 7
=====================================
Write number: 424
Temperature: 2.350000
Total energy: -37.256967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.256967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.256967 (E_RNA)
where:
Base-Base interactions energy: -8.309
where: short stacking energy: -8.309
Base-Backbone interact. energy: -0.150
local terms energy: -28.798719
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: 9.186
tors. eta vs tors. theta energy: -0.138
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: 2, replica: 10
=====================================
Write number: 424
Temperature: 2.366667
Total energy: -47.316921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.316921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.316921 (E_RNA)
where:
Base-Base interactions energy: -10.839
where: short stacking energy: -9.490
Base-Backbone interact. energy: 2.646
local terms energy: -39.123089
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -7.638
flat angles P-C4'-P energy: -6.234
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: 6
=====================================
Write number: 424
Temperature: 2.383333
Total energy: -45.151137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.151137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.151137 (E_RNA)
where:
Base-Base interactions energy: -11.785
where: short stacking energy: -10.246
Base-Backbone interact. energy: 2.364
local terms energy: -35.729934
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -10.519
flat angles C4'-P-C4' energy: -7.252
flat angles P-C4'-P energy: -9.024
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)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 424
Temperature: 2.400000
Total energy: -38.205015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.205015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.205015 (E_RNA)
where:
Base-Base interactions energy: -10.025
where: short stacking energy: -8.950
Base-Backbone interact. energy: -0.264
local terms energy: -27.915484
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -5.451
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: 10.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 424
Temperature: 2.416667
Total energy: -34.093585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.093585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.093585 (E_RNA)
where:
Base-Base interactions energy: -3.023
where: short stacking energy: -3.023
Base-Backbone interact. energy: -0.380
local terms energy: -30.690078
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -7.129
flat angles C4'-P-C4' energy: -6.372
flat angles P-C4'-P energy: -10.531
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: 6, replica: 1
=====================================
Write number: 424
Temperature: 2.433333
Total energy: -33.556123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.556123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.556123 (E_RNA)
where:
Base-Base interactions energy: -7.225
where: short stacking energy: -3.062
Base-Backbone interact. energy: 0.308
local terms energy: -26.639125
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -9.491
flat angles C4'-P-C4' energy: -9.892
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: 8.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 424
Temperature: 2.450000
Total energy: -37.730725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.730725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.730725 (E_RNA)
where:
Base-Base interactions energy: -4.855
where: short stacking energy: -4.570
Base-Backbone interact. energy: -0.051
local terms energy: -32.823945
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -6.646
flat angles P-C4'-P energy: -4.989
tors. eta vs tors. theta energy: 5.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 2.466667
Total energy: -36.660640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.660640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.660640 (E_RNA)
where:
Base-Base interactions energy: -5.495
where: short stacking energy: -5.414
Base-Backbone interact. energy: -0.371
local terms energy: -30.794952
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -9.215
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: 7.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 424
Temperature: 2.483333
Total energy: -34.375737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.375737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.375737 (E_RNA)
where:
Base-Base interactions energy: -0.718
where: short stacking energy: -0.718
Base-Backbone interact. energy: -0.315
local terms energy: -33.342553
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -11.231
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: 9.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 424
Temperature: 2.500000
Total energy: -38.682411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.682411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.682411 (E_RNA)
where:
Base-Base interactions energy: -11.335
where: short stacking energy: -12.453
Base-Backbone interact. energy: -0.186
local terms energy: -27.161149
where:
bonds (distance) C4'-P energy: -8.945
bonds (distance) P-C4' energy: -9.544
flat angles C4'-P-C4' energy: -4.132
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: 2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 2.350000
Total energy: -45.570852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.570852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.570852 (E_RNA)
where:
Base-Base interactions energy: -7.874
where: short stacking energy: -7.874
Base-Backbone interact. energy: -0.577
local terms energy: -37.119583
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: 8.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 425
Temperature: 2.366667
Total energy: -36.244562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.244562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.244562 (E_RNA)
where:
Base-Base interactions energy: -14.223
where: short stacking energy: -12.413
Base-Backbone interact. energy: -0.200
local terms energy: -21.820914
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: 2.114
flat angles P-C4'-P energy: 0.702
tors. eta vs tors. theta energy: 6.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 425
Temperature: 2.383333
Total energy: -38.580681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.580681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.580681 (E_RNA)
where:
Base-Base interactions energy: -9.818
where: short stacking energy: -8.433
Base-Backbone interact. energy: -0.187
local terms energy: -28.575977
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -6.320
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: 10.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 425
Temperature: 2.400000
Total energy: -44.227333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.227333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.227333 (E_RNA)
where:
Base-Base interactions energy: -7.715
where: short stacking energy: -5.738
Base-Backbone interact. energy: -0.529
local terms energy: -35.982875
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -9.042
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: 9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 425
Temperature: 2.416667
Total energy: -35.541172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.541172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.541172 (E_RNA)
where:
Base-Base interactions energy: -6.496
where: short stacking energy: -6.035
Base-Backbone interact. energy: -0.478
local terms energy: -28.566736
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -3.942
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: 6, replica: 5
=====================================
Write number: 425
Temperature: 2.433333
Total energy: -42.080005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.080005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.080005 (E_RNA)
where:
Base-Base interactions energy: -4.007
where: short stacking energy: -4.350
Base-Backbone interact. energy: -0.307
local terms energy: -37.766082
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -4.205
tors. eta vs tors. theta energy: 9.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 2.450000
Total energy: -34.667661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.667661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.667661 (E_RNA)
where:
Base-Base interactions energy: -9.290
where: short stacking energy: -6.815
Base-Backbone interact. energy: 2.089
local terms energy: -27.466591
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -8.689
flat angles C4'-P-C4' energy: -0.714
flat angles P-C4'-P energy: -4.738
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: 4
=====================================
Write number: 425
Temperature: 2.466667
Total energy: -38.065951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.065951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.065951 (E_RNA)
where:
Base-Base interactions energy: -15.318
where: short stacking energy: -15.318
Base-Backbone interact. energy: 5.335
local terms energy: -28.082551
where:
bonds (distance) C4'-P energy: -7.579
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -4.062
flat angles P-C4'-P energy: 0.042
tors. eta vs tors. theta energy: -0.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 425
Temperature: 2.483333
Total energy: -37.842726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.842726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.842726 (E_RNA)
where:
Base-Base interactions energy: -5.291
where: short stacking energy: -5.291
Base-Backbone interact. energy: -0.609
local terms energy: -31.942959
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -5.578
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: 2.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 425
Temperature: 2.500000
Total energy: -39.508066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.508066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.508066 (E_RNA)
where:
Base-Base interactions energy: -3.817
where: short stacking energy: -2.767
Base-Backbone interact. energy: -0.497
local terms energy: -35.193591
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -2.819
tors. eta vs tors. theta energy: 10.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 426
Temperature: 2.350000
Total energy: -38.426722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.426722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.426722 (E_RNA)
where:
Base-Base interactions energy: -8.368
where: short stacking energy: -7.770
Base-Backbone interact. energy: 0.047
local terms energy: -30.105067
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -5.900
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: 12.001
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: 7
=====================================
Write number: 426
Temperature: 2.366667
Total energy: -40.338401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.338401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.338401 (E_RNA)
where:
Base-Base interactions energy: -4.125
where: short stacking energy: -2.509
Base-Backbone interact. energy: -0.146
local terms energy: -36.067367
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -1.995
tors. eta vs tors. theta energy: 3.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 2.383333
Total energy: -38.850140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.850140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.850140 (E_RNA)
where:
Base-Base interactions energy: -2.584
where: short stacking energy: -2.739
Base-Backbone interact. energy: 0.889
local terms energy: -37.155219
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -1.970
tors. eta vs tors. theta energy: 4.222
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: 4, replica: 10
=====================================
Write number: 426
Temperature: 2.400000
Total energy: -40.302196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.302196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.302196 (E_RNA)
where:
Base-Base interactions energy: -19.955
where: short stacking energy: -17.914
Base-Backbone interact. energy: -0.701
local terms energy: -19.645694
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -10.807
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: 14.543
tors. eta vs tors. theta energy: -1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 2.416667
Total energy: -41.454779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.454779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.454779 (E_RNA)
where:
Base-Base interactions energy: -9.784
where: short stacking energy: -9.220
Base-Backbone interact. energy: 2.186
local terms energy: -33.856886
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: 1.469
flat angles P-C4'-P energy: -11.520
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: 6, replica: 9
=====================================
Write number: 426
Temperature: 2.433333
Total energy: -37.314757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.314757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.314757 (E_RNA)
where:
Base-Base interactions energy: -8.850
where: short stacking energy: -6.703
Base-Backbone interact. energy: -0.183
local terms energy: -28.281052
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -4.566
flat angles P-C4'-P energy: -1.670
tors. eta vs tors. theta energy: 7.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 426
Temperature: 2.450000
Total energy: -37.644550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.644550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.644550 (E_RNA)
where:
Base-Base interactions energy: -1.203
where: short stacking energy: -1.598
Base-Backbone interact. energy: -0.087
local terms energy: -36.355211
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -7.809
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: 6.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 426
Temperature: 2.466667
Total energy: -38.906202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.906202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.906202 (E_RNA)
where:
Base-Base interactions energy: -5.596
where: short stacking energy: -5.696
Base-Backbone interact. energy: -0.353
local terms energy: -32.957074
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -8.105
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -2.524
tors. eta vs tors. theta energy: 3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 426
Temperature: 2.483333
Total energy: -37.640400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.640400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.640400 (E_RNA)
where:
Base-Base interactions energy: -1.895
where: short stacking energy: -0.917
Base-Backbone interact. energy: -0.274
local terms energy: -35.470923
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -4.489
tors. eta vs tors. theta energy: 8.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 2.500000
Total energy: -33.021039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.021039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.021039 (E_RNA)
where:
Base-Base interactions energy: -2.897
where: short stacking energy: -1.043
Base-Backbone interact. energy: -0.193
local terms energy: -29.930631
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -3.568
flat angles P-C4'-P energy: -6.035
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: 1, replica: 6
=====================================
Write number: 427
Temperature: 2.350000
Total energy: -36.862710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.862710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.862710 (E_RNA)
where:
Base-Base interactions energy: -8.937
where: short stacking energy: -8.649
Base-Backbone interact. energy: 0.209
local terms energy: -28.134939
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -4.651
tors. eta vs tors. theta energy: 7.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 2.366667
Total energy: -36.121418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.121418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.121418 (E_RNA)
where:
Base-Base interactions energy: -3.233
where: short stacking energy: -2.156
Base-Backbone interact. energy: 0.323
local terms energy: -33.211448
where:
bonds (distance) C4'-P energy: -7.248
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -3.731
tors. eta vs tors. theta energy: 5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 427
Temperature: 2.383333
Total energy: -40.093795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.093795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.093795 (E_RNA)
where:
Base-Base interactions energy: -5.970
where: short stacking energy: -5.168
Base-Backbone interact. energy: -1.244
local terms energy: -32.879947
where:
bonds (distance) C4'-P energy: -6.832
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: 7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 427
Temperature: 2.400000
Total energy: -38.720690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.720690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.720690 (E_RNA)
where:
Base-Base interactions energy: -7.408
where: short stacking energy: -7.003
Base-Backbone interact. energy: 0.175
local terms energy: -31.487665
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: 8.842
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: 10
=====================================
Write number: 427
Temperature: 2.416667
Total energy: -35.805075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.805075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.805075 (E_RNA)
where:
Base-Base interactions energy: -2.413
where: short stacking energy: -2.613
Base-Backbone interact. energy: -0.320
local terms energy: -33.072023
where:
bonds (distance) C4'-P energy: -8.268
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -0.447
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: 4
=====================================
Write number: 427
Temperature: 2.433333
Total energy: -38.101835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.101835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.101835 (E_RNA)
where:
Base-Base interactions energy: -7.602
where: short stacking energy: -4.783
Base-Backbone interact. energy: -0.126
local terms energy: -30.373948
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -17.577
flat angles C4'-P-C4' energy: -3.253
flat angles P-C4'-P energy: -2.130
tors. eta vs tors. theta energy: 5.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 427
Temperature: 2.450000
Total energy: -36.638872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.638872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.638872 (E_RNA)
where:
Base-Base interactions energy: -13.324
where: short stacking energy: -12.432
Base-Backbone interact. energy: -0.668
local terms energy: -22.647134
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -4.699
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: 6.894
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: 8
=====================================
Write number: 427
Temperature: 2.466667
Total energy: -36.860256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.860256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.860256 (E_RNA)
where:
Base-Base interactions energy: -10.376
where: short stacking energy: -7.057
Base-Backbone interact. energy: 0.122
local terms energy: -26.605689
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -5.819
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: 10.136
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: 1
=====================================
Write number: 427
Temperature: 2.483333
Total energy: -37.966951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.966951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.966951 (E_RNA)
where:
Base-Base interactions energy: -7.833
where: short stacking energy: -8.133
Base-Backbone interact. energy: 1.064
local terms energy: -31.197925
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: 0.280
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: 3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 2.500000
Total energy: -34.959492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.959492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.959492 (E_RNA)
where:
Base-Base interactions energy: -12.750
where: short stacking energy: -11.977
Base-Backbone interact. energy: 0.691
local terms energy: -22.899990
where:
bonds (distance) C4'-P energy: -5.664
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: 6.697
tors. eta vs tors. theta energy: 4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 2.350000
Total energy: -42.091461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.091461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.091461 (E_RNA)
where:
Base-Base interactions energy: -10.472
where: short stacking energy: -10.180
Base-Backbone interact. energy: -0.142
local terms energy: -31.476909
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -9.698
flat angles C4'-P-C4' energy: -6.511
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: 3.846
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: 2, replica: 6
=====================================
Write number: 428
Temperature: 2.366667
Total energy: -44.384420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.384420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.384420 (E_RNA)
where:
Base-Base interactions energy: -8.518
where: short stacking energy: -7.481
Base-Backbone interact. energy: -0.094
local terms energy: -35.772948
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: 7.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 428
Temperature: 2.383333
Total energy: -38.827075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.827075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.827075 (E_RNA)
where:
Base-Base interactions energy: -0.064
where: short stacking energy: -0.316
Base-Backbone interact. energy: -1.654
local terms energy: -37.109194
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: 10.451
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: 4, replica: 7
=====================================
Write number: 428
Temperature: 2.400000
Total energy: -34.329298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.329298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.329298 (E_RNA)
where:
Base-Base interactions energy: -8.894
where: short stacking energy: -5.978
Base-Backbone interact. energy: -0.343
local terms energy: -25.092456
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -3.554
flat angles P-C4'-P energy: -1.374
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: 5, replica: 4
=====================================
Write number: 428
Temperature: 2.416667
Total energy: -35.611074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.611074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.611074 (E_RNA)
where:
Base-Base interactions energy: -3.040
where: short stacking energy: -3.040
Base-Backbone interact. energy: -0.421
local terms energy: -32.149741
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -7.718
flat angles P-C4'-P energy: -2.719
tors. eta vs tors. theta energy: 8.102
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: 10
=====================================
Write number: 428
Temperature: 2.433333
Total energy: -36.239433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.239433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.239433 (E_RNA)
where:
Base-Base interactions energy: -2.606
where: short stacking energy: -2.188
Base-Backbone interact. energy: -0.244
local terms energy: -33.388961
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -7.770
flat angles P-C4'-P energy: -3.302
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: 7, replica: 8
=====================================
Write number: 428
Temperature: 2.450000
Total energy: -36.290790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.290790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.290790 (E_RNA)
where:
Base-Base interactions energy: -10.829
where: short stacking energy: -10.829
Base-Backbone interact. energy: 1.118
local terms energy: -26.579553
where:
bonds (distance) C4'-P energy: -5.628
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -2.674
tors. eta vs tors. theta energy: 4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 428
Temperature: 2.466667
Total energy: -40.640100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.640100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.640100 (E_RNA)
where:
Base-Base interactions energy: -14.981
where: short stacking energy: -11.263
Base-Backbone interact. energy: -0.266
local terms energy: -25.393448
where:
bonds (distance) C4'-P energy: -8.202
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -2.132
flat angles P-C4'-P energy: -1.746
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: 9, replica: 3
=====================================
Write number: 428
Temperature: 2.483333
Total energy: -30.469905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.469905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.469905 (E_RNA)
where:
Base-Base interactions energy: -8.051
where: short stacking energy: -8.051
Base-Backbone interact. energy: 2.307
local terms energy: -24.726192
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -2.609
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -2.326
tors. eta vs tors. theta energy: 5.043
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: 1
=====================================
Write number: 428
Temperature: 2.500000
Total energy: -35.028387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.028387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.028387 (E_RNA)
where:
Base-Base interactions energy: -5.571
where: short stacking energy: -8.351
Base-Backbone interact. energy: -0.408
local terms energy: -29.049119
where:
bonds (distance) C4'-P energy: -4.286
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -3.572
tors. eta vs tors. theta energy: 8.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 2.350000
Total energy: -40.886535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.886535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.886535 (E_RNA)
where:
Base-Base interactions energy: -12.976
where: short stacking energy: -12.401
Base-Backbone interact. energy: -0.195
local terms energy: -27.715734
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: 0.334
flat angles P-C4'-P energy: -4.573
tors. eta vs tors. theta energy: 5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 429
Temperature: 2.366667
Total energy: -44.500530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.500530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.500530 (E_RNA)
where:
Base-Base interactions energy: -5.005
where: short stacking energy: -5.005
Base-Backbone interact. energy: -0.205
local terms energy: -39.290736
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -10.264
flat angles P-C4'-P energy: -10.462
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: 3, replica: 6
=====================================
Write number: 429
Temperature: 2.383333
Total energy: -41.128672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.128672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.128672 (E_RNA)
where:
Base-Base interactions energy: -19.059
where: short stacking energy: -19.059
Base-Backbone interact. energy: -0.286
local terms energy: -21.783492
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -11.145
flat angles C4'-P-C4' energy: -7.287
flat angles P-C4'-P energy: -1.375
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: 4, replica: 4
=====================================
Write number: 429
Temperature: 2.400000
Total energy: -38.025128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.025128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.025128 (E_RNA)
where:
Base-Base interactions energy: -0.607
where: short stacking energy: -0.607
Base-Backbone interact. energy: 1.134
local terms energy: -38.552144
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -7.823
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: 6.651
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: 7
=====================================
Write number: 429
Temperature: 2.416667
Total energy: -39.827882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.827882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.827882 (E_RNA)
where:
Base-Base interactions energy: -6.123
where: short stacking energy: -5.242
Base-Backbone interact. energy: 0.809
local terms energy: -34.513511
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: 11.347
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: 6, replica: 8
=====================================
Write number: 429
Temperature: 2.433333
Total energy: -42.337166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.337166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.337166 (E_RNA)
where:
Base-Base interactions energy: -9.104
where: short stacking energy: -7.710
Base-Backbone interact. energy: -0.433
local terms energy: -32.800516
where:
bonds (distance) C4'-P energy: -5.884
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: 7.036
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: 10
=====================================
Write number: 429
Temperature: 2.450000
Total energy: -43.691010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.691010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.691010 (E_RNA)
where:
Base-Base interactions energy: -9.699
where: short stacking energy: -8.228
Base-Backbone interact. energy: -0.312
local terms energy: -33.680530
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -4.667
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: 8.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 429
Temperature: 2.466667
Total energy: -34.560750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.560750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.560750 (E_RNA)
where:
Base-Base interactions energy: -1.922
where: short stacking energy: 0.671
Base-Backbone interact. energy: 0.350
local terms energy: -32.989138
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -3.196
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: 9, replica: 9
=====================================
Write number: 429
Temperature: 2.483333
Total energy: -34.271575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.271575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.271575 (E_RNA)
where:
Base-Base interactions energy: -10.228
where: short stacking energy: -9.662
Base-Backbone interact. energy: -0.129
local terms energy: -23.914382
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -7.325
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: 2.198
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: 10, replica: 1
=====================================
Write number: 429
Temperature: 2.500000
Total energy: -36.946340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.946340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.946340 (E_RNA)
where:
Base-Base interactions energy: -2.724
where: short stacking energy: -2.724
Base-Backbone interact. energy: -0.079
local terms energy: -34.143077
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -6.909
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: 11.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 430
Temperature: 2.350000
Total energy: -39.809801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.809801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.809801 (E_RNA)
where:
Base-Base interactions energy: -11.008
where: short stacking energy: -11.008
Base-Backbone interact. energy: -0.198
local terms energy: -28.603743
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -8.610
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -1.086
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: 2, replica: 2
=====================================
Write number: 430
Temperature: 2.366667
Total energy: -34.412157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.412157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.412157 (E_RNA)
where:
Base-Base interactions energy: -8.230
where: short stacking energy: -6.111
Base-Backbone interact. energy: -0.207
local terms energy: -25.974678
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -9.265
flat angles C4'-P-C4' energy: -6.577
flat angles P-C4'-P energy: -5.061
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: 3, replica: 4
=====================================
Write number: 430
Temperature: 2.383333
Total energy: -41.035403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.035403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.035403 (E_RNA)
where:
Base-Base interactions energy: -4.589
where: short stacking energy: -2.318
Base-Backbone interact. energy: -0.225
local terms energy: -36.221729
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -6.733
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: 4, replica: 6
=====================================
Write number: 430
Temperature: 2.400000
Total energy: -36.240466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.240466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.240466 (E_RNA)
where:
Base-Base interactions energy: -12.865
where: short stacking energy: -11.255
Base-Backbone interact. energy: -0.738
local terms energy: -22.638010
where:
bonds (distance) C4'-P energy: -5.346
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -7.611
flat angles P-C4'-P energy: -1.531
tors. eta vs tors. theta energy: 6.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 430
Temperature: 2.416667
Total energy: -36.227353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.227353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.227353 (E_RNA)
where:
Base-Base interactions energy: -13.621
where: short stacking energy: -12.493
Base-Backbone interact. energy: -0.261
local terms energy: -22.345600
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -10.167
flat angles C4'-P-C4' energy: 1.581
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: 6.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 430
Temperature: 2.433333
Total energy: -42.241542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.241542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.241542 (E_RNA)
where:
Base-Base interactions energy: -11.494
where: short stacking energy: -7.611
Base-Backbone interact. energy: -0.984
local terms energy: -29.763336
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -7.621
flat angles P-C4'-P energy: -0.593
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: 7, replica: 3
=====================================
Write number: 430
Temperature: 2.450000
Total energy: -42.595586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.595586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.595586 (E_RNA)
where:
Base-Base interactions energy: -11.601
where: short stacking energy: -10.266
Base-Backbone interact. energy: -0.267
local terms energy: -30.727623
where:
bonds (distance) C4'-P energy: -8.397
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -9.153
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: 9.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 430
Temperature: 2.466667
Total energy: -37.339211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.339211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.339211 (E_RNA)
where:
Base-Base interactions energy: -8.677
where: short stacking energy: -9.377
Base-Backbone interact. energy: -0.242
local terms energy: -28.420532
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -0.560
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: 10.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 2.483333
Total energy: -38.837922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.837922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.837922 (E_RNA)
where:
Base-Base interactions energy: -12.528
where: short stacking energy: -10.084
Base-Backbone interact. energy: -1.004
local terms energy: -25.306102
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -2.931
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: 7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 430
Temperature: 2.500000
Total energy: -35.105752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.105752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.105752 (E_RNA)
where:
Base-Base interactions energy: -2.123
where: short stacking energy: -1.254
Base-Backbone interact. energy: 0.853
local terms energy: -33.835324
where:
bonds (distance) C4'-P energy: -9.233
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -6.944
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: 7.276
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: 5
=====================================
Write number: 431
Temperature: 2.350000
Total energy: -37.752090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.752090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.752090 (E_RNA)
where:
Base-Base interactions energy: -11.572
where: short stacking energy: -8.001
Base-Backbone interact. energy: -0.048
local terms energy: -26.131592
where:
bonds (distance) C4'-P energy: -6.957
bonds (distance) P-C4' energy: -6.856
flat angles C4'-P-C4' energy: -4.472
flat angles P-C4'-P energy: -8.307
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: 2, replica: 4
=====================================
Write number: 431
Temperature: 2.366667
Total energy: -33.270379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.270379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.270379 (E_RNA)
where:
Base-Base interactions energy: -2.406
where: short stacking energy: -1.025
Base-Backbone interact. energy: -0.316
local terms energy: -30.548867
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -7.839
flat angles P-C4'-P energy: -3.478
tors. eta vs tors. theta energy: 5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 431
Temperature: 2.383333
Total energy: -39.598590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.598590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.598590 (E_RNA)
where:
Base-Base interactions energy: -3.237
where: short stacking energy: -0.062
Base-Backbone interact. energy: -0.123
local terms energy: -36.238899
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: 9.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 431
Temperature: 2.400000
Total energy: -38.863634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.863634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.863634 (E_RNA)
where:
Base-Base interactions energy: -8.387
where: short stacking energy: -8.387
Base-Backbone interact. energy: -0.374
local terms energy: -30.102673
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: 0.524
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: 5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 431
Temperature: 2.416667
Total energy: -33.667666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.667666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.667666 (E_RNA)
where:
Base-Base interactions energy: -6.178
where: short stacking energy: -6.178
Base-Backbone interact. energy: 2.427
local terms energy: -29.915969
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -5.601
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: 10.070
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: 431
Temperature: 2.433333
Total energy: -36.669115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.669115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.669115 (E_RNA)
where:
Base-Base interactions energy: -4.024
where: short stacking energy: -2.401
Base-Backbone interact. energy: 0.350
local terms energy: -32.995251
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -5.623
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: 6.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 2.450000
Total energy: -39.016684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.016684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.016684 (E_RNA)
where:
Base-Base interactions energy: -2.351
where: short stacking energy: -1.172
Base-Backbone interact. energy: 1.183
local terms energy: -37.847871
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: 1.477
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: 8, replica: 9
=====================================
Write number: 431
Temperature: 2.466667
Total energy: -38.276793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.276793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.276793 (E_RNA)
where:
Base-Base interactions energy: -2.698
where: short stacking energy: -2.317
Base-Backbone interact. energy: 0.001
local terms energy: -35.579713
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -3.981
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: 6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 431
Temperature: 2.483333
Total energy: -36.486115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.486115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.486115 (E_RNA)
where:
Base-Base interactions energy: -1.673
where: short stacking energy: -2.873
Base-Backbone interact. energy: -0.154
local terms energy: -34.659507
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: 8.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 431
Temperature: 2.500000
Total energy: -37.437526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.437526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.437526 (E_RNA)
where:
Base-Base interactions energy: -4.235
where: short stacking energy: -4.235
Base-Backbone interact. energy: -0.132
local terms energy: -33.071011
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -4.032
flat angles P-C4'-P energy: -3.449
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: 1, replica: 4
=====================================
Write number: 432
Temperature: 2.350000
Total energy: -43.004652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.004652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.004652 (E_RNA)
where:
Base-Base interactions energy: -7.807
where: short stacking energy: -7.807
Base-Backbone interact. energy: 1.567
local terms energy: -36.764811
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -7.911
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: 4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 432
Temperature: 2.366667
Total energy: -39.570959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.570959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.570959 (E_RNA)
where:
Base-Base interactions energy: -5.072
where: short stacking energy: -7.124
Base-Backbone interact. energy: -0.836
local terms energy: -33.663385
where:
bonds (distance) C4'-P energy: -5.121
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: 7.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 2.383333
Total energy: -45.375613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.375613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.375613 (E_RNA)
where:
Base-Base interactions energy: -6.711
where: short stacking energy: -4.527
Base-Backbone interact. energy: -0.108
local terms energy: -38.557156
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -0.862
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: 4, replica: 2
=====================================
Write number: 432
Temperature: 2.400000
Total energy: -41.848974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.848974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.848974 (E_RNA)
where:
Base-Base interactions energy: -6.412
where: short stacking energy: -1.894
Base-Backbone interact. energy: -0.606
local terms energy: -34.831163
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -2.207
tors. eta vs tors. theta energy: 12.743
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: 3
=====================================
Write number: 432
Temperature: 2.416667
Total energy: -35.208362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.208362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.208362 (E_RNA)
where:
Base-Base interactions energy: -9.098
where: short stacking energy: -9.098
Base-Backbone interact. energy: -0.034
local terms energy: -26.077048
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -10.097
flat angles C4'-P-C4' energy: -8.381
flat angles P-C4'-P energy: 0.991
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: 6, replica: 6
=====================================
Write number: 432
Temperature: 2.433333
Total energy: -35.941624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.941624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.941624 (E_RNA)
where:
Base-Base interactions energy: -3.003
where: short stacking energy: -3.368
Base-Backbone interact. energy: -0.225
local terms energy: -32.713839
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -10.427
flat angles C4'-P-C4' energy: -4.745
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: 4.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 432
Temperature: 2.450000
Total energy: -37.226249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.226249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.226249 (E_RNA)
where:
Base-Base interactions energy: -1.645
where: short stacking energy: -1.530
Base-Backbone interact. energy: 0.184
local terms energy: -35.765278
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -9.174
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: 6.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 2.466667
Total energy: -33.416819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.416819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.416819 (E_RNA)
where:
Base-Base interactions energy: -3.115
where: short stacking energy: -3.115
Base-Backbone interact. energy: -0.201
local terms energy: -30.101119
where:
bonds (distance) C4'-P energy: -8.204
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: 8.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 432
Temperature: 2.483333
Total energy: -36.694868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.694868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.694868 (E_RNA)
where:
Base-Base interactions energy: -3.867
where: short stacking energy: -3.763
Base-Backbone interact. energy: -0.330
local terms energy: -32.497394
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: 1.178
tors. eta vs tors. theta energy: 9.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 432
Temperature: 2.500000
Total energy: -41.032257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.032257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.032257 (E_RNA)
where:
Base-Base interactions energy: -2.610
where: short stacking energy: -2.224
Base-Backbone interact. energy: -0.282
local terms energy: -38.140231
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -8.825
flat angles P-C4'-P energy: -5.883
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: 1, replica: 4
=====================================
Write number: 433
Temperature: 2.350000
Total energy: -36.798676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.798676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.798676 (E_RNA)
where:
Base-Base interactions energy: -6.936
where: short stacking energy: -4.863
Base-Backbone interact. energy: -0.190
local terms energy: -29.672697
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -11.615
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: 10.954
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: 7
=====================================
Write number: 433
Temperature: 2.366667
Total energy: -42.487043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.487043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.487043 (E_RNA)
where:
Base-Base interactions energy: -9.609
where: short stacking energy: -9.576
Base-Backbone interact. energy: -0.256
local terms energy: -32.622349
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -7.262
flat angles P-C4'-P energy: -2.886
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: 3, replica: 5
=====================================
Write number: 433
Temperature: 2.383333
Total energy: -47.046291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.046291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.046291 (E_RNA)
where:
Base-Base interactions energy: -9.039
where: short stacking energy: -8.067
Base-Backbone interact. energy: 2.093
local terms energy: -40.100361
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -7.051
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: 4.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 433
Temperature: 2.400000
Total energy: -37.262050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.262050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.262050 (E_RNA)
where:
Base-Base interactions energy: -6.545
where: short stacking energy: -6.545
Base-Backbone interact. energy: -0.974
local terms energy: -29.742883
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -9.028
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: 7.557
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: 5, replica: 2
=====================================
Write number: 433
Temperature: 2.416667
Total energy: -43.573680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.573680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.573680 (E_RNA)
where:
Base-Base interactions energy: -4.948
where: short stacking energy: -4.948
Base-Backbone interact. energy: 1.257
local terms energy: -39.883001
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: 7.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 433
Temperature: 2.433333
Total energy: -37.870899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.870899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.870899 (E_RNA)
where:
Base-Base interactions energy: -9.786
where: short stacking energy: -9.786
Base-Backbone interact. energy: 0.232
local terms energy: -28.316836
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -4.276
flat angles C4'-P-C4' energy: -6.366
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: 0.845
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: 6
=====================================
Write number: 433
Temperature: 2.450000
Total energy: -43.729053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.729053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.729053 (E_RNA)
where:
Base-Base interactions energy: -5.404
where: short stacking energy: -4.897
Base-Backbone interact. energy: -0.691
local terms energy: -37.633651
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -9.593
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: 1
=====================================
Write number: 433
Temperature: 2.466667
Total energy: -37.104032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.104032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.104032 (E_RNA)
where:
Base-Base interactions energy: -5.627
where: short stacking energy: -3.989
Base-Backbone interact. energy: -0.533
local terms energy: -30.944168
where:
bonds (distance) C4'-P energy: -8.663
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -3.226
tors. eta vs tors. theta energy: 4.905
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: 8
=====================================
Write number: 433
Temperature: 2.483333
Total energy: -37.291320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.291320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.291320 (E_RNA)
where:
Base-Base interactions energy: -9.340
where: short stacking energy: -3.758
Base-Backbone interact. energy: -0.374
local terms energy: -27.576566
where:
bonds (distance) C4'-P energy: -6.619
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -3.701
tors. eta vs tors. theta energy: 6.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 433
Temperature: 2.500000
Total energy: -33.069473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.069473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.069473 (E_RNA)
where:
Base-Base interactions energy: -4.034
where: short stacking energy: -4.034
Base-Backbone interact. energy: -0.238
local terms energy: -28.797290
where:
bonds (distance) C4'-P energy: -4.744
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -7.449
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: 1, replica: 7
=====================================
Write number: 434
Temperature: 2.350000
Total energy: -40.020965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.020965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.020965 (E_RNA)
where:
Base-Base interactions energy: -4.904
where: short stacking energy: -4.744
Base-Backbone interact. energy: -0.274
local terms energy: -34.843110
where:
bonds (distance) C4'-P energy: -9.873
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: 8.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 434
Temperature: 2.366667
Total energy: -41.059239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.059239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.059239 (E_RNA)
where:
Base-Base interactions energy: -4.160
where: short stacking energy: -4.160
Base-Backbone interact. energy: -0.223
local terms energy: -36.676004
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -8.348
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: 3, replica: 3
=====================================
Write number: 434
Temperature: 2.383333
Total energy: -36.667185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.667185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.667185 (E_RNA)
where:
Base-Base interactions energy: -9.746
where: short stacking energy: -9.746
Base-Backbone interact. energy: -0.294
local terms energy: -26.627381
where:
bonds (distance) C4'-P energy: -5.000
bonds (distance) P-C4' energy: -9.804
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: 5.748
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: 5
=====================================
Write number: 434
Temperature: 2.400000
Total energy: -48.557176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.557176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.557176 (E_RNA)
where:
Base-Base interactions energy: -9.640
where: short stacking energy: -6.393
Base-Backbone interact. energy: -0.663
local terms energy: -38.254249
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -11.213
flat angles C4'-P-C4' energy: -8.932
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: 8.072
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: 9
=====================================
Write number: 434
Temperature: 2.416667
Total energy: -40.584144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.584144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.584144 (E_RNA)
where:
Base-Base interactions energy: -11.272
where: short stacking energy: -9.379
Base-Backbone interact. energy: -0.271
local terms energy: -29.041840
where:
bonds (distance) C4'-P energy: -8.068
bonds (distance) P-C4' energy: -9.674
flat angles C4'-P-C4' energy: -7.624
flat angles P-C4'-P energy: -5.637
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: 6, replica: 2
=====================================
Write number: 434
Temperature: 2.433333
Total energy: -39.014311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.014311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.014311 (E_RNA)
where:
Base-Base interactions energy: -4.230
where: short stacking energy: -3.883
Base-Backbone interact. energy: -0.213
local terms energy: -34.571287
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -8.642
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: 8.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 434
Temperature: 2.450000
Total energy: -39.856622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.856622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.856622 (E_RNA)
where:
Base-Base interactions energy: -8.479
where: short stacking energy: -7.375
Base-Backbone interact. energy: -0.350
local terms energy: -31.027112
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -0.613
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: 6.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 434
Temperature: 2.466667
Total energy: -39.159630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.159630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.159630 (E_RNA)
where:
Base-Base interactions energy: -5.051
where: short stacking energy: -4.684
Base-Backbone interact. energy: 1.559
local terms energy: -35.667612
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: 8.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 434
Temperature: 2.483333
Total energy: -33.857360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.857360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.857360 (E_RNA)
where:
Base-Base interactions energy: -7.489
where: short stacking energy: -7.489
Base-Backbone interact. energy: 2.366
local terms energy: -28.734395
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -8.098
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: 9.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 434
Temperature: 2.500000
Total energy: -33.205643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.205643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.205643 (E_RNA)
where:
Base-Base interactions energy: -6.485
where: short stacking energy: -5.743
Base-Backbone interact. energy: -0.705
local terms energy: -26.015281
where:
bonds (distance) C4'-P energy: -2.466
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: 6.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 435
Temperature: 2.350000
Total energy: -39.325196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.325196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.325196 (E_RNA)
where:
Base-Base interactions energy: -4.639
where: short stacking energy: -3.324
Base-Backbone interact. energy: -0.170
local terms energy: -34.516315
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -5.283
flat angles P-C4'-P energy: -6.550
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: 2, replica: 3
=====================================
Write number: 435
Temperature: 2.366667
Total energy: -41.603026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.603026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.603026 (E_RNA)
where:
Base-Base interactions energy: -10.543
where: short stacking energy: -8.728
Base-Backbone interact. energy: -0.170
local terms energy: -30.889881
where:
bonds (distance) C4'-P energy: -7.924
bonds (distance) P-C4' energy: -9.613
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -5.103
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: 3, replica: 4
=====================================
Write number: 435
Temperature: 2.383333
Total energy: -42.153559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.153559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.153559 (E_RNA)
where:
Base-Base interactions energy: -1.813
where: short stacking energy: 0.000
Base-Backbone interact. energy: -1.160
local terms energy: -39.180413
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -7.595
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: 9.512
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: 9
=====================================
Write number: 435
Temperature: 2.400000
Total energy: -38.743618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.743618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.743618 (E_RNA)
where:
Base-Base interactions energy: -14.012
where: short stacking energy: -11.068
Base-Backbone interact. energy: -0.244
local terms energy: -24.487470
where:
bonds (distance) C4'-P energy: -7.190
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -0.858
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: 9.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 435
Temperature: 2.416667
Total energy: -34.877406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.877406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.877406 (E_RNA)
where:
Base-Base interactions energy: 0.194
where: short stacking energy: -2.689
Base-Backbone interact. energy: -0.598
local terms energy: -34.473833
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -2.044
flat angles P-C4'-P energy: -7.127
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: 6, replica: 1
=====================================
Write number: 435
Temperature: 2.433333
Total energy: -42.890869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.890869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.890869 (E_RNA)
where:
Base-Base interactions energy: -11.057
where: short stacking energy: -10.010
Base-Backbone interact. energy: -0.065
local terms energy: -31.768816
where:
bonds (distance) C4'-P energy: -7.867
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -4.228
tors. eta vs tors. theta energy: 6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 435
Temperature: 2.450000
Total energy: -45.267942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.267942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.267942 (E_RNA)
where:
Base-Base interactions energy: -11.784
where: short stacking energy: -12.694
Base-Backbone interact. energy: 2.191
local terms energy: -35.674772
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -3.063
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: 3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 435
Temperature: 2.466667
Total energy: -34.294362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.294362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.294362 (E_RNA)
where:
Base-Base interactions energy: -11.001
where: short stacking energy: -6.635
Base-Backbone interact. energy: 2.245
local terms energy: -25.538172
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: 2.121
tors. eta vs tors. theta energy: 10.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 435
Temperature: 2.483333
Total energy: -36.443002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.443002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.443002 (E_RNA)
where:
Base-Base interactions energy: -6.352
where: short stacking energy: -5.713
Base-Backbone interact. energy: 0.225
local terms energy: -30.315566
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -5.959
flat angles P-C4'-P energy: -4.124
tors. eta vs tors. theta energy: 11.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 2.500000
Total energy: -35.811967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.811967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.811967 (E_RNA)
where:
Base-Base interactions energy: -5.633
where: short stacking energy: -1.837
Base-Backbone interact. energy: 1.136
local terms energy: -31.314651
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -2.660
flat angles P-C4'-P energy: -3.406
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: 1, replica: 3
=====================================
Write number: 436
Temperature: 2.350000
Total energy: -40.287590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.287590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.287590 (E_RNA)
where:
Base-Base interactions energy: -6.976
where: short stacking energy: -6.563
Base-Backbone interact. energy: -0.410
local terms energy: -32.902012
where:
bonds (distance) C4'-P energy: -5.273
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -7.804
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: 6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 436
Temperature: 2.366667
Total energy: -38.609533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.609533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.609533 (E_RNA)
where:
Base-Base interactions energy: -5.160
where: short stacking energy: -5.960
Base-Backbone interact. energy: 2.112
local terms energy: -35.561779
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -6.623
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: 5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 436
Temperature: 2.383333
Total energy: -34.965408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.965408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.965408 (E_RNA)
where:
Base-Base interactions energy: -9.509
where: short stacking energy: -9.509
Base-Backbone interact. energy: -0.085
local terms energy: -25.371929
where:
bonds (distance) C4'-P energy: -6.489
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -5.270
flat angles P-C4'-P energy: -3.427
tors. eta vs tors. theta energy: 8.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 436
Temperature: 2.400000
Total energy: -41.415388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.415388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.415388 (E_RNA)
where:
Base-Base interactions energy: -11.763
where: short stacking energy: -11.763
Base-Backbone interact. energy: -0.231
local terms energy: -29.421796
where:
bonds (distance) C4'-P energy: -8.101
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -8.536
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: 8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 436
Temperature: 2.416667
Total energy: -34.382782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.382782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.382782 (E_RNA)
where:
Base-Base interactions energy: -15.960
where: short stacking energy: -12.204
Base-Backbone interact. energy: 0.245
local terms energy: -18.667754
where:
bonds (distance) C4'-P energy: -6.512
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -4.522
flat angles P-C4'-P energy: -3.097
tors. eta vs tors. theta energy: 8.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 2.433333
Total energy: -32.159016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.159016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.159016 (E_RNA)
where:
Base-Base interactions energy: -4.532
where: short stacking energy: -4.135
Base-Backbone interact. energy: -0.432
local terms energy: -27.194398
where:
bonds (distance) C4'-P energy: -7.678
bonds (distance) P-C4' energy: -3.792
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: 6.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 436
Temperature: 2.450000
Total energy: -38.740435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.740435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.740435 (E_RNA)
where:
Base-Base interactions energy: -7.232
where: short stacking energy: -6.562
Base-Backbone interact. energy: 0.120
local terms energy: -31.628414
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -5.265
flat angles P-C4'-P energy: -3.609
tors. eta vs tors. theta energy: 9.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 436
Temperature: 2.466667
Total energy: -38.800700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.800700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.800700 (E_RNA)
where:
Base-Base interactions energy: -7.249
where: short stacking energy: -7.249
Base-Backbone interact. energy: -0.282
local terms energy: -31.269557
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: 0.777
tors. eta vs tors. theta energy: 6.308
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: 8
=====================================
Write number: 436
Temperature: 2.483333
Total energy: -36.958657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.958657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.958657 (E_RNA)
where:
Base-Base interactions energy: -4.310
where: short stacking energy: -4.310
Base-Backbone interact. energy: -0.054
local terms energy: -32.594450
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -6.148
flat angles P-C4'-P energy: -2.293
tors. eta vs tors. theta energy: 11.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 436
Temperature: 2.500000
Total energy: -36.368928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.368928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.368928 (E_RNA)
where:
Base-Base interactions energy: -4.663
where: short stacking energy: -3.521
Base-Backbone interact. energy: -0.423
local terms energy: -31.282709
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -3.522
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: 9.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 437
Temperature: 2.350000
Total energy: -42.420206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.420206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.420206 (E_RNA)
where:
Base-Base interactions energy: -6.051
where: short stacking energy: -6.051
Base-Backbone interact. energy: -1.013
local terms energy: -35.356158
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -5.225
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: 8.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 437
Temperature: 2.366667
Total energy: -37.951549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.951549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.951549 (E_RNA)
where:
Base-Base interactions energy: -9.263
where: short stacking energy: -6.011
Base-Backbone interact. energy: -0.323
local terms energy: -28.365402
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: 2.413
tors. eta vs tors. theta energy: 8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 437
Temperature: 2.383333
Total energy: -35.683649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.683649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.683649 (E_RNA)
where:
Base-Base interactions energy: -10.141
where: short stacking energy: -8.951
Base-Backbone interact. energy: 1.415
local terms energy: -26.958123
where:
bonds (distance) C4'-P energy: -8.161
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -4.298
flat angles P-C4'-P energy: -6.472
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: 4, replica: 1
=====================================
Write number: 437
Temperature: 2.400000
Total energy: -32.552214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.552214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.552214 (E_RNA)
where:
Base-Base interactions energy: -8.882
where: short stacking energy: -8.287
Base-Backbone interact. energy: -0.594
local terms energy: -23.076364
where:
bonds (distance) C4'-P energy: -7.124
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -8.674
flat angles P-C4'-P energy: 1.289
tors. eta vs tors. theta energy: 6.014
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: 4
=====================================
Write number: 437
Temperature: 2.416667
Total energy: -45.521762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.521762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.521762 (E_RNA)
where:
Base-Base interactions energy: -9.955
where: short stacking energy: -9.577
Base-Backbone interact. energy: -0.728
local terms energy: -34.838240
where:
bonds (distance) C4'-P energy: -8.427
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -10.083
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: 6, replica: 10
=====================================
Write number: 437
Temperature: 2.433333
Total energy: -38.665430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.665430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.665430 (E_RNA)
where:
Base-Base interactions energy: -9.292
where: short stacking energy: -9.292
Base-Backbone interact. energy: -0.127
local terms energy: -29.246456
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -9.697
flat angles C4'-P-C4' energy: -1.136
flat angles P-C4'-P energy: -7.766
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: 5
=====================================
Write number: 437
Temperature: 2.450000
Total energy: -35.086357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.086357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.086357 (E_RNA)
where:
Base-Base interactions energy: -11.087
where: short stacking energy: -4.445
Base-Backbone interact. energy: -0.173
local terms energy: -23.826469
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -2.279
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: 7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 2.466667
Total energy: -39.057457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.057457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.057457 (E_RNA)
where:
Base-Base interactions energy: -11.233
where: short stacking energy: -10.601
Base-Backbone interact. energy: -0.037
local terms energy: -27.787611
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -8.175
flat angles C4'-P-C4' energy: -8.770
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: 2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 437
Temperature: 2.483333
Total energy: -35.675036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.675036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.675036 (E_RNA)
where:
Base-Base interactions energy: -12.564
where: short stacking energy: -9.951
Base-Backbone interact. energy: -0.229
local terms energy: -22.881988
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -4.942
flat angles C4'-P-C4' energy: -4.058
flat angles P-C4'-P energy: -0.628
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: 10, replica: 6
=====================================
Write number: 437
Temperature: 2.500000
Total energy: -37.116807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.116807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.116807 (E_RNA)
where:
Base-Base interactions energy: -10.147
where: short stacking energy: -8.422
Base-Backbone interact. energy: 0.764
local terms energy: -27.733227
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -8.388
flat angles P-C4'-P energy: -3.851
tors. eta vs tors. theta energy: 8.216
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: 9
=====================================
Write number: 438
Temperature: 2.350000
Total energy: -37.943111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.943111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.943111 (E_RNA)
where:
Base-Base interactions energy: 0.507
where: short stacking energy: 0.507
Base-Backbone interact. energy: -0.342
local terms energy: -38.107464
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -9.253
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: 12.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 438
Temperature: 2.366667
Total energy: -60.184781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.184781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.184781 (E_RNA)
where:
Base-Base interactions energy: -11.686
where: short stacking energy: -7.959
Base-Backbone interact. energy: -0.892
local terms energy: -47.606613
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -8.368
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: 3, replica: 1
=====================================
Write number: 438
Temperature: 2.383333
Total energy: -41.378905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.378905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.378905 (E_RNA)
where:
Base-Base interactions energy: -16.875
where: short stacking energy: -16.808
Base-Backbone interact. energy: -0.279
local terms energy: -24.224598
where:
bonds (distance) C4'-P energy: -8.084
bonds (distance) P-C4' energy: -8.065
flat angles C4'-P-C4' energy: -8.090
flat angles P-C4'-P energy: -2.901
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: 4, replica: 7
=====================================
Write number: 438
Temperature: 2.400000
Total energy: -37.679913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.679913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.679913 (E_RNA)
where:
Base-Base interactions energy: -1.321
where: short stacking energy: -0.817
Base-Backbone interact. energy: -0.171
local terms energy: -36.187889
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -1.855
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: 6.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 438
Temperature: 2.416667
Total energy: -40.504521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.504521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.504521 (E_RNA)
where:
Base-Base interactions energy: -15.770
where: short stacking energy: -15.770
Base-Backbone interact. energy: -0.049
local terms energy: -24.685463
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -0.560
flat angles P-C4'-P energy: -3.782
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: 6, replica: 4
=====================================
Write number: 438
Temperature: 2.433333
Total energy: -32.771563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.771563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.771563 (E_RNA)
where:
Base-Base interactions energy: -7.986
where: short stacking energy: -3.306
Base-Backbone interact. energy: -0.255
local terms energy: -24.529615
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -8.975
flat angles C4'-P-C4' energy: -8.549
flat angles P-C4'-P energy: -2.655
tors. eta vs tors. theta energy: 12.332
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: 7, replica: 8
=====================================
Write number: 438
Temperature: 2.450000
Total energy: -37.170412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.170412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.170412 (E_RNA)
where:
Base-Base interactions energy: -3.403
where: short stacking energy: -2.327
Base-Backbone interact. energy: -0.957
local terms energy: -32.810101
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -8.901
flat angles P-C4'-P energy: -0.799
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: 8, replica: 5
=====================================
Write number: 438
Temperature: 2.466667
Total energy: -41.217618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.217618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.217618 (E_RNA)
where:
Base-Base interactions energy: -15.685
where: short stacking energy: -13.224
Base-Backbone interact. energy: 0.061
local terms energy: -25.593039
where:
bonds (distance) C4'-P energy: -8.771
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -3.421
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: 6.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 438
Temperature: 2.483333
Total energy: -38.152340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.152340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.152340 (E_RNA)
where:
Base-Base interactions energy: -5.810
where: short stacking energy: -4.576
Base-Backbone interact. energy: -0.747
local terms energy: -31.595755
where:
bonds (distance) C4'-P energy: -9.575
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: 0.434
tors. eta vs tors. theta energy: 6.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 438
Temperature: 2.500000
Total energy: -38.674634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.674634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.674634 (E_RNA)
where:
Base-Base interactions energy: -4.628
where: short stacking energy: -4.265
Base-Backbone interact. energy: -0.365
local terms energy: -33.682171
where:
bonds (distance) C4'-P energy: -8.970
bonds (distance) P-C4' energy: -19.401
flat angles C4'-P-C4' energy: -3.826
flat angles P-C4'-P energy: -1.424
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: 1, replica: 9
=====================================
Write number: 439
Temperature: 2.350000
Total energy: -37.882056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.882056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.882056 (E_RNA)
where:
Base-Base interactions energy: -6.808
where: short stacking energy: -6.808
Base-Backbone interact. energy: -0.107
local terms energy: -30.967069
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -0.780
tors. eta vs tors. theta energy: 6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 439
Temperature: 2.366667
Total energy: -42.772620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.772620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.772620 (E_RNA)
where:
Base-Base interactions energy: -3.631
where: short stacking energy: -3.631
Base-Backbone interact. energy: -0.393
local terms energy: -38.748701
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -4.288
tors. eta vs tors. theta energy: 9.656
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: 439
Temperature: 2.383333
Total energy: -36.418061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.418061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.418061 (E_RNA)
where:
Base-Base interactions energy: -0.637
where: short stacking energy: -0.637
Base-Backbone interact. energy: -0.308
local terms energy: -35.473136
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -4.879
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: 4, replica: 10
=====================================
Write number: 439
Temperature: 2.400000
Total energy: -35.808653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.808653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.808653 (E_RNA)
where:
Base-Base interactions energy: -7.109
where: short stacking energy: -2.627
Base-Backbone interact. energy: 1.629
local terms energy: -30.328437
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -9.262
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: 8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 439
Temperature: 2.416667
Total energy: -35.292597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.292597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.292597 (E_RNA)
where:
Base-Base interactions energy: -4.502
where: short stacking energy: -2.418
Base-Backbone interact. energy: 1.114
local terms energy: -31.904317
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: 6.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 439
Temperature: 2.433333
Total energy: -37.171213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.171213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.171213 (E_RNA)
where:
Base-Base interactions energy: -6.366
where: short stacking energy: -2.636
Base-Backbone interact. energy: 2.765
local terms energy: -33.571058
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -9.613
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: 9.387
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: 4
=====================================
Write number: 439
Temperature: 2.450000
Total energy: -33.968900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.968900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.968900 (E_RNA)
where:
Base-Base interactions energy: -4.303
where: short stacking energy: -4.036
Base-Backbone interact. energy: -0.221
local terms energy: -29.444482
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -8.749
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: 8.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 2.466667
Total energy: -33.607418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.607418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.607418 (E_RNA)
where:
Base-Base interactions energy: -4.364
where: short stacking energy: -4.612
Base-Backbone interact. energy: 4.448
local terms energy: -33.691458
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -4.040
tors. eta vs tors. theta energy: 8.009
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: 9, replica: 5
=====================================
Write number: 439
Temperature: 2.483333
Total energy: -37.763686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.763686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.763686 (E_RNA)
where:
Base-Base interactions energy: -4.817
where: short stacking energy: -4.817
Base-Backbone interact. energy: 1.272
local terms energy: -34.219169
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: 2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 439
Temperature: 2.500000
Total energy: -37.635452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.635452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.635452 (E_RNA)
where:
Base-Base interactions energy: -6.109
where: short stacking energy: -4.556
Base-Backbone interact. energy: -0.357
local terms energy: -31.169269
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -2.356
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: 7.728
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: 1
=====================================
Write number: 440
Temperature: 2.350000
Total energy: -36.012544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.012544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.012544 (E_RNA)
where:
Base-Base interactions energy: -8.298
where: short stacking energy: -8.007
Base-Backbone interact. energy: 2.911
local terms energy: -30.625644
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -9.630
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -4.244
tors. eta vs tors. theta energy: 7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 440
Temperature: 2.366667
Total energy: -38.614356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.614356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.614356 (E_RNA)
where:
Base-Base interactions energy: -4.045
where: short stacking energy: -4.045
Base-Backbone interact. energy: -0.399
local terms energy: -34.170638
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -8.182
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -9.514
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: 3, replica: 10
=====================================
Write number: 440
Temperature: 2.383333
Total energy: -38.530316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.530316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.530316 (E_RNA)
where:
Base-Base interactions energy: -8.753
where: short stacking energy: -8.192
Base-Backbone interact. energy: -0.182
local terms energy: -29.595425
where:
bonds (distance) C4'-P energy: -6.167
bonds (distance) P-C4' energy: -5.444
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: 2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 440
Temperature: 2.400000
Total energy: -36.836890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.836890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.836890 (E_RNA)
where:
Base-Base interactions energy: -9.991
where: short stacking energy: -9.228
Base-Backbone interact. energy: 0.349
local terms energy: -27.194003
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -2.775
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: 8.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 440
Temperature: 2.416667
Total energy: -42.430772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.430772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.430772 (E_RNA)
where:
Base-Base interactions energy: -11.008
where: short stacking energy: -4.503
Base-Backbone interact. energy: -0.171
local terms energy: -31.251335
where:
bonds (distance) C4'-P energy: -6.201
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -8.901
flat angles P-C4'-P energy: -10.968
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: 6, replica: 7
=====================================
Write number: 440
Temperature: 2.433333
Total energy: -39.191322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.191322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.191322 (E_RNA)
where:
Base-Base interactions energy: -3.548
where: short stacking energy: -3.548
Base-Backbone interact. energy: -0.467
local terms energy: -35.176980
where:
bonds (distance) C4'-P energy: -8.063
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -9.341
flat angles P-C4'-P energy: -3.240
tors. eta vs tors. theta energy: 2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 440
Temperature: 2.450000
Total energy: -42.645644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.645644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.645644 (E_RNA)
where:
Base-Base interactions energy: -11.774
where: short stacking energy: -9.112
Base-Backbone interact. energy: -0.620
local terms energy: -30.251425
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -8.806
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: 7.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 2.466667
Total energy: -33.648229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.648229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.648229 (E_RNA)
where:
Base-Base interactions energy: -11.416
where: short stacking energy: -9.739
Base-Backbone interact. energy: -0.092
local terms energy: -22.140727
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -6.656
flat angles C4'-P-C4' energy: -4.097
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: 7.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 440
Temperature: 2.483333
Total energy: -38.551211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.551211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.551211 (E_RNA)
where:
Base-Base interactions energy: -0.856
where: short stacking energy: 0.718
Base-Backbone interact. energy: -0.541
local terms energy: -37.153792
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: 11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 440
Temperature: 2.500000
Total energy: -42.035626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.035626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.035626 (E_RNA)
where:
Base-Base interactions energy: -13.679
where: short stacking energy: -11.123
Base-Backbone interact. energy: 1.115
local terms energy: -29.471631
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -4.864
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: 1, replica: 1
=====================================
Write number: 441
Temperature: 2.350000
Total energy: -41.119238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.119238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.119238 (E_RNA)
where:
Base-Base interactions energy: -18.525
where: short stacking energy: -16.685
Base-Backbone interact. energy: -0.136
local terms energy: -22.457880
where:
bonds (distance) C4'-P energy: -4.552
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -2.945
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: 6.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 441
Temperature: 2.366667
Total energy: -43.629542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.629542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.629542 (E_RNA)
where:
Base-Base interactions energy: -9.021
where: short stacking energy: -8.771
Base-Backbone interact. energy: -0.883
local terms energy: -33.726394
where:
bonds (distance) C4'-P energy: -7.177
bonds (distance) P-C4' energy: -9.031
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -8.826
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: 3, replica: 9
=====================================
Write number: 441
Temperature: 2.383333
Total energy: -44.042894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.042894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.042894 (E_RNA)
where:
Base-Base interactions energy: -5.377
where: short stacking energy: -3.516
Base-Backbone interact. energy: 0.369
local terms energy: -39.034095
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: 8.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 441
Temperature: 2.400000
Total energy: -37.897304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.897304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.897304 (E_RNA)
where:
Base-Base interactions energy: -10.641
where: short stacking energy: -9.996
Base-Backbone interact. energy: -0.118
local terms energy: -27.138944
where:
bonds (distance) C4'-P energy: -1.067
bonds (distance) P-C4' energy: -10.632
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: 0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 441
Temperature: 2.416667
Total energy: -34.058659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.058659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.058659 (E_RNA)
where:
Base-Base interactions energy: -9.794
where: short stacking energy: -9.507
Base-Backbone interact. energy: -0.514
local terms energy: -23.750624
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -7.293
flat angles P-C4'-P energy: 6.384
tors. eta vs tors. theta energy: 3.319
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: 6
=====================================
Write number: 441
Temperature: 2.433333
Total energy: -33.246893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.246893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.246893 (E_RNA)
where:
Base-Base interactions energy: -2.159
where: short stacking energy: -1.863
Base-Backbone interact. energy: 0.795
local terms energy: -31.882141
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -6.104
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: 6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 441
Temperature: 2.450000
Total energy: -43.014907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.014907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.014907 (E_RNA)
where:
Base-Base interactions energy: -5.852
where: short stacking energy: -4.952
Base-Backbone interact. energy: 0.175
local terms energy: -37.337546
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -0.907
tors. eta vs tors. theta energy: 6.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 441
Temperature: 2.466667
Total energy: -31.807236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.807236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.807236 (E_RNA)
where:
Base-Base interactions energy: -6.276
where: short stacking energy: -5.461
Base-Backbone interact. energy: -0.350
local terms energy: -25.181369
where:
bonds (distance) C4'-P energy: -8.591
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: 12.174
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: 4
=====================================
Write number: 441
Temperature: 2.483333
Total energy: -36.299316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.299316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.299316 (E_RNA)
where:
Base-Base interactions energy: -7.276
where: short stacking energy: -5.937
Base-Backbone interact. energy: -0.300
local terms energy: -28.723178
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -2.296
tors. eta vs tors. theta energy: 10.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 441
Temperature: 2.500000
Total energy: -37.273436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.273436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.273436 (E_RNA)
where:
Base-Base interactions energy: -6.405
where: short stacking energy: -6.405
Base-Backbone interact. energy: -0.049
local terms energy: -30.819533
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: 1.201
tors. eta vs tors. theta energy: 3.500
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: 1, replica: 10
=====================================
Write number: 442
Temperature: 2.350000
Total energy: -35.530307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.530307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.530307 (E_RNA)
where:
Base-Base interactions energy: -4.145
where: short stacking energy: -4.130
Base-Backbone interact. energy: -0.159
local terms energy: -31.225949
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -6.625
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: 6.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 442
Temperature: 2.366667
Total energy: -38.379405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.379405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.379405 (E_RNA)
where:
Base-Base interactions energy: -9.072
where: short stacking energy: -9.948
Base-Backbone interact. energy: 0.059
local terms energy: -29.366005
where:
bonds (distance) C4'-P energy: -9.024
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: 11.223
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: 3, replica: 8
=====================================
Write number: 442
Temperature: 2.383333
Total energy: -37.838214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.838214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.838214 (E_RNA)
where:
Base-Base interactions energy: -8.705
where: short stacking energy: -8.705
Base-Backbone interact. energy: 1.514
local terms energy: -30.646405
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -7.830
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: 7.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 442
Temperature: 2.400000
Total energy: -33.470718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.470718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.470718 (E_RNA)
where:
Base-Base interactions energy: -12.045
where: short stacking energy: -9.339
Base-Backbone interact. energy: 2.955
local terms energy: -24.380665
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -7.857
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -4.053
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: 6
=====================================
Write number: 442
Temperature: 2.416667
Total energy: -34.684780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.684780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.684780 (E_RNA)
where:
Base-Base interactions energy: -14.968
where: short stacking energy: -14.373
Base-Backbone interact. energy: -0.199
local terms energy: -19.518269
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -0.263
flat angles P-C4'-P energy: 3.909
tors. eta vs tors. theta energy: 5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 2.433333
Total energy: -33.664882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.664882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.664882 (E_RNA)
where:
Base-Base interactions energy: -3.082
where: short stacking energy: -2.511
Base-Backbone interact. energy: -0.269
local terms energy: -30.314471
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: 11.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 2.450000
Total energy: -39.479175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.479175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.479175 (E_RNA)
where:
Base-Base interactions energy: -7.972
where: short stacking energy: -9.172
Base-Backbone interact. energy: -0.160
local terms energy: -31.347280
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -5.371
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: 10.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 2.466667
Total energy: -45.403618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.403618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.403618 (E_RNA)
where:
Base-Base interactions energy: -8.582
where: short stacking energy: -8.582
Base-Backbone interact. energy: 1.449
local terms energy: -38.270191
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -6.804
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: 3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 442
Temperature: 2.483333
Total energy: -36.929425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.929425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.929425 (E_RNA)
where:
Base-Base interactions energy: -11.825
where: short stacking energy: -8.967
Base-Backbone interact. energy: -0.235
local terms energy: -24.868563
where:
bonds (distance) C4'-P energy: -1.796
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -5.623
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: 10, replica: 4
=====================================
Write number: 442
Temperature: 2.500000
Total energy: -37.337137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.337137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.337137 (E_RNA)
where:
Base-Base interactions energy: -3.935
where: short stacking energy: -3.005
Base-Backbone interact. energy: -0.795
local terms energy: -32.606647
where:
bonds (distance) C4'-P energy: -1.001
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: 6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 443
Temperature: 2.350000
Total energy: -39.111154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.111154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.111154 (E_RNA)
where:
Base-Base interactions energy: -6.054
where: short stacking energy: -6.054
Base-Backbone interact. energy: -0.117
local terms energy: -32.939564
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -9.336
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: 8.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 443
Temperature: 2.366667
Total energy: -37.793966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.793966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.793966 (E_RNA)
where:
Base-Base interactions energy: -11.616
where: short stacking energy: -9.562
Base-Backbone interact. energy: -0.202
local terms energy: -25.976052
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -5.369
flat angles C4'-P-C4' energy: -8.065
flat angles P-C4'-P energy: 1.466
tors. eta vs tors. theta energy: 0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 443
Temperature: 2.383333
Total energy: -40.589630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.589630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.589630 (E_RNA)
where:
Base-Base interactions energy: -10.514
where: short stacking energy: -8.857
Base-Backbone interact. energy: 0.656
local terms energy: -30.731118
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -5.158
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: 8.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 443
Temperature: 2.400000
Total energy: -37.635388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.635388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.635388 (E_RNA)
where:
Base-Base interactions energy: -8.995
where: short stacking energy: -5.726
Base-Backbone interact. energy: -0.251
local terms energy: -28.389029
where:
bonds (distance) C4'-P energy: -8.546
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: 0.940
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: 4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 443
Temperature: 2.416667
Total energy: -43.804975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.804975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.804975 (E_RNA)
where:
Base-Base interactions energy: -5.146
where: short stacking energy: -0.274
Base-Backbone interact. energy: -0.505
local terms energy: -38.154220
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -8.086
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: 10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 443
Temperature: 2.433333
Total energy: -34.190869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.190869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.190869 (E_RNA)
where:
Base-Base interactions energy: -3.198
where: short stacking energy: -3.124
Base-Backbone interact. energy: 0.293
local terms energy: -31.285755
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -2.586
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: 7.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 443
Temperature: 2.450000
Total energy: -36.762568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.762568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.762568 (E_RNA)
where:
Base-Base interactions energy: -0.332
where: short stacking energy: -0.932
Base-Backbone interact. energy: -0.292
local terms energy: -36.138848
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -3.903
tors. eta vs tors. theta energy: 4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 443
Temperature: 2.466667
Total energy: -37.643237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.643237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.643237 (E_RNA)
where:
Base-Base interactions energy: -7.538
where: short stacking energy: -7.538
Base-Backbone interact. energy: -0.226
local terms energy: -29.879411
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -9.628
flat angles C4'-P-C4' energy: -1.667
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: 1.941
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: 9, replica: 7
=====================================
Write number: 443
Temperature: 2.483333
Total energy: -34.986327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.986327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.986327 (E_RNA)
where:
Base-Base interactions energy: -8.489
where: short stacking energy: -8.489
Base-Backbone interact. energy: 0.570
local terms energy: -27.067244
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -9.864
flat angles C4'-P-C4' energy: -4.743
flat angles P-C4'-P energy: -3.014
tors. eta vs tors. theta energy: 2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 443
Temperature: 2.500000
Total energy: -37.931060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.931060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.931060 (E_RNA)
where:
Base-Base interactions energy: -7.262
where: short stacking energy: -7.262
Base-Backbone interact. energy: 4.985
local terms energy: -35.654561
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -1.558
tors. eta vs tors. theta energy: 2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 444
Temperature: 2.350000
Total energy: -38.769988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.769988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.769988 (E_RNA)
where:
Base-Base interactions energy: -10.932
where: short stacking energy: -7.166
Base-Backbone interact. energy: 0.548
local terms energy: -28.385580
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -9.973
flat angles C4'-P-C4' energy: -7.387
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: 9.764
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: 10
=====================================
Write number: 444
Temperature: 2.366667
Total energy: -34.782722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.782722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.782722 (E_RNA)
where:
Base-Base interactions energy: -10.661
where: short stacking energy: -7.616
Base-Backbone interact. energy: 2.318
local terms energy: -26.439778
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -5.165
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: 10.719
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: 3, replica: 6
=====================================
Write number: 444
Temperature: 2.383333
Total energy: -37.467631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.467631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.467631 (E_RNA)
where:
Base-Base interactions energy: -3.968
where: short stacking energy: -3.864
Base-Backbone interact. energy: 0.428
local terms energy: -33.927866
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -8.913
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: 10.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 444
Temperature: 2.400000
Total energy: -37.092594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.092594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.092594 (E_RNA)
where:
Base-Base interactions energy: -12.144
where: short stacking energy: -12.144
Base-Backbone interact. energy: -0.289
local terms energy: -24.659630
where:
bonds (distance) C4'-P energy: -5.956
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -7.531
flat angles P-C4'-P energy: -2.495
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: 444
Temperature: 2.416667
Total energy: -35.794851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.794851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.794851 (E_RNA)
where:
Base-Base interactions energy: -3.828
where: short stacking energy: -3.983
Base-Backbone interact. energy: -0.589
local terms energy: -31.378544
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -10.516
flat angles C4'-P-C4' energy: -8.053
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: 9.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 444
Temperature: 2.433333
Total energy: -37.349207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.349207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.349207 (E_RNA)
where:
Base-Base interactions energy: -8.836
where: short stacking energy: -5.088
Base-Backbone interact. energy: -0.292
local terms energy: -28.221843
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -5.854
flat angles C4'-P-C4' energy: -3.052
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: 3.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 444
Temperature: 2.450000
Total energy: -32.055911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.055911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.055911 (E_RNA)
where:
Base-Base interactions energy: 1.357
where: short stacking energy: 0.022
Base-Backbone interact. energy: 0.510
local terms energy: -33.923244
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -17.000
flat angles C4'-P-C4' energy: -6.769
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: 10.186
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: 3
=====================================
Write number: 444
Temperature: 2.466667
Total energy: -40.879764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.879764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.879764 (E_RNA)
where:
Base-Base interactions energy: -5.498
where: short stacking energy: -4.558
Base-Backbone interact. energy: 2.571
local terms energy: -37.953114
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -8.043
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: 9.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 2.483333
Total energy: -34.248532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.248532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.248532 (E_RNA)
where:
Base-Base interactions energy: -6.669
where: short stacking energy: -5.386
Base-Backbone interact. energy: 1.182
local terms energy: -28.762107
where:
bonds (distance) C4'-P energy: -6.526
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -1.740
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: 2.773
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: 10, replica: 7
=====================================
Write number: 444
Temperature: 2.500000
Total energy: -35.225796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.225796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.225796 (E_RNA)
where:
Base-Base interactions energy: -8.786
where: short stacking energy: -8.197
Base-Backbone interact. energy: 1.635
local terms energy: -28.074871
where:
bonds (distance) C4'-P energy: -8.281
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: 2.614
tors. eta vs tors. theta energy: 1.766
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: 8
=====================================
Write number: 445
Temperature: 2.350000
Total energy: -36.675556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.675556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.675556 (E_RNA)
where:
Base-Base interactions energy: -3.398
where: short stacking energy: -3.398
Base-Backbone interact. energy: -0.012
local terms energy: -33.265721
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -8.995
flat angles C4'-P-C4' energy: -7.083
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: 6.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 445
Temperature: 2.366667
Total energy: -39.982476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.982476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.982476 (E_RNA)
where:
Base-Base interactions energy: -6.355
where: short stacking energy: -6.355
Base-Backbone interact. energy: -0.394
local terms energy: -33.233366
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -8.718
flat angles C4'-P-C4' energy: -7.621
flat angles P-C4'-P energy: -9.173
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: 3, replica: 10
=====================================
Write number: 445
Temperature: 2.383333
Total energy: -38.002185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.002185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.002185 (E_RNA)
where:
Base-Base interactions energy: -7.428
where: short stacking energy: -7.428
Base-Backbone interact. energy: -0.135
local terms energy: -30.439228
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -9.487
flat angles P-C4'-P energy: 1.833
tors. eta vs tors. theta energy: 6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 445
Temperature: 2.400000
Total energy: -36.957262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.957262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.957262 (E_RNA)
where:
Base-Base interactions energy: -22.079
where: short stacking energy: -21.053
Base-Backbone interact. energy: 5.662
local terms energy: -20.540512
where:
bonds (distance) C4'-P energy: -6.307
bonds (distance) P-C4' energy: -8.066
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: 9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 445
Temperature: 2.416667
Total energy: -43.608587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.608587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.608587 (E_RNA)
where:
Base-Base interactions energy: -2.646
where: short stacking energy: -1.755
Base-Backbone interact. energy: -0.142
local terms energy: -40.821469
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -9.696
flat angles C4'-P-C4' energy: -8.717
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 445
Temperature: 2.433333
Total energy: -40.117500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.117500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.117500 (E_RNA)
where:
Base-Base interactions energy: -13.452
where: short stacking energy: -11.087
Base-Backbone interact. energy: -0.229
local terms energy: -26.436421
where:
bonds (distance) C4'-P energy: -8.928
bonds (distance) P-C4' energy: -7.577
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: 6.375
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: 2
=====================================
Write number: 445
Temperature: 2.450000
Total energy: -44.746317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.746317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.746317 (E_RNA)
where:
Base-Base interactions energy: -11.445
where: short stacking energy: -10.343
Base-Backbone interact. energy: -0.263
local terms energy: -33.037582
where:
bonds (distance) C4'-P energy: -5.443
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -3.256
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: 0.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 445
Temperature: 2.466667
Total energy: -35.585145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.585145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.585145 (E_RNA)
where:
Base-Base interactions energy: -11.376
where: short stacking energy: -11.070
Base-Backbone interact. energy: -0.235
local terms energy: -23.973921
where:
bonds (distance) C4'-P energy: -4.333
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -6.840
flat angles P-C4'-P energy: -6.110
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: 9, replica: 3
=====================================
Write number: 445
Temperature: 2.483333
Total energy: -42.428109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.428109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.428109 (E_RNA)
where:
Base-Base interactions energy: -5.560
where: short stacking energy: -5.139
Base-Backbone interact. energy: 0.737
local terms energy: -37.605668
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -1.758
flat angles P-C4'-P energy: -7.699
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: 10, replica: 7
=====================================
Write number: 445
Temperature: 2.500000
Total energy: -34.959599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.959599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.959599 (E_RNA)
where:
Base-Base interactions energy: -2.897
where: short stacking energy: -2.669
Base-Backbone interact. energy: 1.616
local terms energy: -33.678545
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: 1.008
tors. eta vs tors. theta energy: 1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 446
Temperature: 2.350000
Total energy: -38.324326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.324326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.324326 (E_RNA)
where:
Base-Base interactions energy: -3.476
where: short stacking energy: -2.060
Base-Backbone interact. energy: -0.711
local terms energy: -34.137269
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -6.343
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: 5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 446
Temperature: 2.366667
Total energy: -36.843218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.843218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.843218 (E_RNA)
where:
Base-Base interactions energy: -10.729
where: short stacking energy: -7.193
Base-Backbone interact. energy: 1.476
local terms energy: -27.589906
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -7.615
flat angles C4'-P-C4' energy: -4.477
flat angles P-C4'-P energy: -4.088
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: 3, replica: 9
=====================================
Write number: 446
Temperature: 2.383333
Total energy: -43.698097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.698097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.698097 (E_RNA)
where:
Base-Base interactions energy: -15.037
where: short stacking energy: -8.159
Base-Backbone interact. energy: 0.208
local terms energy: -28.869308
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: 10.124
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: 10
=====================================
Write number: 446
Temperature: 2.400000
Total energy: -37.361232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.361232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.361232 (E_RNA)
where:
Base-Base interactions energy: -5.945
where: short stacking energy: -4.255
Base-Backbone interact. energy: 2.224
local terms energy: -33.639797
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -9.915
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: 7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 446
Temperature: 2.416667
Total energy: -37.521504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.521504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.521504 (E_RNA)
where:
Base-Base interactions energy: -3.065
where: short stacking energy: -1.501
Base-Backbone interact. energy: -0.033
local terms energy: -34.423432
where:
bonds (distance) C4'-P energy: -8.746
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -0.952
tors. eta vs tors. theta energy: 3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 446
Temperature: 2.433333
Total energy: -37.438415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.438415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.438415 (E_RNA)
where:
Base-Base interactions energy: -2.232
where: short stacking energy: -2.232
Base-Backbone interact. energy: -0.208
local terms energy: -34.998311
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -2.573
tors. eta vs tors. theta energy: 10.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 446
Temperature: 2.450000
Total energy: -44.999580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.999580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.999580 (E_RNA)
where:
Base-Base interactions energy: -18.247
where: short stacking energy: -12.232
Base-Backbone interact. energy: -0.291
local terms energy: -26.461810
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -4.321
flat angles C4'-P-C4' energy: -9.348
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: 4.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 446
Temperature: 2.466667
Total energy: -36.102739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.102739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.102739 (E_RNA)
where:
Base-Base interactions energy: -3.213
where: short stacking energy: -3.541
Base-Backbone interact. energy: -0.492
local terms energy: -32.397138
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -9.167
flat angles C4'-P-C4' energy: -8.492
flat angles P-C4'-P energy: -10.419
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: 9, replica: 7
=====================================
Write number: 446
Temperature: 2.483333
Total energy: -35.564365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.564365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.564365 (E_RNA)
where:
Base-Base interactions energy: -6.181
where: short stacking energy: -6.142
Base-Backbone interact. energy: 0.184
local terms energy: -29.566908
where:
bonds (distance) C4'-P energy: -4.572
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -7.386
flat angles P-C4'-P energy: -9.703
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: 10, replica: 3
=====================================
Write number: 446
Temperature: 2.500000
Total energy: -34.226066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.226066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.226066 (E_RNA)
where:
Base-Base interactions energy: -6.150
where: short stacking energy: -5.220
Base-Backbone interact. energy: 2.507
local terms energy: -30.583601
where:
bonds (distance) C4'-P energy: -7.789
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: 13.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 447
Temperature: 2.350000
Total energy: -47.665006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.665006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.665006 (E_RNA)
where:
Base-Base interactions energy: -14.369
where: short stacking energy: -13.534
Base-Backbone interact. energy: -0.258
local terms energy: -33.037428
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -7.839
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: 6.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 447
Temperature: 2.366667
Total energy: -49.136350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.136350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.136350 (E_RNA)
where:
Base-Base interactions energy: -15.016
where: short stacking energy: -14.836
Base-Backbone interact. energy: -0.890
local terms energy: -33.230819
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -5.703
flat angles P-C4'-P energy: -4.476
tors. eta vs tors. theta energy: 4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 447
Temperature: 2.383333
Total energy: -35.820288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.820288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.820288 (E_RNA)
where:
Base-Base interactions energy: -1.751
where: short stacking energy: -1.751
Base-Backbone interact. energy: -0.090
local terms energy: -33.978968
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -10.735
flat angles C4'-P-C4' energy: -7.614
flat angles P-C4'-P energy: -3.816
tors. eta vs tors. theta energy: 6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 447
Temperature: 2.400000
Total energy: -33.529611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.529611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.529611 (E_RNA)
where:
Base-Base interactions energy: -1.523
where: short stacking energy: 0.300
Base-Backbone interact. energy: -1.496
local terms energy: -30.510909
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -8.741
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: 14.535
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: 5, replica: 10
=====================================
Write number: 447
Temperature: 2.416667
Total energy: -38.127792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.127792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.127792 (E_RNA)
where:
Base-Base interactions energy: -9.232
where: short stacking energy: -5.630
Base-Backbone interact. energy: 2.860
local terms energy: -31.755867
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -6.629
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: 8.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 447
Temperature: 2.433333
Total energy: -38.542042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.542042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.542042 (E_RNA)
where:
Base-Base interactions energy: -10.983
where: short stacking energy: -6.957
Base-Backbone interact. energy: -0.125
local terms energy: -27.433809
where:
bonds (distance) C4'-P energy: -8.070
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -7.600
flat angles P-C4'-P energy: -2.472
tors. eta vs tors. theta energy: 5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 447
Temperature: 2.450000
Total energy: -35.374281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.374281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.374281 (E_RNA)
where:
Base-Base interactions energy: -10.241
where: short stacking energy: -8.565
Base-Backbone interact. energy: -0.007
local terms energy: -25.126073
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -9.229
flat angles C4'-P-C4' energy: -1.728
flat angles P-C4'-P energy: -6.599
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: 8, replica: 7
=====================================
Write number: 447
Temperature: 2.466667
Total energy: -33.636548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.636548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.636548 (E_RNA)
where:
Base-Base interactions energy: -10.323
where: short stacking energy: -12.014
Base-Backbone interact. energy: 0.994
local terms energy: -24.307535
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -8.789
flat angles C4'-P-C4' energy: -5.537
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: 8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 447
Temperature: 2.483333
Total energy: -37.894511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.894511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.894511 (E_RNA)
where:
Base-Base interactions energy: 1.600
where: short stacking energy: 0.800
Base-Backbone interact. energy: 0.471
local terms energy: -39.965828
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: 6.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 447
Temperature: 2.500000
Total energy: -40.802572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.802572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.802572 (E_RNA)
where:
Base-Base interactions energy: -8.168
where: short stacking energy: -4.241
Base-Backbone interact. energy: -0.497
local terms energy: -32.137773
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -11.040
flat angles C4'-P-C4' energy: -9.187
flat angles P-C4'-P energy: -4.136
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: 1, replica: 9
=====================================
Write number: 448
Temperature: 2.350000
Total energy: -39.183934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.183934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.183934 (E_RNA)
where:
Base-Base interactions energy: -6.737
where: short stacking energy: -6.737
Base-Backbone interact. energy: -0.688
local terms energy: -31.758742
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -1.794
tors. eta vs tors. theta energy: 7.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 448
Temperature: 2.366667
Total energy: -35.518440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.518440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.518440 (E_RNA)
where:
Base-Base interactions energy: -3.433
where: short stacking energy: -1.991
Base-Backbone interact. energy: -0.141
local terms energy: -31.943803
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -5.112
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: 7.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 448
Temperature: 2.383333
Total energy: -43.817450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.817450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.817450 (E_RNA)
where:
Base-Base interactions energy: -5.734
where: short stacking energy: -5.871
Base-Backbone interact. energy: -0.499
local terms energy: -37.584345
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -6.123
flat angles P-C4'-P energy: -8.943
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: 448
Temperature: 2.400000
Total energy: -36.886885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.886885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.886885 (E_RNA)
where:
Base-Base interactions energy: -9.495
where: short stacking energy: -6.896
Base-Backbone interact. energy: -0.509
local terms energy: -26.882824
where:
bonds (distance) C4'-P energy: -5.000
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -6.616
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: 4.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 448
Temperature: 2.416667
Total energy: -38.066052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.066052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.066052 (E_RNA)
where:
Base-Base interactions energy: -10.898
where: short stacking energy: -10.833
Base-Backbone interact. energy: -0.289
local terms energy: -26.878429
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -7.534
flat angles P-C4'-P energy: -3.040
tors. eta vs tors. theta energy: 8.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 448
Temperature: 2.433333
Total energy: -34.912352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.912352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.912352 (E_RNA)
where:
Base-Base interactions energy: -7.154
where: short stacking energy: -6.267
Base-Backbone interact. energy: -0.427
local terms energy: -27.330985
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -8.699
flat angles P-C4'-P energy: -0.572
tors. eta vs tors. theta energy: 9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 448
Temperature: 2.450000
Total energy: -39.831184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.831184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.831184 (E_RNA)
where:
Base-Base interactions energy: -14.029
where: short stacking energy: -14.029
Base-Backbone interact. energy: 0.212
local terms energy: -26.014746
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -5.099
flat angles P-C4'-P energy: -1.141
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: 8, replica: 1
=====================================
Write number: 448
Temperature: 2.466667
Total energy: -34.548422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.548422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.548422 (E_RNA)
where:
Base-Base interactions energy: -9.497
where: short stacking energy: -8.967
Base-Backbone interact. energy: -0.287
local terms energy: -24.764195
where:
bonds (distance) C4'-P energy: -7.463
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -3.290
flat angles P-C4'-P energy: -3.338
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: 9, replica: 3
=====================================
Write number: 448
Temperature: 2.483333
Total energy: -38.324976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.324976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.324976 (E_RNA)
where:
Base-Base interactions energy: -6.906
where: short stacking energy: -2.643
Base-Backbone interact. energy: 1.305
local terms energy: -32.723508
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -5.939
flat angles P-C4'-P energy: -5.061
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: 10, replica: 2
=====================================
Write number: 448
Temperature: 2.500000
Total energy: -37.899847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.899847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.899847 (E_RNA)
where:
Base-Base interactions energy: -10.678
where: short stacking energy: -5.586
Base-Backbone interact. energy: -0.278
local terms energy: -26.943913
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -8.700
flat angles P-C4'-P energy: -1.352
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: 1, replica: 9
=====================================
Write number: 449
Temperature: 2.350000
Total energy: -36.920753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.920753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.920753 (E_RNA)
where:
Base-Base interactions energy: -7.540
where: short stacking energy: -6.919
Base-Backbone interact. energy: 0.695
local terms energy: -30.076339
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -9.005
flat angles P-C4'-P energy: -4.197
tors. eta vs tors. theta energy: 6.248
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: 5
=====================================
Write number: 449
Temperature: 2.366667
Total energy: -37.230909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.230909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.230909 (E_RNA)
where:
Base-Base interactions energy: -4.159
where: short stacking energy: -4.159
Base-Backbone interact. energy: 0.826
local terms energy: -33.898588
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -7.038
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: 8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 449
Temperature: 2.383333
Total energy: -45.567669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.567669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.567669 (E_RNA)
where:
Base-Base interactions energy: -6.883
where: short stacking energy: -5.593
Base-Backbone interact. energy: 2.390
local terms energy: -41.075133
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: 7.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 449
Temperature: 2.400000
Total energy: -37.036551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.036551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.036551 (E_RNA)
where:
Base-Base interactions energy: -9.666
where: short stacking energy: -7.675
Base-Backbone interact. energy: 0.314
local terms energy: -27.684371
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -9.334
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -6.296
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: 5, replica: 8
=====================================
Write number: 449
Temperature: 2.416667
Total energy: -35.432965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.432965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.432965 (E_RNA)
where:
Base-Base interactions energy: -6.614
where: short stacking energy: -5.539
Base-Backbone interact. energy: -0.157
local terms energy: -28.661528
where:
bonds (distance) C4'-P energy: -8.598
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -6.250
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: 5.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 449
Temperature: 2.433333
Total energy: -35.542728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.542728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.542728 (E_RNA)
where:
Base-Base interactions energy: -8.450
where: short stacking energy: -8.450
Base-Backbone interact. energy: -0.418
local terms energy: -26.675213
where:
bonds (distance) C4'-P energy: -6.369
bonds (distance) P-C4' energy: -9.738
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: 5.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 449
Temperature: 2.450000
Total energy: -37.024830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.024830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.024830 (E_RNA)
where:
Base-Base interactions energy: -9.047
where: short stacking energy: -2.641
Base-Backbone interact. energy: -0.240
local terms energy: -27.736961
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -8.579
flat angles P-C4'-P energy: -4.008
tors. eta vs tors. theta energy: 11.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 449
Temperature: 2.466667
Total energy: -34.280821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.280821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.280821 (E_RNA)
where:
Base-Base interactions energy: -4.928
where: short stacking energy: -4.740
Base-Backbone interact. energy: 0.813
local terms energy: -30.165432
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -8.595
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: 8.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 449
Temperature: 2.483333
Total energy: -33.017510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.017510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.017510 (E_RNA)
where:
Base-Base interactions energy: -5.294
where: short stacking energy: -4.167
Base-Backbone interact. energy: 1.706
local terms energy: -29.429820
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -5.274
flat angles P-C4'-P energy: -8.683
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: 10, replica: 2
=====================================
Write number: 449
Temperature: 2.500000
Total energy: -33.733703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.733703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.733703 (E_RNA)
where:
Base-Base interactions energy: -4.382
where: short stacking energy: -2.189
Base-Backbone interact. energy: 0.629
local terms energy: -29.979826
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -0.020
tors. eta vs tors. theta energy: 9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 450
Temperature: 2.350000
Total energy: -37.822252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.822252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.822252 (E_RNA)
where:
Base-Base interactions energy: -7.533
where: short stacking energy: -7.759
Base-Backbone interact. energy: 0.132
local terms energy: -30.421731
where:
bonds (distance) C4'-P energy: -8.888
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -2.411
tors. eta vs tors. theta energy: 9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 450
Temperature: 2.366667
Total energy: -38.760161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.760161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.760161 (E_RNA)
where:
Base-Base interactions energy: -1.221
where: short stacking energy: -0.577
Base-Backbone interact. energy: 0.880
local terms energy: -38.419428
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: 0.288
tors. eta vs tors. theta energy: 5.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 450
Temperature: 2.383333
Total energy: -37.672652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.672652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.672652 (E_RNA)
where:
Base-Base interactions energy: -2.830
where: short stacking energy: -3.730
Base-Backbone interact. energy: 0.111
local terms energy: -34.953332
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: 8.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 450
Temperature: 2.400000
Total energy: -37.960557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.960557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.960557 (E_RNA)
where:
Base-Base interactions energy: -8.460
where: short stacking energy: -8.460
Base-Backbone interact. energy: -0.252
local terms energy: -29.248812
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -8.975
flat angles C4'-P-C4' energy: -7.696
flat angles P-C4'-P energy: -3.311
tors. eta vs tors. theta energy: 4.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 450
Temperature: 2.416667
Total energy: -44.340173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.340173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.340173 (E_RNA)
where:
Base-Base interactions energy: -11.428
where: short stacking energy: -10.936
Base-Backbone interact. energy: -1.093
local terms energy: -31.818957
where:
bonds (distance) C4'-P energy: -5.912
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -3.976
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: 6, replica: 8
=====================================
Write number: 450
Temperature: 2.433333
Total energy: -34.974105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.974105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.974105 (E_RNA)
where:
Base-Base interactions energy: -9.645
where: short stacking energy: -7.660
Base-Backbone interact. energy: 0.476
local terms energy: -25.804811
where:
bonds (distance) C4'-P energy: -5.437
bonds (distance) P-C4' energy: -10.832
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: 7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 450
Temperature: 2.450000
Total energy: -31.896540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.896540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.896540 (E_RNA)
where:
Base-Base interactions energy: -5.435
where: short stacking energy: -4.093
Base-Backbone interact. energy: 0.907
local terms energy: -27.368968
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -7.562
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: 10.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 2.466667
Total energy: -37.323567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.323567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.323567 (E_RNA)
where:
Base-Base interactions energy: -4.957
where: short stacking energy: -3.531
Base-Backbone interact. energy: -0.224
local terms energy: -32.141863
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -8.309
flat angles P-C4'-P energy: -5.738
tors. eta vs tors. theta energy: 10.703
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: 9, replica: 1
=====================================
Write number: 450
Temperature: 2.483333
Total energy: -34.731161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.731161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.731161 (E_RNA)
where:
Base-Base interactions energy: -5.549
where: short stacking energy: -5.549
Base-Backbone interact. energy: -0.171
local terms energy: -29.010399
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -9.635
flat angles C4'-P-C4' energy: -5.091
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: 9.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 450
Temperature: 2.500000
Total energy: -43.195907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.195907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.195907 (E_RNA)
where:
Base-Base interactions energy: -10.253
where: short stacking energy: -12.223
Base-Backbone interact. energy: -0.009
local terms energy: -32.933843
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: 8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 451
Temperature: 2.350000
Total energy: -38.274997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.274997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.274997 (E_RNA)
where:
Base-Base interactions energy: -3.515
where: short stacking energy: -3.515
Base-Backbone interact. energy: -0.142
local terms energy: -34.618548
where:
bonds (distance) C4'-P energy: -8.904
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: 4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 2.366667
Total energy: -39.133914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.133914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.133914 (E_RNA)
where:
Base-Base interactions energy: -8.375
where: short stacking energy: -7.087
Base-Backbone interact. energy: 6.750
local terms energy: -37.509871
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -1.776
tors. eta vs tors. theta energy: 4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 2.383333
Total energy: -39.926205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.926205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.926205 (E_RNA)
where:
Base-Base interactions energy: -10.085
where: short stacking energy: -6.145
Base-Backbone interact. energy: 1.042
local terms energy: -30.882369
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -8.774
flat angles P-C4'-P energy: 3.201
tors. eta vs tors. theta energy: 8.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 451
Temperature: 2.400000
Total energy: -41.558267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.558267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.558267 (E_RNA)
where:
Base-Base interactions energy: -13.310
where: short stacking energy: -11.002
Base-Backbone interact. energy: -0.205
local terms energy: -28.043415
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -9.542
flat angles P-C4'-P energy: -2.454
tors. eta vs tors. theta energy: 9.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 451
Temperature: 2.416667
Total energy: -34.995000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.995000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.995000 (E_RNA)
where:
Base-Base interactions energy: -9.679
where: short stacking energy: -9.618
Base-Backbone interact. energy: -0.088
local terms energy: -25.227879
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -6.455
flat angles C4'-P-C4' energy: -1.362
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: 6.290
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: 3
=====================================
Write number: 451
Temperature: 2.433333
Total energy: -37.891216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.891216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.891216 (E_RNA)
where:
Base-Base interactions energy: -7.937
where: short stacking energy: -7.937
Base-Backbone interact. energy: -0.182
local terms energy: -29.772622
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -9.148
flat angles P-C4'-P energy: 1.026
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: 8
=====================================
Write number: 451
Temperature: 2.450000
Total energy: -33.871301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.871301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.871301 (E_RNA)
where:
Base-Base interactions energy: -6.657
where: short stacking energy: -3.552
Base-Backbone interact. energy: -0.346
local terms energy: -26.868437
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -5.042
flat angles P-C4'-P energy: -1.986
tors. eta vs tors. theta energy: 3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 451
Temperature: 2.466667
Total energy: -31.231391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.231391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.231391 (E_RNA)
where:
Base-Base interactions energy: -1.936
where: short stacking energy: -1.085
Base-Backbone interact. energy: -0.939
local terms energy: -28.355900
where:
bonds (distance) C4'-P energy: -8.227
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -8.689
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: 8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 451
Temperature: 2.483333
Total energy: -39.108846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.108846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.108846 (E_RNA)
where:
Base-Base interactions energy: -2.316
where: short stacking energy: -0.973
Base-Backbone interact. energy: -0.904
local terms energy: -35.888726
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: 12.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 451
Temperature: 2.500000
Total energy: -37.869488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.869488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.869488 (E_RNA)
where:
Base-Base interactions energy: -12.594
where: short stacking energy: -11.086
Base-Backbone interact. energy: -0.372
local terms energy: -24.903498
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -2.316
flat angles P-C4'-P energy: -0.178
tors. eta vs tors. theta energy: 0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 452
Temperature: 2.350000
Total energy: -40.522771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.522771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.522771 (E_RNA)
where:
Base-Base interactions energy: -10.162
where: short stacking energy: -9.789
Base-Backbone interact. energy: 1.137
local terms energy: -31.497066
where:
bonds (distance) C4'-P energy: -8.505
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -9.507
flat angles P-C4'-P energy: -1.037
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: 2, replica: 5
=====================================
Write number: 452
Temperature: 2.366667
Total energy: -35.297656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.297656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.297656 (E_RNA)
where:
Base-Base interactions energy: -1.931
where: short stacking energy: -1.191
Base-Backbone interact. energy: -0.362
local terms energy: -33.004431
where:
bonds (distance) C4'-P energy: -6.033
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: 10.697
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: 7
=====================================
Write number: 452
Temperature: 2.383333
Total energy: -39.411869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.411869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.411869 (E_RNA)
where:
Base-Base interactions energy: -10.654
where: short stacking energy: -9.064
Base-Backbone interact. energy: 3.123
local terms energy: -31.880902
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -9.141
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: 1.061
tors. eta vs tors. theta energy: 2.150
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: 9
=====================================
Write number: 452
Temperature: 2.400000
Total energy: -37.640411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.640411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.640411 (E_RNA)
where:
Base-Base interactions energy: -3.953
where: short stacking energy: -4.389
Base-Backbone interact. energy: -0.052
local terms energy: -33.635966
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -8.298
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: 8.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 452
Temperature: 2.416667
Total energy: -36.957508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.957508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.957508 (E_RNA)
where:
Base-Base interactions energy: -6.404
where: short stacking energy: -5.976
Base-Backbone interact. energy: -0.468
local terms energy: -30.086095
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -9.140
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: 9.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 452
Temperature: 2.433333
Total energy: -33.379007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.379007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.379007 (E_RNA)
where:
Base-Base interactions energy: -9.960
where: short stacking energy: -7.478
Base-Backbone interact. energy: -0.155
local terms energy: -23.264348
where:
bonds (distance) C4'-P energy: -6.957
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -7.594
flat angles P-C4'-P energy: 2.289
tors. eta vs tors. theta energy: 2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 452
Temperature: 2.450000
Total energy: -38.137488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.137488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.137488 (E_RNA)
where:
Base-Base interactions energy: -8.877
where: short stacking energy: -7.040
Base-Backbone interact. energy: -0.488
local terms energy: -28.773045
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: 0.599
tors. eta vs tors. theta energy: 9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 452
Temperature: 2.466667
Total energy: -37.804967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.804967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.804967 (E_RNA)
where:
Base-Base interactions energy: -3.593
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.334
local terms energy: -33.877747
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -5.141
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: 9.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 452
Temperature: 2.483333
Total energy: -40.939744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.939744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.939744 (E_RNA)
where:
Base-Base interactions energy: -5.844
where: short stacking energy: -5.694
Base-Backbone interact. energy: 0.842
local terms energy: -35.938364
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -2.080
tors. eta vs tors. theta energy: 7.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 452
Temperature: 2.500000
Total energy: -38.237122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.237122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.237122 (E_RNA)
where:
Base-Base interactions energy: -8.034
where: short stacking energy: -2.552
Base-Backbone interact. energy: -0.374
local terms energy: -29.829162
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -0.427
flat angles P-C4'-P energy: -1.551
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: 1, replica: 4
=====================================
Write number: 453
Temperature: 2.350000
Total energy: -37.432882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.432882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.432882 (E_RNA)
where:
Base-Base interactions energy: -7.045
where: short stacking energy: -5.354
Base-Backbone interact. energy: -0.175
local terms energy: -30.213276
where:
bonds (distance) C4'-P energy: -7.657
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -1.121
tors. eta vs tors. theta energy: 6.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 453
Temperature: 2.366667
Total energy: -36.392811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.392811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.392811 (E_RNA)
where:
Base-Base interactions energy: -1.693
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.412
local terms energy: -34.288098
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -11.632
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -1.037
tors. eta vs tors. theta energy: 8.006
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: 5
=====================================
Write number: 453
Temperature: 2.383333
Total energy: -39.288737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.288737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.288737 (E_RNA)
where:
Base-Base interactions energy: -7.238
where: short stacking energy: -6.863
Base-Backbone interact. energy: -0.269
local terms energy: -31.781661
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -0.436
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: 7.867
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: 453
Temperature: 2.400000
Total energy: -38.269046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.269046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.269046 (E_RNA)
where:
Base-Base interactions energy: -6.187
where: short stacking energy: -4.162
Base-Backbone interact. energy: 0.894
local terms energy: -32.976439
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -5.248
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -7.322
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: 5, replica: 9
=====================================
Write number: 453
Temperature: 2.416667
Total energy: -38.465877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.465877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.465877 (E_RNA)
where:
Base-Base interactions energy: -10.290
where: short stacking energy: -8.911
Base-Backbone interact. energy: 0.275
local terms energy: -28.450818
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -9.327
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: 0.568
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: 6, replica: 1
=====================================
Write number: 453
Temperature: 2.433333
Total energy: -38.731301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.731301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.731301 (E_RNA)
where:
Base-Base interactions energy: -9.766
where: short stacking energy: -4.966
Base-Backbone interact. energy: 0.916
local terms energy: -29.880687
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -9.368
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: 13.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 453
Temperature: 2.450000
Total energy: -40.998329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.998329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.998329 (E_RNA)
where:
Base-Base interactions energy: -2.927
where: short stacking energy: -2.927
Base-Backbone interact. energy: -0.095
local terms energy: -37.975882
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -4.663
flat angles P-C4'-P energy: -8.813
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: 8, replica: 2
=====================================
Write number: 453
Temperature: 2.466667
Total energy: -34.896191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.896191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.896191 (E_RNA)
where:
Base-Base interactions energy: -10.865
where: short stacking energy: -8.421
Base-Backbone interact. energy: -0.283
local terms energy: -23.748306
where:
bonds (distance) C4'-P energy: -8.386
bonds (distance) P-C4' energy: -7.947
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -0.685
tors. eta vs tors. theta energy: 4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 2.483333
Total energy: -34.007366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.007366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.007366 (E_RNA)
where:
Base-Base interactions energy: -7.422
where: short stacking energy: -6.906
Base-Backbone interact. energy: -0.270
local terms energy: -26.315525
where:
bonds (distance) C4'-P energy: -4.345
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -0.688
tors. eta vs tors. theta energy: 2.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 2.500000
Total energy: -34.146981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.146981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.146981 (E_RNA)
where:
Base-Base interactions energy: -4.316
where: short stacking energy: -4.316
Base-Backbone interact. energy: -0.239
local terms energy: -29.591983
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -9.018
flat angles C4'-P-C4' energy: -9.082
flat angles P-C4'-P energy: -4.355
tors. eta vs tors. theta energy: 4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 454
Temperature: 2.350000
Total energy: -51.025800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.025800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.025800 (E_RNA)
where:
Base-Base interactions energy: -11.829
where: short stacking energy: -11.049
Base-Backbone interact. energy: -0.164
local terms energy: -39.033655
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -3.058
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: 2, replica: 4
=====================================
Write number: 454
Temperature: 2.366667
Total energy: -42.409323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.409323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.409323 (E_RNA)
where:
Base-Base interactions energy: -14.005
where: short stacking energy: -7.721
Base-Backbone interact. energy: 7.421
local terms energy: -35.825209
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -8.373
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: 8.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 454
Temperature: 2.383333
Total energy: -51.263911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.263911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.263911 (E_RNA)
where:
Base-Base interactions energy: -9.376
where: short stacking energy: -7.616
Base-Backbone interact. energy: 2.608
local terms energy: -44.496058
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -10.328
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: 4, replica: 5
=====================================
Write number: 454
Temperature: 2.400000
Total energy: -38.178716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.178716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.178716 (E_RNA)
where:
Base-Base interactions energy: -12.447
where: short stacking energy: -11.091
Base-Backbone interact. energy: -0.105
local terms energy: -25.627122
where:
bonds (distance) C4'-P energy: -0.651
bonds (distance) P-C4' energy: -8.077
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -9.357
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: 5, replica: 1
=====================================
Write number: 454
Temperature: 2.416667
Total energy: -43.931629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.931629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.931629 (E_RNA)
where:
Base-Base interactions energy: -7.754
where: short stacking energy: -7.225
Base-Backbone interact. energy: 0.288
local terms energy: -36.464832
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: 7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 454
Temperature: 2.433333
Total energy: -33.095321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.095321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.095321 (E_RNA)
where:
Base-Base interactions energy: -5.133
where: short stacking energy: -3.583
Base-Backbone interact. energy: -1.562
local terms energy: -26.400165
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -9.127
flat angles C4'-P-C4' energy: -8.817
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: 6.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 454
Temperature: 2.450000
Total energy: -37.912745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.912745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.912745 (E_RNA)
where:
Base-Base interactions energy: -2.029
where: short stacking energy: -1.810
Base-Backbone interact. energy: 2.124
local terms energy: -38.007788
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: 11.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 2.466667
Total energy: -41.147006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.147006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.147006 (E_RNA)
where:
Base-Base interactions energy: -5.593
where: short stacking energy: -6.988
Base-Backbone interact. energy: -0.762
local terms energy: -34.792223
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -8.967
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: 7.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 454
Temperature: 2.483333
Total energy: -35.822507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.822507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.822507 (E_RNA)
where:
Base-Base interactions energy: -7.868
where: short stacking energy: -7.255
Base-Backbone interact. energy: -0.472
local terms energy: -27.482689
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -6.009
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -0.349
tors. eta vs tors. theta energy: 6.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 454
Temperature: 2.500000
Total energy: -34.796593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.796593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.796593 (E_RNA)
where:
Base-Base interactions energy: -8.776
where: short stacking energy: -8.776
Base-Backbone interact. energy: 0.490
local terms energy: -26.510005
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -3.019
flat angles P-C4'-P energy: -2.775
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: 1, replica: 7
=====================================
Write number: 455
Temperature: 2.350000
Total energy: -36.278603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.278603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.278603 (E_RNA)
where:
Base-Base interactions energy: -2.325
where: short stacking energy: -4.111
Base-Backbone interact. energy: -0.186
local terms energy: -33.767096
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -7.204
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: 10.319
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: 3
=====================================
Write number: 455
Temperature: 2.366667
Total energy: -38.842117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.842117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.842117 (E_RNA)
where:
Base-Base interactions energy: -3.469
where: short stacking energy: -3.469
Base-Backbone interact. energy: -0.258
local terms energy: -35.115169
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -6.662
flat angles C4'-P-C4' energy: -4.899
flat angles P-C4'-P energy: -6.009
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: 3, replica: 4
=====================================
Write number: 455
Temperature: 2.383333
Total energy: -46.989728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.989728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.989728 (E_RNA)
where:
Base-Base interactions energy: -13.143
where: short stacking energy: -7.913
Base-Backbone interact. energy: -0.329
local terms energy: -33.517841
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -8.266
flat angles C4'-P-C4' energy: -6.298
flat angles P-C4'-P energy: -8.197
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: 1
=====================================
Write number: 455
Temperature: 2.400000
Total energy: -36.762466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.762466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.762466 (E_RNA)
where:
Base-Base interactions energy: -6.924
where: short stacking energy: -5.738
Base-Backbone interact. energy: 0.275
local terms energy: -30.113444
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -10.462
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -3.508
tors. eta vs tors. theta energy: 6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 455
Temperature: 2.416667
Total energy: -33.675009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.675009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.675009 (E_RNA)
where:
Base-Base interactions energy: -6.555
where: short stacking energy: -4.514
Base-Backbone interact. energy: 3.939
local terms energy: -31.058936
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -9.713
flat angles C4'-P-C4' energy: -6.151
flat angles P-C4'-P energy: -5.460
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: 6, replica: 2
=====================================
Write number: 455
Temperature: 2.433333
Total energy: -34.467811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.467811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.467811 (E_RNA)
where:
Base-Base interactions energy: -5.860
where: short stacking energy: -6.797
Base-Backbone interact. energy: -0.863
local terms energy: -27.744955
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -6.822
flat angles P-C4'-P energy: -2.298
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: 9
=====================================
Write number: 455
Temperature: 2.450000
Total energy: -34.797344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.797344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.797344 (E_RNA)
where:
Base-Base interactions energy: -2.905
where: short stacking energy: -2.905
Base-Backbone interact. energy: -0.260
local terms energy: -31.632460
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: 0.081
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: 3.002
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: 8, replica: 10
=====================================
Write number: 455
Temperature: 2.466667
Total energy: -33.699154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.699154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.699154 (E_RNA)
where:
Base-Base interactions energy: -4.030
where: short stacking energy: -4.030
Base-Backbone interact. energy: -0.323
local terms energy: -29.345819
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -4.273
flat angles P-C4'-P energy: 0.422
tors. eta vs tors. theta energy: 3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 455
Temperature: 2.483333
Total energy: -37.774917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.774917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.774917 (E_RNA)
where:
Base-Base interactions energy: -3.790
where: short stacking energy: -2.035
Base-Backbone interact. energy: -0.844
local terms energy: -33.141087
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -8.747
flat angles P-C4'-P energy: -5.343
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: 10, replica: 8
=====================================
Write number: 455
Temperature: 2.500000
Total energy: -40.416490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.416490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.416490 (E_RNA)
where:
Base-Base interactions energy: -7.062
where: short stacking energy: -7.048
Base-Backbone interact. energy: -0.382
local terms energy: -32.972162
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -8.431
flat angles P-C4'-P energy: -4.507
tors. eta vs tors. theta energy: 5.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 456
Temperature: 2.350000
Total energy: -37.477509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.477509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.477509 (E_RNA)
where:
Base-Base interactions energy: -1.311
where: short stacking energy: -0.529
Base-Backbone interact. energy: -0.508
local terms energy: -35.658774
where:
bonds (distance) C4'-P energy: -6.710
bonds (distance) P-C4' energy: -10.578
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: 6.300
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: 7
=====================================
Write number: 456
Temperature: 2.366667
Total energy: -40.311425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.311425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.311425 (E_RNA)
where:
Base-Base interactions energy: -7.286
where: short stacking energy: -7.241
Base-Backbone interact. energy: -0.619
local terms energy: -32.406390
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: 0.641
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: 7.267
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: 3, replica: 1
=====================================
Write number: 456
Temperature: 2.383333
Total energy: -41.927426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.927426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.927426 (E_RNA)
where:
Base-Base interactions energy: -8.108
where: short stacking energy: -7.822
Base-Backbone interact. energy: -0.374
local terms energy: -33.445226
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -4.450
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: 3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 456
Temperature: 2.400000
Total energy: -39.165102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.165102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.165102 (E_RNA)
where:
Base-Base interactions energy: -12.089
where: short stacking energy: -10.894
Base-Backbone interact. energy: -1.328
local terms energy: -25.748317
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -8.460
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -5.027
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: 5, replica: 2
=====================================
Write number: 456
Temperature: 2.416667
Total energy: -37.108055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.108055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.108055 (E_RNA)
where:
Base-Base interactions energy: -10.428
where: short stacking energy: -8.716
Base-Backbone interact. energy: -0.164
local terms energy: -26.516004
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -8.708
flat angles P-C4'-P energy: -2.626
tors. eta vs tors. theta energy: 8.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 456
Temperature: 2.433333
Total energy: -43.861119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.861119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.861119 (E_RNA)
where:
Base-Base interactions energy: -9.975
where: short stacking energy: -7.300
Base-Backbone interact. energy: 0.269
local terms energy: -34.155331
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: 10.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 456
Temperature: 2.450000
Total energy: -41.147671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.147671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.147671 (E_RNA)
where:
Base-Base interactions energy: -7.882
where: short stacking energy: -8.029
Base-Backbone interact. energy: -0.670
local terms energy: -32.595093
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: 0.163
tors. eta vs tors. theta energy: 4.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 456
Temperature: 2.466667
Total energy: -35.036195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.036195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.036195 (E_RNA)
where:
Base-Base interactions energy: -8.488
where: short stacking energy: -6.965
Base-Backbone interact. energy: -0.240
local terms energy: -26.308333
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -7.858
flat angles C4'-P-C4' energy: -8.020
flat angles P-C4'-P energy: -5.051
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: 9, replica: 8
=====================================
Write number: 456
Temperature: 2.483333
Total energy: -41.687716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.687716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.687716 (E_RNA)
where:
Base-Base interactions energy: -5.511
where: short stacking energy: -5.045
Base-Backbone interact. energy: -0.085
local terms energy: -36.091731
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -6.834
flat angles P-C4'-P energy: 0.734
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: 10, replica: 6
=====================================
Write number: 456
Temperature: 2.500000
Total energy: -29.752082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.752082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.752082 (E_RNA)
where:
Base-Base interactions energy: -9.910
where: short stacking energy: -8.380
Base-Backbone interact. energy: 0.747
local terms energy: -20.589135
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -1.742
flat angles P-C4'-P energy: -1.129
tors. eta vs tors. theta energy: 6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 457
Temperature: 2.350000
Total energy: -39.863381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.863381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.863381 (E_RNA)
where:
Base-Base interactions energy: 1.326
where: short stacking energy: 1.796
Base-Backbone interact. energy: -0.536
local terms energy: -40.653461
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -4.645
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: 7.204
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: 457
Temperature: 2.366667
Total energy: -46.259725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.259725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.259725 (E_RNA)
where:
Base-Base interactions energy: -12.510
where: short stacking energy: -10.845
Base-Backbone interact. energy: 0.280
local terms energy: -34.030344
where:
bonds (distance) C4'-P energy: -7.245
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -8.214
flat angles P-C4'-P energy: -7.582
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: 3, replica: 7
=====================================
Write number: 457
Temperature: 2.383333
Total energy: -39.188024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.188024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.188024 (E_RNA)
where:
Base-Base interactions energy: -10.032
where: short stacking energy: -7.908
Base-Backbone interact. energy: -0.285
local terms energy: -28.871875
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -3.265
flat angles P-C4'-P energy: -2.520
tors. eta vs tors. theta energy: 4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 457
Temperature: 2.400000
Total energy: -38.009770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.009770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.009770 (E_RNA)
where:
Base-Base interactions energy: -8.978
where: short stacking energy: -4.688
Base-Backbone interact. energy: -0.005
local terms energy: -29.026547
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -4.549
flat angles P-C4'-P energy: -3.194
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: 4
=====================================
Write number: 457
Temperature: 2.416667
Total energy: -36.243706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.243706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.243706 (E_RNA)
where:
Base-Base interactions energy: -11.456
where: short stacking energy: -8.738
Base-Backbone interact. energy: -0.383
local terms energy: -24.404362
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -0.407
flat angles P-C4'-P energy: -4.909
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: 10
=====================================
Write number: 457
Temperature: 2.433333
Total energy: -42.971506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.971506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.971506 (E_RNA)
where:
Base-Base interactions energy: -10.329
where: short stacking energy: -9.024
Base-Backbone interact. energy: 1.945
local terms energy: -34.587052
where:
bonds (distance) C4'-P energy: -8.634
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -6.134
flat angles P-C4'-P energy: -10.414
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: 7, replica: 5
=====================================
Write number: 457
Temperature: 2.450000
Total energy: -36.274028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.274028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.274028 (E_RNA)
where:
Base-Base interactions energy: -6.025
where: short stacking energy: -4.507
Base-Backbone interact. energy: -0.218
local terms energy: -30.030916
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -3.757
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: 7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 457
Temperature: 2.466667
Total energy: -38.674909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.674909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.674909 (E_RNA)
where:
Base-Base interactions energy: -10.629
where: short stacking energy: -7.208
Base-Backbone interact. energy: -0.579
local terms energy: -27.466806
where:
bonds (distance) C4'-P energy: -8.161
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -2.436
flat angles P-C4'-P energy: -7.184
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: 9, replica: 9
=====================================
Write number: 457
Temperature: 2.483333
Total energy: -33.431179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.431179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.431179 (E_RNA)
where:
Base-Base interactions energy: -3.466
where: short stacking energy: 1.115
Base-Backbone interact. energy: -0.369
local terms energy: -29.596599
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -7.394
flat angles P-C4'-P energy: 1.451
tors. eta vs tors. theta energy: 5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 457
Temperature: 2.500000
Total energy: -35.792542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.792542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.792542 (E_RNA)
where:
Base-Base interactions energy: -9.974
where: short stacking energy: -9.924
Base-Backbone interact. energy: -0.732
local terms energy: -25.085889
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -9.753
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: 14.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 458
Temperature: 2.350000
Total energy: -39.401269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.401269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.401269 (E_RNA)
where:
Base-Base interactions energy: -10.151
where: short stacking energy: -9.194
Base-Backbone interact. energy: -0.275
local terms energy: -28.974557
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -0.720
flat angles P-C4'-P energy: -5.231
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: 2, replica: 3
=====================================
Write number: 458
Temperature: 2.366667
Total energy: -38.157381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.157381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.157381 (E_RNA)
where:
Base-Base interactions energy: -11.530
where: short stacking energy: -4.265
Base-Backbone interact. energy: 5.344
local terms energy: -31.971251
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -4.655
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: 9.895
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: 2
=====================================
Write number: 458
Temperature: 2.383333
Total energy: -36.516653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.516653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.516653 (E_RNA)
where:
Base-Base interactions energy: -2.512
where: short stacking energy: -2.448
Base-Backbone interact. energy: -0.493
local terms energy: -33.510954
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: 4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 458
Temperature: 2.400000
Total energy: -37.838617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.838617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.838617 (E_RNA)
where:
Base-Base interactions energy: -4.428
where: short stacking energy: -4.347
Base-Backbone interact. energy: -0.521
local terms energy: -32.890114
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -5.782
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: 5, replica: 10
=====================================
Write number: 458
Temperature: 2.416667
Total energy: -49.426273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.426273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.426273 (E_RNA)
where:
Base-Base interactions energy: -12.052
where: short stacking energy: -12.052
Base-Backbone interact. energy: -0.056
local terms energy: -37.317977
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -4.162
flat angles P-C4'-P energy: -2.300
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: 6, replica: 4
=====================================
Write number: 458
Temperature: 2.433333
Total energy: -35.802274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.802274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.802274 (E_RNA)
where:
Base-Base interactions energy: -8.451
where: short stacking energy: -4.919
Base-Backbone interact. energy: 2.218
local terms energy: -29.568883
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -6.936
flat angles C4'-P-C4' energy: -4.755
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: 1.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 458
Temperature: 2.450000
Total energy: -37.166174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.166174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.166174 (E_RNA)
where:
Base-Base interactions energy: -11.355
where: short stacking energy: -11.355
Base-Backbone interact. energy: -0.083
local terms energy: -25.728143
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: 6.891
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: 8, replica: 5
=====================================
Write number: 458
Temperature: 2.466667
Total energy: -35.965624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.965624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.965624 (E_RNA)
where:
Base-Base interactions energy: -5.091
where: short stacking energy: -2.725
Base-Backbone interact. energy: -0.281
local terms energy: -30.594186
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -7.531
flat angles P-C4'-P energy: -1.685
tors. eta vs tors. theta energy: 5.920
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: 6
=====================================
Write number: 458
Temperature: 2.483333
Total energy: -35.748902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.748902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.748902 (E_RNA)
where:
Base-Base interactions energy: -6.204
where: short stacking energy: -5.740
Base-Backbone interact. energy: -0.353
local terms energy: -29.192012
where:
bonds (distance) C4'-P energy: -7.372
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -5.884
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: 2.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 2.500000
Total energy: -40.823816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.823816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.823816 (E_RNA)
where:
Base-Base interactions energy: -10.744
where: short stacking energy: -10.149
Base-Backbone interact. energy: -0.207
local terms energy: -29.872969
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -4.491
flat angles P-C4'-P energy: -3.811
tors. eta vs tors. theta energy: 6.268
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: 1
=====================================
Write number: 459
Temperature: 2.350000
Total energy: -39.939223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.939223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.939223 (E_RNA)
where:
Base-Base interactions energy: -12.385
where: short stacking energy: -12.064
Base-Backbone interact. energy: -0.987
local terms energy: -26.566845
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -5.281
flat angles C4'-P-C4' energy: -7.864
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: 7.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 2.366667
Total energy: -39.323162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.323162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.323162 (E_RNA)
where:
Base-Base interactions energy: -3.000
where: short stacking energy: -1.804
Base-Backbone interact. energy: -0.153
local terms energy: -36.169973
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: 6.977
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: 3
=====================================
Write number: 459
Temperature: 2.383333
Total energy: -38.836787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.836787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.836787 (E_RNA)
where:
Base-Base interactions energy: -7.321
where: short stacking energy: -7.025
Base-Backbone interact. energy: -0.376
local terms energy: -31.139110
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -9.161
flat angles C4'-P-C4' energy: -7.433
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: 7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 459
Temperature: 2.400000
Total energy: -38.566177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.566177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.566177 (E_RNA)
where:
Base-Base interactions energy: -3.111
where: short stacking energy: -3.111
Base-Backbone interact. energy: -0.182
local terms energy: -35.273138
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: 2.692
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: 5, replica: 7
=====================================
Write number: 459
Temperature: 2.416667
Total energy: -33.329747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.329747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.329747 (E_RNA)
where:
Base-Base interactions energy: -9.452
where: short stacking energy: -9.167
Base-Backbone interact. energy: 3.261
local terms energy: -27.138329
where:
bonds (distance) C4'-P energy: -9.166
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -1.358
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: 6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 459
Temperature: 2.433333
Total energy: -36.041280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.041280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.041280 (E_RNA)
where:
Base-Base interactions energy: -13.914
where: short stacking energy: -13.649
Base-Backbone interact. energy: -0.746
local terms energy: -21.381355
where:
bonds (distance) C4'-P energy: -5.338
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -2.060
tors. eta vs tors. theta energy: 9.162
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: 4
=====================================
Write number: 459
Temperature: 2.450000
Total energy: -40.035449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.035449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.035449 (E_RNA)
where:
Base-Base interactions energy: -3.934
where: short stacking energy: -4.334
Base-Backbone interact. energy: 0.250
local terms energy: -36.350566
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -9.765
flat angles P-C4'-P energy: -0.619
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: 8, replica: 6
=====================================
Write number: 459
Temperature: 2.466667
Total energy: -42.436696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.436696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.436696 (E_RNA)
where:
Base-Base interactions energy: -10.544
where: short stacking energy: -10.119
Base-Backbone interact. energy: -0.309
local terms energy: -31.583988
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: 1.831
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: 9, replica: 5
=====================================
Write number: 459
Temperature: 2.483333
Total energy: -44.481990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.481990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.481990 (E_RNA)
where:
Base-Base interactions energy: -9.433
where: short stacking energy: -8.592
Base-Backbone interact. energy: -0.928
local terms energy: -34.121223
where:
bonds (distance) C4'-P energy: -8.825
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -9.268
flat angles P-C4'-P energy: -3.117
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: 10, replica: 9
=====================================
Write number: 459
Temperature: 2.500000
Total energy: -38.025885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.025885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.025885 (E_RNA)
where:
Base-Base interactions energy: -5.436
where: short stacking energy: -5.436
Base-Backbone interact. energy: 1.677
local terms energy: -34.266650
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: 1.616
tors. eta vs tors. theta energy: 5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 2.350000
Total energy: -39.255966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.255966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.255966 (E_RNA)
where:
Base-Base interactions energy: -13.169
where: short stacking energy: -11.540
Base-Backbone interact. energy: -0.279
local terms energy: -25.807255
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -2.989
flat angles C4'-P-C4' energy: -6.597
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: 7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 2.366667
Total energy: -37.976801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.976801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.976801 (E_RNA)
where:
Base-Base interactions energy: -6.625
where: short stacking energy: -6.781
Base-Backbone interact. energy: -0.257
local terms energy: -31.095081
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -2.509
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: 7.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 460
Temperature: 2.383333
Total energy: -34.169883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.169883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.169883 (E_RNA)
where:
Base-Base interactions energy: -8.834
where: short stacking energy: -6.297
Base-Backbone interact. energy: 0.094
local terms energy: -25.430490
where:
bonds (distance) C4'-P energy: -6.492
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -9.408
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: 8.901
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: 3
=====================================
Write number: 460
Temperature: 2.400000
Total energy: -37.906125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.906125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.906125 (E_RNA)
where:
Base-Base interactions energy: -15.253
where: short stacking energy: -13.837
Base-Backbone interact. energy: 0.243
local terms energy: -22.895959
where:
bonds (distance) C4'-P energy: -5.137
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -7.206
flat angles P-C4'-P energy: -3.213
tors. eta vs tors. theta energy: 3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 460
Temperature: 2.416667
Total energy: -34.204424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.204424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.204424 (E_RNA)
where:
Base-Base interactions energy: -9.133
where: short stacking energy: -8.168
Base-Backbone interact. energy: -0.248
local terms energy: -24.824038
where:
bonds (distance) C4'-P energy: -6.277
bonds (distance) P-C4' energy: -6.912
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: 9.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 460
Temperature: 2.433333
Total energy: -37.053555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.053555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.053555 (E_RNA)
where:
Base-Base interactions energy: -10.057
where: short stacking energy: -9.430
Base-Backbone interact. energy: 1.081
local terms energy: -28.077253
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -4.438
flat angles P-C4'-P energy: -3.833
tors. eta vs tors. theta energy: 11.038
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: 6
=====================================
Write number: 460
Temperature: 2.450000
Total energy: -35.259590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.259590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.259590 (E_RNA)
where:
Base-Base interactions energy: -3.941
where: short stacking energy: -3.941
Base-Backbone interact. energy: -0.322
local terms energy: -30.996210
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -6.734
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: 5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 2.466667
Total energy: -35.279203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.279203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.279203 (E_RNA)
where:
Base-Base interactions energy: -7.602
where: short stacking energy: -6.434
Base-Backbone interact. energy: -0.185
local terms energy: -27.492002
where:
bonds (distance) C4'-P energy: -6.942
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -2.311
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: 9
=====================================
Write number: 460
Temperature: 2.483333
Total energy: -33.554616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.554616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.554616 (E_RNA)
where:
Base-Base interactions energy: -4.403
where: short stacking energy: -2.062
Base-Backbone interact. energy: 2.876
local terms energy: -32.027931
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -8.964
flat angles C4'-P-C4' energy: -8.236
flat angles P-C4'-P energy: -5.168
tors. eta vs tors. theta energy: 4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 460
Temperature: 2.500000
Total energy: -41.729475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.729475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.729475 (E_RNA)
where:
Base-Base interactions energy: -10.387
where: short stacking energy: -11.813
Base-Backbone interact. energy: -0.177
local terms energy: -31.165264
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -6.773
flat angles P-C4'-P energy: -4.568
tors. eta vs tors. theta energy: 5.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 2.350000
Total energy: -44.692810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.692810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.692810 (E_RNA)
where:
Base-Base interactions energy: -6.613
where: short stacking energy: -5.866
Base-Backbone interact. energy: 0.950
local terms energy: -39.029280
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -5.464
flat angles P-C4'-P energy: -9.477
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: 2, replica: 10
=====================================
Write number: 461
Temperature: 2.366667
Total energy: -38.811386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.811386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.811386 (E_RNA)
where:
Base-Base interactions energy: -8.543
where: short stacking energy: -7.586
Base-Backbone interact. energy: -0.041
local terms energy: -30.228083
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -3.801
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: 6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 461
Temperature: 2.383333
Total energy: -40.742137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.742137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.742137 (E_RNA)
where:
Base-Base interactions energy: -16.931
where: short stacking energy: -17.357
Base-Backbone interact. energy: -0.282
local terms energy: -23.529092
where:
bonds (distance) C4'-P energy: -5.130
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -1.858
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: 6.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 461
Temperature: 2.400000
Total energy: -43.409920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.409920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.409920 (E_RNA)
where:
Base-Base interactions energy: -7.461
where: short stacking energy: -7.461
Base-Backbone interact. energy: 1.193
local terms energy: -37.141832
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -5.091
tors. eta vs tors. theta energy: 6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 461
Temperature: 2.416667
Total energy: -33.429442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.429442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.429442 (E_RNA)
where:
Base-Base interactions energy: -9.446
where: short stacking energy: -6.995
Base-Backbone interact. energy: -0.878
local terms energy: -23.104829
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -5.083
flat angles C4'-P-C4' energy: -3.858
flat angles P-C4'-P energy: -6.379
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: 6, replica: 6
=====================================
Write number: 461
Temperature: 2.433333
Total energy: -38.375986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.375986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.375986 (E_RNA)
where:
Base-Base interactions energy: -8.530
where: short stacking energy: -8.530
Base-Backbone interact. energy: -0.139
local terms energy: -29.707450
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -6.778
flat angles P-C4'-P energy: -3.617
tors. eta vs tors. theta energy: 7.976
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: 7
=====================================
Write number: 461
Temperature: 2.450000
Total energy: -43.510602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.510602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.510602 (E_RNA)
where:
Base-Base interactions energy: -8.148
where: short stacking energy: -3.315
Base-Backbone interact. energy: 0.174
local terms energy: -35.536763
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -2.800
tors. eta vs tors. theta energy: 9.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 461
Temperature: 2.466667
Total energy: -41.821822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.821822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.821822 (E_RNA)
where:
Base-Base interactions energy: -3.385
where: short stacking energy: -3.314
Base-Backbone interact. energy: -0.104
local terms energy: -38.333254
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -4.746
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: 4.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 461
Temperature: 2.483333
Total energy: -37.134021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.134021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.134021 (E_RNA)
where:
Base-Base interactions energy: -7.127
where: short stacking energy: -3.677
Base-Backbone interact. energy: -0.606
local terms energy: -29.400524
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -8.866
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: 10.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 461
Temperature: 2.500000
Total energy: -39.515971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.515971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.515971 (E_RNA)
where:
Base-Base interactions energy: -9.491
where: short stacking energy: -9.715
Base-Backbone interact. energy: 3.030
local terms energy: -33.055005
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -1.934
tors. eta vs tors. theta energy: 2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 462
Temperature: 2.350000
Total energy: -38.472101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.472101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.472101 (E_RNA)
where:
Base-Base interactions energy: -8.111
where: short stacking energy: -7.395
Base-Backbone interact. energy: 0.805
local terms energy: -31.165562
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -3.246
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: 8.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 2.366667
Total energy: -39.139856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.139856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.139856 (E_RNA)
where:
Base-Base interactions energy: -5.893
where: short stacking energy: -4.334
Base-Backbone interact. energy: 1.173
local terms energy: -34.419236
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -9.361
flat angles P-C4'-P energy: -4.083
tors. eta vs tors. theta energy: 9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 462
Temperature: 2.383333
Total energy: -40.623183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.623183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.623183 (E_RNA)
where:
Base-Base interactions energy: -10.973
where: short stacking energy: -10.770
Base-Backbone interact. energy: 0.056
local terms energy: -29.706913
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -5.784
flat angles P-C4'-P energy: 1.623
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: 4, replica: 1
=====================================
Write number: 462
Temperature: 2.400000
Total energy: -39.826694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.826694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.826694 (E_RNA)
where:
Base-Base interactions energy: -4.849
where: short stacking energy: -4.849
Base-Backbone interact. energy: -0.101
local terms energy: -34.876437
where:
bonds (distance) C4'-P energy: -8.192
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -5.646
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: 5, replica: 6
=====================================
Write number: 462
Temperature: 2.416667
Total energy: -41.813739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.813739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.813739 (E_RNA)
where:
Base-Base interactions energy: -8.175
where: short stacking energy: -4.098
Base-Backbone interact. energy: 0.726
local terms energy: -34.364941
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -8.854
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: 6.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 462
Temperature: 2.433333
Total energy: -36.083723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.083723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.083723 (E_RNA)
where:
Base-Base interactions energy: -3.132
where: short stacking energy: -1.817
Base-Backbone interact. energy: -0.487
local terms energy: -32.464403
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -5.724
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: 6.212
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: 9
=====================================
Write number: 462
Temperature: 2.450000
Total energy: -37.337226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.337226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.337226 (E_RNA)
where:
Base-Base interactions energy: -4.724
where: short stacking energy: -5.994
Base-Backbone interact. energy: -0.264
local terms energy: -32.349974
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: 0.597
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: 5.413
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: 8, replica: 7
=====================================
Write number: 462
Temperature: 2.466667
Total energy: -37.116196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.116196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.116196 (E_RNA)
where:
Base-Base interactions energy: -7.901
where: short stacking energy: -4.552
Base-Backbone interact. energy: 0.037
local terms energy: -29.252094
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -6.060
flat angles P-C4'-P energy: -2.623
tors. eta vs tors. theta energy: 6.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 462
Temperature: 2.483333
Total energy: -34.584464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.584464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.584464 (E_RNA)
where:
Base-Base interactions energy: -4.286
where: short stacking energy: -4.949
Base-Backbone interact. energy: 1.116
local terms energy: -31.415189
where:
bonds (distance) C4'-P energy: -8.099
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: 12.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 462
Temperature: 2.500000
Total energy: -42.208305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.208305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.208305 (E_RNA)
where:
Base-Base interactions energy: -6.812
where: short stacking energy: -6.126
Base-Backbone interact. energy: -0.424
local terms energy: -34.972338
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: 8.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 463
Temperature: 2.350000
Total energy: -39.678109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.678109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.678109 (E_RNA)
where:
Base-Base interactions energy: -10.852
where: short stacking energy: -8.470
Base-Backbone interact. energy: 2.199
local terms energy: -31.025071
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -7.418
flat angles P-C4'-P energy: -3.989
tors. eta vs tors. theta energy: 1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 463
Temperature: 2.366667
Total energy: -43.720900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.720900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.720900 (E_RNA)
where:
Base-Base interactions energy: -5.901
where: short stacking energy: -4.124
Base-Backbone interact. energy: -0.238
local terms energy: -37.581616
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -8.328
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: 5.163
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: 2
=====================================
Write number: 463
Temperature: 2.383333
Total energy: -36.306654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.306654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.306654 (E_RNA)
where:
Base-Base interactions energy: -8.943
where: short stacking energy: -8.292
Base-Backbone interact. energy: 1.728
local terms energy: -29.092066
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -2.457
flat angles P-C4'-P energy: -7.208
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: 4, replica: 6
=====================================
Write number: 463
Temperature: 2.400000
Total energy: -33.341326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.341326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.341326 (E_RNA)
where:
Base-Base interactions energy: -2.446
where: short stacking energy: -2.971
Base-Backbone interact. energy: 0.600
local terms energy: -31.494886
where:
bonds (distance) C4'-P energy: -6.621
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -0.336
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: 5, replica: 1
=====================================
Write number: 463
Temperature: 2.416667
Total energy: -41.976586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.976586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.976586 (E_RNA)
where:
Base-Base interactions energy: -10.537
where: short stacking energy: -10.537
Base-Backbone interact. energy: -0.271
local terms energy: -31.168325
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -11.533
flat angles C4'-P-C4' energy: -1.133
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: 6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 463
Temperature: 2.433333
Total energy: -34.841871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.841871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.841871 (E_RNA)
where:
Base-Base interactions energy: -8.661
where: short stacking energy: -6.997
Base-Backbone interact. energy: -0.038
local terms energy: -26.143345
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -4.403
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: 10.618
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: 463
Temperature: 2.450000
Total energy: -39.129548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.129548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.129548 (E_RNA)
where:
Base-Base interactions energy: -8.913
where: short stacking energy: -8.131
Base-Backbone interact. energy: -0.190
local terms energy: -30.026213
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -4.856
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: 1.896
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: 5
=====================================
Write number: 463
Temperature: 2.466667
Total energy: -34.047692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.047692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.047692 (E_RNA)
where:
Base-Base interactions energy: -2.746
where: short stacking energy: -2.746
Base-Backbone interact. energy: -0.179
local terms energy: -31.122653
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -6.750
flat angles P-C4'-P energy: -3.834
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: 7
=====================================
Write number: 463
Temperature: 2.483333
Total energy: -33.545466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.545466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.545466 (E_RNA)
where:
Base-Base interactions energy: -6.956
where: short stacking energy: -6.815
Base-Backbone interact. energy: -0.089
local terms energy: -26.500161
where:
bonds (distance) C4'-P energy: -7.029
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -3.762
flat angles P-C4'-P energy: -5.003
tors. eta vs tors. theta energy: 3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 463
Temperature: 2.500000
Total energy: -34.067922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.067922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.067922 (E_RNA)
where:
Base-Base interactions energy: -5.951
where: short stacking energy: -4.317
Base-Backbone interact. energy: 0.134
local terms energy: -28.251101
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -4.405
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: 8.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 464
Temperature: 2.350000
Total energy: -38.019869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.019869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.019869 (E_RNA)
where:
Base-Base interactions energy: -8.313
where: short stacking energy: -3.217
Base-Backbone interact. energy: -0.177
local terms energy: -29.529908
where:
bonds (distance) C4'-P energy: -6.467
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -9.398
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: 6.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 464
Temperature: 2.366667
Total energy: -40.170030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.170030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.170030 (E_RNA)
where:
Base-Base interactions energy: -12.407
where: short stacking energy: -9.198
Base-Backbone interact. energy: 1.109
local terms energy: -28.872276
where:
bonds (distance) C4'-P energy: -4.734
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -7.192
flat angles P-C4'-P energy: -3.382
tors. eta vs tors. theta energy: 4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 464
Temperature: 2.383333
Total energy: -44.914665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.914665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.914665 (E_RNA)
where:
Base-Base interactions energy: -8.405
where: short stacking energy: -7.988
Base-Backbone interact. energy: -0.279
local terms energy: -36.230106
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -5.904
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -13.377
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: 4, replica: 2
=====================================
Write number: 464
Temperature: 2.400000
Total energy: -36.518470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.518470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.518470 (E_RNA)
where:
Base-Base interactions energy: -8.596
where: short stacking energy: -8.549
Base-Backbone interact. energy: -0.950
local terms energy: -26.973254
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -7.264
flat angles P-C4'-P energy: -1.957
tors. eta vs tors. theta energy: 5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 464
Temperature: 2.416667
Total energy: -35.756508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.756508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.756508 (E_RNA)
where:
Base-Base interactions energy: -4.502
where: short stacking energy: -3.581
Base-Backbone interact. energy: -0.475
local terms energy: -30.778930
where:
bonds (distance) C4'-P energy: -6.888
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -9.277
flat angles P-C4'-P energy: -2.201
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: 6, replica: 1
=====================================
Write number: 464
Temperature: 2.433333
Total energy: -32.488083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.488083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.488083 (E_RNA)
where:
Base-Base interactions energy: -4.693
where: short stacking energy: -4.693
Base-Backbone interact. energy: -0.189
local terms energy: -27.605487
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -8.167
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -3.627
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: 7, replica: 5
=====================================
Write number: 464
Temperature: 2.450000
Total energy: -36.705416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.705416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.705416 (E_RNA)
where:
Base-Base interactions energy: -1.752
where: short stacking energy: -1.752
Base-Backbone interact. energy: -0.117
local terms energy: -34.836912
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -8.013
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: 5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 464
Temperature: 2.466667
Total energy: -44.169730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.169730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.169730 (E_RNA)
where:
Base-Base interactions energy: -9.075
where: short stacking energy: -7.036
Base-Backbone interact. energy: -0.468
local terms energy: -34.626514
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -7.669
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: 8.814
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: 4
=====================================
Write number: 464
Temperature: 2.483333
Total energy: -37.208879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.208879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.208879 (E_RNA)
where:
Base-Base interactions energy: -7.368
where: short stacking energy: -5.788
Base-Backbone interact. energy: -0.153
local terms energy: -29.688120
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -7.831
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: 7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 464
Temperature: 2.500000
Total energy: -37.262692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.262692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.262692 (E_RNA)
where:
Base-Base interactions energy: -6.312
where: short stacking energy: -6.312
Base-Backbone interact. energy: -0.274
local terms energy: -30.676374
where:
bonds (distance) C4'-P energy: -9.086
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -4.944
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: 4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 465
Temperature: 2.350000
Total energy: -43.194528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.194528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.194528 (E_RNA)
where:
Base-Base interactions energy: -12.895
where: short stacking energy: -11.934
Base-Backbone interact. energy: -0.461
local terms energy: -29.838639
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -2.032
tors. eta vs tors. theta energy: 12.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 465
Temperature: 2.366667
Total energy: -33.970586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.970586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.970586 (E_RNA)
where:
Base-Base interactions energy: -8.363
where: short stacking energy: -6.501
Base-Backbone interact. energy: -0.678
local terms energy: -24.929960
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -5.367
flat angles P-C4'-P energy: -0.343
tors. eta vs tors. theta energy: 7.058
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: 3, replica: 10
=====================================
Write number: 465
Temperature: 2.383333
Total energy: -35.928684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.928684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.928684 (E_RNA)
where:
Base-Base interactions energy: -10.481
where: short stacking energy: -9.072
Base-Backbone interact. energy: -0.820
local terms energy: -24.627510
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -9.271
flat angles C4'-P-C4' energy: -3.207
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: 4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 465
Temperature: 2.400000
Total energy: -37.629247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.629247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.629247 (E_RNA)
where:
Base-Base interactions energy: -5.615
where: short stacking energy: -5.177
Base-Backbone interact. energy: 0.909
local terms energy: -32.923536
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -5.457
flat angles P-C4'-P energy: 1.047
tors. eta vs tors. theta energy: 7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 465
Temperature: 2.416667
Total energy: -39.775429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.775429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.775429 (E_RNA)
where:
Base-Base interactions energy: -4.044
where: short stacking energy: -3.076
Base-Backbone interact. energy: -0.122
local terms energy: -35.609963
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -9.650
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -8.842
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: 6, replica: 5
=====================================
Write number: 465
Temperature: 2.433333
Total energy: -38.904432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.904432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.904432 (E_RNA)
where:
Base-Base interactions energy: -6.132
where: short stacking energy: -6.958
Base-Backbone interact. energy: 0.186
local terms energy: -32.958538
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -9.719
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: 6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 465
Temperature: 2.450000
Total energy: -37.792082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.792082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.792082 (E_RNA)
where:
Base-Base interactions energy: -2.195
where: short stacking energy: 0.282
Base-Backbone interact. energy: 0.054
local terms energy: -35.651551
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -8.805
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: 9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 465
Temperature: 2.466667
Total energy: -42.353581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.353581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.353581 (E_RNA)
where:
Base-Base interactions energy: -12.341
where: short stacking energy: -7.590
Base-Backbone interact. energy: -0.372
local terms energy: -29.640509
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -2.572
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: 7.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 465
Temperature: 2.483333
Total energy: -34.688734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.688734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.688734 (E_RNA)
where:
Base-Base interactions energy: -6.494
where: short stacking energy: -4.440
Base-Backbone interact. energy: 1.902
local terms energy: -30.097583
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -2.479
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: 7.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 465
Temperature: 2.500000
Total energy: -33.469701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.469701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.469701 (E_RNA)
where:
Base-Base interactions energy: -7.023
where: short stacking energy: -6.172
Base-Backbone interact. energy: -0.305
local terms energy: -26.141440
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -2.929
tors. eta vs tors. theta energy: 10.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 466
Temperature: 2.350000
Total energy: -43.645716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.645716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.645716 (E_RNA)
where:
Base-Base interactions energy: -9.689
where: short stacking energy: -8.864
Base-Backbone interact. energy: -0.441
local terms energy: -33.515003
where:
bonds (distance) C4'-P energy: -7.657
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -6.527
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: 3.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 466
Temperature: 2.366667
Total energy: -35.580138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.580138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.580138 (E_RNA)
where:
Base-Base interactions energy: -5.985
where: short stacking energy: -5.449
Base-Backbone interact. energy: 2.089
local terms energy: -31.683649
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -8.574
flat angles C4'-P-C4' energy: -7.286
flat angles P-C4'-P energy: -3.005
tors. eta vs tors. theta energy: 4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 466
Temperature: 2.383333
Total energy: -39.905239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.905239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.905239 (E_RNA)
where:
Base-Base interactions energy: -1.955
where: short stacking energy: -1.281
Base-Backbone interact. energy: 0.197
local terms energy: -38.147746
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -9.337
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: 10.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 466
Temperature: 2.400000
Total energy: -44.189239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.189239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.189239 (E_RNA)
where:
Base-Base interactions energy: -9.477
where: short stacking energy: -8.182
Base-Backbone interact. energy: -0.178
local terms energy: -34.534492
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -4.421
flat angles P-C4'-P energy: -8.114
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: 5, replica: 5
=====================================
Write number: 466
Temperature: 2.416667
Total energy: -35.925939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.925939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.925939 (E_RNA)
where:
Base-Base interactions energy: -14.168
where: short stacking energy: -11.163
Base-Backbone interact. energy: 7.588
local terms energy: -29.346073
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -8.179
flat angles P-C4'-P energy: -4.239
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: 2
=====================================
Write number: 466
Temperature: 2.433333
Total energy: -34.860017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.860017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.860017 (E_RNA)
where:
Base-Base interactions energy: -4.469
where: short stacking energy: -2.971
Base-Backbone interact. energy: -0.461
local terms energy: -29.930266
where:
bonds (distance) C4'-P energy: -7.698
bonds (distance) P-C4' energy: -10.432
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -3.840
tors. eta vs tors. theta energy: 6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 466
Temperature: 2.450000
Total energy: -34.598386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.598386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.598386 (E_RNA)
where:
Base-Base interactions energy: -7.140
where: short stacking energy: -7.140
Base-Backbone interact. energy: -0.221
local terms energy: -27.236724
where:
bonds (distance) C4'-P energy: -8.284
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -5.240
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: 10.062
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: 1
=====================================
Write number: 466
Temperature: 2.466667
Total energy: -37.549273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.549273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.549273 (E_RNA)
where:
Base-Base interactions energy: -11.468
where: short stacking energy: -9.196
Base-Backbone interact. energy: 4.757
local terms energy: -30.837703
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -7.946
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: 7.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 466
Temperature: 2.483333
Total energy: -33.673198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.673198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.673198 (E_RNA)
where:
Base-Base interactions energy: -2.602
where: short stacking energy: -2.602
Base-Backbone interact. energy: -0.146
local terms energy: -30.925252
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: 0.296
tors. eta vs tors. theta energy: 7.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 466
Temperature: 2.500000
Total energy: -37.942393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.942393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.942393 (E_RNA)
where:
Base-Base interactions energy: -4.599
where: short stacking energy: -4.999
Base-Backbone interact. energy: 1.244
local terms energy: -34.587993
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -7.818
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: 3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 467
Temperature: 2.350000
Total energy: -42.300001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.300001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.300001 (E_RNA)
where:
Base-Base interactions energy: -8.742
where: short stacking energy: -8.539
Base-Backbone interact. energy: -0.229
local terms energy: -33.328913
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -8.398
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: 12.278
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: 9
=====================================
Write number: 467
Temperature: 2.366667
Total energy: -41.609450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.609450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.609450 (E_RNA)
where:
Base-Base interactions energy: -3.891
where: short stacking energy: -1.739
Base-Backbone interact. energy: -0.275
local terms energy: -37.443049
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: 7.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 467
Temperature: 2.383333
Total energy: -37.453309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.453309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.453309 (E_RNA)
where:
Base-Base interactions energy: -9.249
where: short stacking energy: -8.424
Base-Backbone interact. energy: -0.293
local terms energy: -27.910961
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -0.359
tors. eta vs tors. theta energy: 10.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 467
Temperature: 2.400000
Total energy: -38.358384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.358384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.358384 (E_RNA)
where:
Base-Base interactions energy: -10.082
where: short stacking energy: -10.082
Base-Backbone interact. energy: -0.800
local terms energy: -27.476219
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -3.039
flat angles P-C4'-P energy: -1.388
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: 5, replica: 10
=====================================
Write number: 467
Temperature: 2.416667
Total energy: -45.395981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.395981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.395981 (E_RNA)
where:
Base-Base interactions energy: -4.224
where: short stacking energy: -3.472
Base-Backbone interact. energy: 0.622
local terms energy: -41.793676
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: 2.123
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: 6, replica: 4
=====================================
Write number: 467
Temperature: 2.433333
Total energy: -35.951655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.951655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.951655 (E_RNA)
where:
Base-Base interactions energy: -2.777
where: short stacking energy: -2.474
Base-Backbone interact. energy: -0.087
local terms energy: -33.087669
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -0.534
tors. eta vs tors. theta energy: 7.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 467
Temperature: 2.450000
Total energy: -38.186052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.186052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.186052 (E_RNA)
where:
Base-Base interactions energy: -5.672
where: short stacking energy: -5.421
Base-Backbone interact. energy: -1.142
local terms energy: -31.371680
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -9.860
flat angles C4'-P-C4' energy: -9.493
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: 9.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 467
Temperature: 2.466667
Total energy: -37.962703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.962703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.962703 (E_RNA)
where:
Base-Base interactions energy: -3.617
where: short stacking energy: -3.242
Base-Backbone interact. energy: -0.842
local terms energy: -33.503561
where:
bonds (distance) C4'-P energy: -10.076
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -9.000
flat angles P-C4'-P energy: -1.664
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: 9, replica: 1
=====================================
Write number: 467
Temperature: 2.483333
Total energy: -39.328862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.328862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.328862 (E_RNA)
where:
Base-Base interactions energy: -4.868
where: short stacking energy: -4.868
Base-Backbone interact. energy: -0.217
local terms energy: -34.243400
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -2.951
flat angles P-C4'-P energy: -10.565
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: 10, replica: 3
=====================================
Write number: 467
Temperature: 2.500000
Total energy: -32.394837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.394837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.394837 (E_RNA)
where:
Base-Base interactions energy: -4.011
where: short stacking energy: -3.323
Base-Backbone interact. energy: 2.317
local terms energy: -30.700736
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -8.834
flat angles P-C4'-P energy: -4.331
tors. eta vs tors. theta energy: 7.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 468
Temperature: 2.350000
Total energy: -36.250943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.250943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.250943 (E_RNA)
where:
Base-Base interactions energy: -14.733
where: short stacking energy: -8.683
Base-Backbone interact. energy: 1.918
local terms energy: -23.436182
where:
bonds (distance) C4'-P energy: -4.605
bonds (distance) P-C4' energy: -10.479
flat angles C4'-P-C4' energy: -2.489
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: 2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 468
Temperature: 2.366667
Total energy: -38.338902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.338902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.338902 (E_RNA)
where:
Base-Base interactions energy: -4.841
where: short stacking energy: -3.105
Base-Backbone interact. energy: -0.226
local terms energy: -33.272443
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: 10.380
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: 5
=====================================
Write number: 468
Temperature: 2.383333
Total energy: -40.735312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.735312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.735312 (E_RNA)
where:
Base-Base interactions energy: -9.587
where: short stacking energy: -4.453
Base-Backbone interact. energy: -0.403
local terms energy: -30.745273
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -10.079
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: 6.536
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: 8
=====================================
Write number: 468
Temperature: 2.400000
Total energy: -34.132158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.132158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.132158 (E_RNA)
where:
Base-Base interactions energy: -9.431
where: short stacking energy: -9.431
Base-Backbone interact. energy: -0.089
local terms energy: -24.612651
where:
bonds (distance) C4'-P energy: -3.786
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -4.956
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: 5, replica: 4
=====================================
Write number: 468
Temperature: 2.416667
Total energy: -34.229198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.229198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.229198 (E_RNA)
where:
Base-Base interactions energy: -4.958
where: short stacking energy: -4.958
Base-Backbone interact. energy: 2.119
local terms energy: -31.389738
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -3.185
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: 8.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 468
Temperature: 2.433333
Total energy: -29.182777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.182777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.182777 (E_RNA)
where:
Base-Base interactions energy: -4.176
where: short stacking energy: -2.293
Base-Backbone interact. energy: -0.372
local terms energy: -24.634977
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -6.427
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: 13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 468
Temperature: 2.450000
Total energy: -36.318339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.318339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.318339 (E_RNA)
where:
Base-Base interactions energy: -8.803
where: short stacking energy: -7.739
Base-Backbone interact. energy: -0.196
local terms energy: -27.319302
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -5.368
flat angles P-C4'-P energy: 2.368
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: 8, replica: 2
=====================================
Write number: 468
Temperature: 2.466667
Total energy: -32.945015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.945015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.945015 (E_RNA)
where:
Base-Base interactions energy: -4.281
where: short stacking energy: -1.726
Base-Backbone interact. energy: -0.362
local terms energy: -28.302196
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -0.878
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: 8.046
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: 3
=====================================
Write number: 468
Temperature: 2.483333
Total energy: -33.296806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.296806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.296806 (E_RNA)
where:
Base-Base interactions energy: -5.752
where: short stacking energy: -5.646
Base-Backbone interact. energy: -0.604
local terms energy: -26.940445
where:
bonds (distance) C4'-P energy: -7.422
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -0.838
tors. eta vs tors. theta energy: 9.460
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: 1
=====================================
Write number: 468
Temperature: 2.500000
Total energy: -35.082381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.082381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.082381 (E_RNA)
where:
Base-Base interactions energy: -6.949
where: short stacking energy: -3.379
Base-Backbone interact. energy: -0.278
local terms energy: -27.855200
where:
bonds (distance) C4'-P energy: -8.602
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: 0.396
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: 1, replica: 9
=====================================
Write number: 469
Temperature: 2.350000
Total energy: -37.039778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.039778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.039778 (E_RNA)
where:
Base-Base interactions energy: -16.352
where: short stacking energy: -10.253
Base-Backbone interact. energy: -0.295
local terms energy: -20.393276
where:
bonds (distance) C4'-P energy: -10.167
bonds (distance) P-C4' energy: -3.699
flat angles C4'-P-C4' energy: -5.570
flat angles P-C4'-P energy: -4.211
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: 2, replica: 5
=====================================
Write number: 469
Temperature: 2.366667
Total energy: -39.339829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.339829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.339829 (E_RNA)
where:
Base-Base interactions energy: -8.996
where: short stacking energy: -9.396
Base-Backbone interact. energy: -0.083
local terms energy: -30.261391
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -2.348
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: 1.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 469
Temperature: 2.383333
Total energy: -36.585111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.585111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.585111 (E_RNA)
where:
Base-Base interactions energy: -9.527
where: short stacking energy: -9.193
Base-Backbone interact. energy: -0.336
local terms energy: -26.721905
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -5.502
flat angles P-C4'-P energy: -3.013
tors. eta vs tors. theta energy: 8.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 469
Temperature: 2.400000
Total energy: -40.333328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.333328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.333328 (E_RNA)
where:
Base-Base interactions energy: -9.508
where: short stacking energy: -6.174
Base-Backbone interact. energy: 2.205
local terms energy: -33.030523
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -8.097
flat angles P-C4'-P energy: -2.371
tors. eta vs tors. theta energy: 4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 469
Temperature: 2.416667
Total energy: -35.327464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.327464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.327464 (E_RNA)
where:
Base-Base interactions energy: -3.189
where: short stacking energy: -3.189
Base-Backbone interact. energy: -0.208
local terms energy: -31.930382
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -7.157
flat angles P-C4'-P energy: 1.709
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: 6, replica: 7
=====================================
Write number: 469
Temperature: 2.433333
Total energy: -40.385185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.385185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.385185 (E_RNA)
where:
Base-Base interactions energy: -7.761
where: short stacking energy: -4.272
Base-Backbone interact. energy: 0.021
local terms energy: -32.645084
where:
bonds (distance) C4'-P energy: -7.371
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -4.797
flat angles P-C4'-P energy: -3.499
tors. eta vs tors. theta energy: 0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 469
Temperature: 2.450000
Total energy: -33.055095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.055095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.055095 (E_RNA)
where:
Base-Base interactions energy: -12.887
where: short stacking energy: -13.087
Base-Backbone interact. energy: 2.759
local terms energy: -22.926993
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -5.216
flat angles C4'-P-C4' energy: -4.952
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: 8.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 469
Temperature: 2.466667
Total energy: -36.416159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.416159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.416159 (E_RNA)
where:
Base-Base interactions energy: -8.722
where: short stacking energy: -7.416
Base-Backbone interact. energy: -0.361
local terms energy: -27.332821
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -6.337
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: 8.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 469
Temperature: 2.483333
Total energy: -41.990861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.990861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.990861 (E_RNA)
where:
Base-Base interactions energy: -11.833
where: short stacking energy: -9.067
Base-Backbone interact. energy: -0.027
local terms energy: -30.130251
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: 11.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 2.500000
Total energy: -32.376095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.376095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.376095 (E_RNA)
where:
Base-Base interactions energy: -8.461
where: short stacking energy: -5.174
Base-Backbone interact. energy: -0.619
local terms energy: -23.296484
where:
bonds (distance) C4'-P energy: -6.115
bonds (distance) P-C4' energy: -10.596
flat angles C4'-P-C4' energy: -7.420
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: 8.010
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: 5
=====================================
Write number: 470
Temperature: 2.350000
Total energy: -36.788691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.788691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.788691 (E_RNA)
where:
Base-Base interactions energy: -8.421
where: short stacking energy: -8.280
Base-Backbone interact. energy: 1.236
local terms energy: -29.603929
where:
bonds (distance) C4'-P energy: -7.174
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -3.916
flat angles P-C4'-P energy: -6.719
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: 2, replica: 9
=====================================
Write number: 470
Temperature: 2.366667
Total energy: -36.557617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.557617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.557617 (E_RNA)
where:
Base-Base interactions energy: -3.409
where: short stacking energy: -3.409
Base-Backbone interact. energy: 4.246
local terms energy: -37.394006
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -10.499
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: 13.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 2.383333
Total energy: -41.048355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.048355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.048355 (E_RNA)
where:
Base-Base interactions energy: -6.926
where: short stacking energy: -6.926
Base-Backbone interact. energy: -0.015
local terms energy: -34.106706
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -2.970
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: 4, replica: 6
=====================================
Write number: 470
Temperature: 2.400000
Total energy: -33.015826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.015826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.015826 (E_RNA)
where:
Base-Base interactions energy: -14.403
where: short stacking energy: -6.695
Base-Backbone interact. energy: -2.035
local terms energy: -16.577044
where:
bonds (distance) C4'-P energy: -10.026
bonds (distance) P-C4' energy: 1.165
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -4.913
tors. eta vs tors. theta energy: 8.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 470
Temperature: 2.416667
Total energy: -39.790594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.790594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.790594 (E_RNA)
where:
Base-Base interactions energy: -4.558
where: short stacking energy: -3.314
Base-Backbone interact. energy: -0.316
local terms energy: -34.916260
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -9.755
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: 7.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 470
Temperature: 2.433333
Total energy: -44.839693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.839693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.839693 (E_RNA)
where:
Base-Base interactions energy: -12.422
where: short stacking energy: -9.562
Base-Backbone interact. energy: 0.422
local terms energy: -32.839095
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -0.724
tors. eta vs tors. theta energy: 9.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 470
Temperature: 2.450000
Total energy: -38.083461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.083461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.083461 (E_RNA)
where:
Base-Base interactions energy: -7.311
where: short stacking energy: -7.046
Base-Backbone interact. energy: -0.237
local terms energy: -30.534897
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: 8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 470
Temperature: 2.466667
Total energy: -38.303320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.303320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.303320 (E_RNA)
where:
Base-Base interactions energy: -5.070
where: short stacking energy: -3.035
Base-Backbone interact. energy: 1.317
local terms energy: -34.550770
where:
bonds (distance) C4'-P energy: -9.699
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -7.375
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: 7.860
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: 1
=====================================
Write number: 470
Temperature: 2.483333
Total energy: -34.061821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.061821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.061821 (E_RNA)
where:
Base-Base interactions energy: -8.314
where: short stacking energy: -4.937
Base-Backbone interact. energy: -0.475
local terms energy: -25.273093
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -8.020
flat angles P-C4'-P energy: 0.648
tors. eta vs tors. theta energy: 5.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 470
Temperature: 2.500000
Total energy: -44.893704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.893704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.893704 (E_RNA)
where:
Base-Base interactions energy: -13.848
where: short stacking energy: -9.944
Base-Backbone interact. energy: -0.480
local terms energy: -30.564859
where:
bonds (distance) C4'-P energy: -6.594
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: 4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 2.350000
Total energy: -35.333778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.333778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.333778 (E_RNA)
where:
Base-Base interactions energy: -8.485
where: short stacking energy: -7.058
Base-Backbone interact. energy: -0.413
local terms energy: -26.435608
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -8.515
flat angles C4'-P-C4' energy: -1.806
flat angles P-C4'-P energy: -8.331
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: 471
Temperature: 2.366667
Total energy: -41.697531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.697531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.697531 (E_RNA)
where:
Base-Base interactions energy: -5.076
where: short stacking energy: -4.826
Base-Backbone interact. energy: 0.136
local terms energy: -36.757553
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -1.965
tors. eta vs tors. theta energy: 6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 471
Temperature: 2.383333
Total energy: -41.573717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.573717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.573717 (E_RNA)
where:
Base-Base interactions energy: -7.694
where: short stacking energy: -7.694
Base-Backbone interact. energy: -0.021
local terms energy: -33.859119
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -4.947
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: 10.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 471
Temperature: 2.400000
Total energy: -34.692326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.692326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.692326 (E_RNA)
where:
Base-Base interactions energy: -10.033
where: short stacking energy: -7.913
Base-Backbone interact. energy: 1.275
local terms energy: -25.934607
where:
bonds (distance) C4'-P energy: -5.715
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -2.270
tors. eta vs tors. theta energy: 9.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 471
Temperature: 2.416667
Total energy: -39.318515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.318515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.318515 (E_RNA)
where:
Base-Base interactions energy: -10.128
where: short stacking energy: -5.395
Base-Backbone interact. energy: -0.438
local terms energy: -28.752149
where:
bonds (distance) C4'-P energy: -2.714
bonds (distance) P-C4' energy: -9.302
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: 6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 2.433333
Total energy: -35.094999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.094999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.094999 (E_RNA)
where:
Base-Base interactions energy: -3.678
where: short stacking energy: -3.678
Base-Backbone interact. energy: -0.202
local terms energy: -31.215193
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -7.155
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: 14.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 471
Temperature: 2.450000
Total energy: -39.055448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.055448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.055448 (E_RNA)
where:
Base-Base interactions energy: -4.842
where: short stacking energy: -5.212
Base-Backbone interact. energy: 0.081
local terms energy: -34.294760
where:
bonds (distance) C4'-P energy: -8.102
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -0.644
tors. eta vs tors. theta energy: 4.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 471
Temperature: 2.466667
Total energy: -43.719243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.719243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.719243 (E_RNA)
where:
Base-Base interactions energy: -10.387
where: short stacking energy: -10.073
Base-Backbone interact. energy: -0.406
local terms energy: -32.926292
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -4.459
flat angles P-C4'-P energy: -1.966
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: 10
=====================================
Write number: 471
Temperature: 2.483333
Total energy: -33.005132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.005132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.005132 (E_RNA)
where:
Base-Base interactions energy: -4.387
where: short stacking energy: -4.258
Base-Backbone interact. energy: 2.733
local terms energy: -31.351172
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -7.322
flat angles P-C4'-P energy: -0.963
tors. eta vs tors. theta energy: 12.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 471
Temperature: 2.500000
Total energy: -39.514354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.514354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.514354 (E_RNA)
where:
Base-Base interactions energy: -4.628
where: short stacking energy: -4.628
Base-Backbone interact. energy: -0.357
local terms energy: -34.529719
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: 0.926
tors. eta vs tors. theta energy: 8.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 2.350000
Total energy: -36.772484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.772484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.772484 (E_RNA)
where:
Base-Base interactions energy: -5.237
where: short stacking energy: -2.201
Base-Backbone interact. energy: -0.179
local terms energy: -31.356708
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -8.829
flat angles C4'-P-C4' energy: -4.779
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: 5.968
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: 5
=====================================
Write number: 472
Temperature: 2.366667
Total energy: -35.638224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.638224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.638224 (E_RNA)
where:
Base-Base interactions energy: -13.360
where: short stacking energy: -6.660
Base-Backbone interact. energy: 0.488
local terms energy: -22.766628
where:
bonds (distance) C4'-P energy: -8.511
bonds (distance) P-C4' energy: -6.543
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -3.533
tors. eta vs tors. theta energy: 11.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 472
Temperature: 2.383333
Total energy: -36.391162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.391162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.391162 (E_RNA)
where:
Base-Base interactions energy: -5.637
where: short stacking energy: -5.637
Base-Backbone interact. energy: -0.701
local terms energy: -30.052882
where:
bonds (distance) C4'-P energy: -7.438
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: 8.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 472
Temperature: 2.400000
Total energy: -40.329467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.329467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.329467 (E_RNA)
where:
Base-Base interactions energy: -12.882
where: short stacking energy: -13.177
Base-Backbone interact. energy: 3.565
local terms energy: -31.011895
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -5.580
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: 8.896
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: 5, replica: 3
=====================================
Write number: 472
Temperature: 2.416667
Total energy: -35.519390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.519390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.519390 (E_RNA)
where:
Base-Base interactions energy: -4.443
where: short stacking energy: -1.682
Base-Backbone interact. energy: -0.903
local terms energy: -30.172971
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -5.247
flat angles P-C4'-P energy: -4.723
tors. eta vs tors. theta energy: 11.913
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: 6
=====================================
Write number: 472
Temperature: 2.433333
Total energy: -39.383121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.383121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.383121 (E_RNA)
where:
Base-Base interactions energy: -5.700
where: short stacking energy: -4.272
Base-Backbone interact. energy: -0.358
local terms energy: -33.324607
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -7.673
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: 10.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 472
Temperature: 2.450000
Total energy: -33.233212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.233212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.233212 (E_RNA)
where:
Base-Base interactions energy: -6.515
where: short stacking energy: -6.515
Base-Backbone interact. energy: -0.255
local terms energy: -26.463009
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -4.386
flat angles P-C4'-P energy: -2.997
tors. eta vs tors. theta energy: 7.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 472
Temperature: 2.466667
Total energy: -44.252655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.252655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.252655 (E_RNA)
where:
Base-Base interactions energy: -8.180
where: short stacking energy: -7.104
Base-Backbone interact. energy: -0.543
local terms energy: -35.530250
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -9.575
flat angles P-C4'-P energy: 0.051
tors. eta vs tors. theta energy: 5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 472
Temperature: 2.483333
Total energy: -34.660447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.660447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.660447 (E_RNA)
where:
Base-Base interactions energy: -5.758
where: short stacking energy: -5.796
Base-Backbone interact. energy: -0.231
local terms energy: -28.671929
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -4.192
tors. eta vs tors. theta energy: 8.448
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: 10
=====================================
Write number: 472
Temperature: 2.500000
Total energy: -36.289432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.289432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.289432 (E_RNA)
where:
Base-Base interactions energy: -9.641
where: short stacking energy: -9.474
Base-Backbone interact. energy: 1.527
local terms energy: -28.175289
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -5.502
flat angles P-C4'-P energy: -0.944
tors. eta vs tors. theta energy: 7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 2.350000
Total energy: -39.882915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.882915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.882915 (E_RNA)
where:
Base-Base interactions energy: -6.420
where: short stacking energy: -6.420
Base-Backbone interact. energy: 2.329
local terms energy: -35.792004
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -6.622
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: 2, replica: 7
=====================================
Write number: 473
Temperature: 2.366667
Total energy: -41.062076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.062076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.062076 (E_RNA)
where:
Base-Base interactions energy: -7.566
where: short stacking energy: -6.866
Base-Backbone interact. energy: -0.189
local terms energy: -33.307070
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -2.573
flat angles P-C4'-P energy: -8.972
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: 3, replica: 5
=====================================
Write number: 473
Temperature: 2.383333
Total energy: -38.196413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.196413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.196413 (E_RNA)
where:
Base-Base interactions energy: -7.136
where: short stacking energy: -4.562
Base-Backbone interact. energy: -0.308
local terms energy: -30.751880
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -1.872
tors. eta vs tors. theta energy: 9.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 473
Temperature: 2.400000
Total energy: -36.337015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.337015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.337015 (E_RNA)
where:
Base-Base interactions energy: -9.985
where: short stacking energy: -6.868
Base-Backbone interact. energy: -0.325
local terms energy: -26.027052
where:
bonds (distance) C4'-P energy: -9.505
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -1.038
tors. eta vs tors. theta energy: 9.485
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: 9
=====================================
Write number: 473
Temperature: 2.416667
Total energy: -40.696965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.696965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.696965 (E_RNA)
where:
Base-Base interactions energy: -6.063
where: short stacking energy: -5.504
Base-Backbone interact. energy: 1.538
local terms energy: -36.171822
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -3.382
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: 6, replica: 1
=====================================
Write number: 473
Temperature: 2.433333
Total energy: -38.258633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.258633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.258633 (E_RNA)
where:
Base-Base interactions energy: -9.850
where: short stacking energy: -6.436
Base-Backbone interact. energy: -0.719
local terms energy: -27.689352
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -8.095
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -2.217
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: 7, replica: 6
=====================================
Write number: 473
Temperature: 2.450000
Total energy: -38.521796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.521796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.521796 (E_RNA)
where:
Base-Base interactions energy: -3.264
where: short stacking energy: -2.119
Base-Backbone interact. energy: 2.934
local terms energy: -38.191903
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: 10.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 473
Temperature: 2.466667
Total energy: -37.714656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.714656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.714656 (E_RNA)
where:
Base-Base interactions energy: -8.555
where: short stacking energy: -6.873
Base-Backbone interact. energy: 2.964
local terms energy: -32.124076
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -3.573
tors. eta vs tors. theta energy: 7.189
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: 8
=====================================
Write number: 473
Temperature: 2.483333
Total energy: -37.778383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.778383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.778383 (E_RNA)
where:
Base-Base interactions energy: -11.510
where: short stacking energy: -12.866
Base-Backbone interact. energy: 0.991
local terms energy: -27.259329
where:
bonds (distance) C4'-P energy: -8.576
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -0.434
tors. eta vs tors. theta energy: 2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 2.500000
Total energy: -41.200918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.200918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.200918 (E_RNA)
where:
Base-Base interactions energy: -15.327
where: short stacking energy: -14.289
Base-Backbone interact. energy: -0.093
local terms energy: -25.781215
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -1.271
flat angles P-C4'-P energy: -0.509
tors. eta vs tors. theta energy: 4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 474
Temperature: 2.350000
Total energy: -36.991164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.991164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.991164 (E_RNA)
where:
Base-Base interactions energy: -9.342
where: short stacking energy: -5.341
Base-Backbone interact. energy: 0.273
local terms energy: -27.922536
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -6.843
flat angles P-C4'-P energy: -1.809
tors. eta vs tors. theta energy: 8.464
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: 2, replica: 4
=====================================
Write number: 474
Temperature: 2.366667
Total energy: -34.740323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.740323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.740323 (E_RNA)
where:
Base-Base interactions energy: -2.897
where: short stacking energy: -2.973
Base-Backbone interact. energy: -0.191
local terms energy: -31.652001
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: 7.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 2.383333
Total energy: -39.241793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.241793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.241793 (E_RNA)
where:
Base-Base interactions energy: -7.006
where: short stacking energy: -5.921
Base-Backbone interact. energy: -0.160
local terms energy: -32.075375
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -0.810
tors. eta vs tors. theta energy: 8.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 474
Temperature: 2.400000
Total energy: -43.480378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.480378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.480378 (E_RNA)
where:
Base-Base interactions energy: -5.378
where: short stacking energy: -5.378
Base-Backbone interact. energy: -0.081
local terms energy: -38.020980
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -7.465
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: 5, replica: 1
=====================================
Write number: 474
Temperature: 2.416667
Total energy: -37.661512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.661512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.661512 (E_RNA)
where:
Base-Base interactions energy: -8.610
where: short stacking energy: -5.856
Base-Backbone interact. energy: -0.153
local terms energy: -28.897854
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -1.187
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: 6, replica: 9
=====================================
Write number: 474
Temperature: 2.433333
Total energy: -37.787002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.787002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.787002 (E_RNA)
where:
Base-Base interactions energy: -3.748
where: short stacking energy: -2.789
Base-Backbone interact. energy: 0.164
local terms energy: -34.202710
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -8.532
flat angles P-C4'-P energy: -5.167
tors. eta vs tors. theta energy: 7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 474
Temperature: 2.450000
Total energy: -35.964531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.964531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.964531 (E_RNA)
where:
Base-Base interactions energy: -8.809
where: short stacking energy: -7.656
Base-Backbone interact. energy: 1.798
local terms energy: -28.953540
where:
bonds (distance) C4'-P energy: -9.987
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: 1.546
tors. eta vs tors. theta energy: 10.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 474
Temperature: 2.466667
Total energy: -41.949523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.949523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.949523 (E_RNA)
where:
Base-Base interactions energy: -12.234
where: short stacking energy: -10.233
Base-Backbone interact. energy: -0.126
local terms energy: -29.589471
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -6.386
flat angles P-C4'-P energy: -2.862
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: 9, replica: 10
=====================================
Write number: 474
Temperature: 2.483333
Total energy: -34.076019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.076019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.076019 (E_RNA)
where:
Base-Base interactions energy: -4.059
where: short stacking energy: -4.059
Base-Backbone interact. energy: 2.170
local terms energy: -32.187007
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -5.917
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: 5.831
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: 8
=====================================
Write number: 474
Temperature: 2.500000
Total energy: -31.212870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.212870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.212870 (E_RNA)
where:
Base-Base interactions energy: -10.612
where: short stacking energy: -7.297
Base-Backbone interact. energy: -0.172
local terms energy: -20.428922
where:
bonds (distance) C4'-P energy: -0.871
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -7.463
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: 9.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 475
Temperature: 2.350000
Total energy: -35.345091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.345091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.345091 (E_RNA)
where:
Base-Base interactions energy: -10.474
where: short stacking energy: -10.474
Base-Backbone interact. energy: 1.821
local terms energy: -26.691827
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -1.125
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: 9.027
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: 3
=====================================
Write number: 475
Temperature: 2.366667
Total energy: -42.746155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.746155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.746155 (E_RNA)
where:
Base-Base interactions energy: -7.177
where: short stacking energy: -5.082
Base-Backbone interact. energy: 2.093
local terms energy: -37.662336
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: 0.416
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: 5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 475
Temperature: 2.383333
Total energy: -47.853650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.853650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.853650 (E_RNA)
where:
Base-Base interactions energy: -9.233
where: short stacking energy: -7.669
Base-Backbone interact. energy: -1.267
local terms energy: -37.354074
where:
bonds (distance) C4'-P energy: -6.544
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: 3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 475
Temperature: 2.400000
Total energy: -38.298638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.298638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.298638 (E_RNA)
where:
Base-Base interactions energy: -16.170
where: short stacking energy: -11.291
Base-Backbone interact. energy: 1.130
local terms energy: -23.258281
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -4.000
flat angles P-C4'-P energy: 2.489
tors. eta vs tors. theta energy: 3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 2.416667
Total energy: -33.834133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.834133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.834133 (E_RNA)
where:
Base-Base interactions energy: -2.735
where: short stacking energy: -2.735
Base-Backbone interact. energy: -0.126
local terms energy: -30.973357
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -9.331
flat angles C4'-P-C4' energy: -7.173
flat angles P-C4'-P energy: -5.983
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: 6, replica: 2
=====================================
Write number: 475
Temperature: 2.433333
Total energy: -39.727384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.727384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.727384 (E_RNA)
where:
Base-Base interactions energy: -9.618
where: short stacking energy: -11.730
Base-Backbone interact. energy: -0.030
local terms energy: -30.079202
where:
bonds (distance) C4'-P energy: -5.771
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -0.538
tors. eta vs tors. theta energy: 3.049
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: 475
Temperature: 2.450000
Total energy: -37.965259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.965259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.965259 (E_RNA)
where:
Base-Base interactions energy: -5.867
where: short stacking energy: -2.169
Base-Backbone interact. energy: -0.157
local terms energy: -31.940771
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -7.848
flat angles P-C4'-P energy: -2.040
tors. eta vs tors. theta energy: 8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 475
Temperature: 2.466667
Total energy: -36.539357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.539357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.539357 (E_RNA)
where:
Base-Base interactions energy: -3.749
where: short stacking energy: -3.749
Base-Backbone interact. energy: -0.456
local terms energy: -32.333449
where:
bonds (distance) C4'-P energy: -8.399
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -6.572
flat angles P-C4'-P energy: -4.713
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: 9, replica: 6
=====================================
Write number: 475
Temperature: 2.483333
Total energy: -36.894808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.894808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.894808 (E_RNA)
where:
Base-Base interactions energy: -8.102
where: short stacking energy: -7.224
Base-Backbone interact. energy: -0.231
local terms energy: -28.561838
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -3.666
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: 8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 475
Temperature: 2.500000
Total energy: -33.373571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.373571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.373571 (E_RNA)
where:
Base-Base interactions energy: -8.123
where: short stacking energy: -7.223
Base-Backbone interact. energy: 0.651
local terms energy: -25.901528
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: 1.814
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: 6.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 476
Temperature: 2.350000
Total energy: -39.621675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.621675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.621675 (E_RNA)
where:
Base-Base interactions energy: -8.797
where: short stacking energy: -7.724
Base-Backbone interact. energy: 0.160
local terms energy: -30.985207
where:
bonds (distance) C4'-P energy: -4.253
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -7.410
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: 6.492
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: 7
=====================================
Write number: 476
Temperature: 2.366667
Total energy: -40.911674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.911674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.911674 (E_RNA)
where:
Base-Base interactions energy: -13.029
where: short stacking energy: -11.837
Base-Backbone interact. energy: 3.141
local terms energy: -31.024244
where:
bonds (distance) C4'-P energy: -5.567
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: 4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 476
Temperature: 2.383333
Total energy: -36.904399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.904399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.904399 (E_RNA)
where:
Base-Base interactions energy: -10.956
where: short stacking energy: -5.062
Base-Backbone interact. energy: -0.220
local terms energy: -25.729015
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -7.989
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: 9.979
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: 4
=====================================
Write number: 476
Temperature: 2.400000
Total energy: -33.615078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.615078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.615078 (E_RNA)
where:
Base-Base interactions energy: -5.053
where: short stacking energy: -5.177
Base-Backbone interact. energy: 0.398
local terms energy: -28.960555
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -1.511
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: 10.430
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: 476
Temperature: 2.416667
Total energy: -39.445490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.445490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.445490 (E_RNA)
where:
Base-Base interactions energy: -14.484
where: short stacking energy: -11.213
Base-Backbone interact. energy: -0.311
local terms energy: -24.650941
where:
bonds (distance) C4'-P energy: -2.963
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -3.108
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: 6, replica: 5
=====================================
Write number: 476
Temperature: 2.433333
Total energy: -36.530887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.530887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.530887 (E_RNA)
where:
Base-Base interactions energy: -8.848
where: short stacking energy: -6.513
Base-Backbone interact. energy: -0.386
local terms energy: -27.297709
where:
bonds (distance) C4'-P energy: -5.065
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -9.498
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: 10.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 476
Temperature: 2.450000
Total energy: -35.712917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.712917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.712917 (E_RNA)
where:
Base-Base interactions energy: -12.632
where: short stacking energy: -12.632
Base-Backbone interact. energy: -0.050
local terms energy: -23.030656
where:
bonds (distance) C4'-P energy: -6.832
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -4.876
flat angles P-C4'-P energy: -3.230
tors. eta vs tors. theta energy: 6.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 476
Temperature: 2.466667
Total energy: -34.613017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.613017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.613017 (E_RNA)
where:
Base-Base interactions energy: -3.988
where: short stacking energy: -3.988
Base-Backbone interact. energy: -1.151
local terms energy: -29.473677
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -9.496
flat angles P-C4'-P energy: 0.903
tors. eta vs tors. theta energy: 9.861
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: 8
=====================================
Write number: 476
Temperature: 2.483333
Total energy: -35.316866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.316866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.316866 (E_RNA)
where:
Base-Base interactions energy: -4.322
where: short stacking energy: -3.642
Base-Backbone interact. energy: -0.218
local terms energy: -30.776817
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -4.236
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: 6.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 2.500000
Total energy: -32.646456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.646456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.646456 (E_RNA)
where:
Base-Base interactions energy: -8.188
where: short stacking energy: -6.896
Base-Backbone interact. energy: 0.077
local terms energy: -24.535909
where:
bonds (distance) C4'-P energy: -3.981
bonds (distance) P-C4' energy: -9.324
flat angles C4'-P-C4' energy: -8.063
flat angles P-C4'-P energy: -9.275
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: 1, replica: 3
=====================================
Write number: 477
Temperature: 2.350000
Total energy: -39.632986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.632986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.632986 (E_RNA)
where:
Base-Base interactions energy: -4.836
where: short stacking energy: -4.683
Base-Backbone interact. energy: 0.184
local terms energy: -34.981373
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -3.306
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: 5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 477
Temperature: 2.366667
Total energy: -42.060817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.060817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.060817 (E_RNA)
where:
Base-Base interactions energy: -7.409
where: short stacking energy: -6.968
Base-Backbone interact. energy: -0.253
local terms energy: -34.398386
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -6.903
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: 3, replica: 7
=====================================
Write number: 477
Temperature: 2.383333
Total energy: -34.526496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.526496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.526496 (E_RNA)
where:
Base-Base interactions energy: -5.991
where: short stacking energy: -6.344
Base-Backbone interact. energy: 0.495
local terms energy: -29.030758
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: 0.509
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: 4, replica: 2
=====================================
Write number: 477
Temperature: 2.400000
Total energy: -41.015042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.015042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.015042 (E_RNA)
where:
Base-Base interactions energy: -1.288
where: short stacking energy: -0.372
Base-Backbone interact. energy: 0.829
local terms energy: -40.556297
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -10.741
flat angles C4'-P-C4' energy: -8.804
flat angles P-C4'-P energy: -11.111
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: 5, replica: 4
=====================================
Write number: 477
Temperature: 2.416667
Total energy: -41.443957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.443957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.443957 (E_RNA)
where:
Base-Base interactions energy: -7.247
where: short stacking energy: -6.845
Base-Backbone interact. energy: 2.085
local terms energy: -36.282216
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -6.319
flat angles P-C4'-P energy: -1.833
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: 6, replica: 10
=====================================
Write number: 477
Temperature: 2.433333
Total energy: -36.631186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.631186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.631186 (E_RNA)
where:
Base-Base interactions energy: -1.068
where: short stacking energy: 0.580
Base-Backbone interact. energy: 0.588
local terms energy: -36.151744
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -7.325
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: 10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 477
Temperature: 2.450000
Total energy: -38.178097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.178097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.178097 (E_RNA)
where:
Base-Base interactions energy: -5.643
where: short stacking energy: -5.643
Base-Backbone interact. energy: -0.160
local terms energy: -32.374978
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -4.845
flat angles P-C4'-P energy: -1.095
tors. eta vs tors. theta energy: 6.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 477
Temperature: 2.466667
Total energy: -38.296889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.296889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.296889 (E_RNA)
where:
Base-Base interactions energy: -4.094
where: short stacking energy: -0.510
Base-Backbone interact. energy: 0.043
local terms energy: -34.246293
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -8.508
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: 6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 477
Temperature: 2.483333
Total energy: -36.934043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.934043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.934043 (E_RNA)
where:
Base-Base interactions energy: -4.743
where: short stacking energy: -2.793
Base-Backbone interact. energy: -0.548
local terms energy: -31.642862
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -7.946
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: 10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 477
Temperature: 2.500000
Total energy: -43.797868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.797868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.797868 (E_RNA)
where:
Base-Base interactions energy: -10.454
where: short stacking energy: -10.454
Base-Backbone interact. energy: 1.704
local terms energy: -35.047781
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: -3.927
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: 1, replica: 1
=====================================
Write number: 478
Temperature: 2.350000
Total energy: -38.897751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.897751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.897751 (E_RNA)
where:
Base-Base interactions energy: -6.217
where: short stacking energy: -1.642
Base-Backbone interact. energy: -0.380
local terms energy: -32.300313
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -2.228
tors. eta vs tors. theta energy: 10.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 478
Temperature: 2.366667
Total energy: -43.992126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.992126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.992126 (E_RNA)
where:
Base-Base interactions energy: -5.848
where: short stacking energy: -5.224
Base-Backbone interact. energy: 0.194
local terms energy: -38.337858
where:
bonds (distance) C4'-P energy: -7.439
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: 3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 478
Temperature: 2.383333
Total energy: -37.723287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.723287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.723287 (E_RNA)
where:
Base-Base interactions energy: -2.246
where: short stacking energy: -2.246
Base-Backbone interact. energy: -0.260
local terms energy: -35.218239
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -1.618
tors. eta vs tors. theta energy: 3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 2.400000
Total energy: -34.325665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.325665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.325665 (E_RNA)
where:
Base-Base interactions energy: -6.180
where: short stacking energy: -4.735
Base-Backbone interact. energy: -0.275
local terms energy: -27.869836
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -2.691
flat angles P-C4'-P energy: -0.811
tors. eta vs tors. theta energy: 12.041
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: 10
=====================================
Write number: 478
Temperature: 2.416667
Total energy: -38.906341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.906341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.906341 (E_RNA)
where:
Base-Base interactions energy: -11.006
where: short stacking energy: -11.006
Base-Backbone interact. energy: -0.052
local terms energy: -27.847947
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -6.533
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: 7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 478
Temperature: 2.433333
Total energy: -40.501621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.501621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.501621 (E_RNA)
where:
Base-Base interactions energy: -14.715
where: short stacking energy: -14.645
Base-Backbone interact. energy: -0.394
local terms energy: -25.392706
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -3.799
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -2.459
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: 7, replica: 8
=====================================
Write number: 478
Temperature: 2.450000
Total energy: -40.019201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.019201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.019201 (E_RNA)
where:
Base-Base interactions energy: -8.196
where: short stacking energy: -8.305
Base-Backbone interact. energy: 1.231
local terms energy: -33.053712
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -3.205
tors. eta vs tors. theta energy: 9.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 478
Temperature: 2.466667
Total energy: -37.742575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.742575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.742575 (E_RNA)
where:
Base-Base interactions energy: -11.629
where: short stacking energy: -10.600
Base-Backbone interact. energy: -0.216
local terms energy: -25.897088
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -6.404
flat angles P-C4'-P energy: -0.162
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: 9, replica: 6
=====================================
Write number: 478
Temperature: 2.483333
Total energy: -38.629698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.629698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.629698 (E_RNA)
where:
Base-Base interactions energy: -5.594
where: short stacking energy: -1.525
Base-Backbone interact. energy: -0.457
local terms energy: -32.578802
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -9.574
flat angles C4'-P-C4' energy: -3.661
flat angles P-C4'-P energy: -7.040
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: 10, replica: 9
=====================================
Write number: 478
Temperature: 2.500000
Total energy: -31.925895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.925895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.925895 (E_RNA)
where:
Base-Base interactions energy: -5.657
where: short stacking energy: -5.128
Base-Backbone interact. energy: -0.177
local terms energy: -26.091987
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -9.856
flat angles C4'-P-C4' energy: -3.702
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: 3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 479
Temperature: 2.350000
Total energy: -38.058211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.058211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.058211 (E_RNA)
where:
Base-Base interactions energy: -3.324
where: short stacking energy: -4.408
Base-Backbone interact. energy: -0.275
local terms energy: -34.458345
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: 12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 479
Temperature: 2.366667
Total energy: -38.811901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.811901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.811901 (E_RNA)
where:
Base-Base interactions energy: -6.462
where: short stacking energy: -5.433
Base-Backbone interact. energy: -0.048
local terms energy: -32.301425
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -8.428
flat angles C4'-P-C4' energy: -8.143
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: 8.835
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: 3
=====================================
Write number: 479
Temperature: 2.383333
Total energy: -43.404228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.404228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.404228 (E_RNA)
where:
Base-Base interactions energy: -14.188
where: short stacking energy: -12.248
Base-Backbone interact. energy: -0.150
local terms energy: -29.066306
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -6.512
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -2.748
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: 4, replica: 10
=====================================
Write number: 479
Temperature: 2.400000
Total energy: -35.980593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.980593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.980593 (E_RNA)
where:
Base-Base interactions energy: -11.408
where: short stacking energy: -7.136
Base-Backbone interact. energy: 2.318
local terms energy: -26.890710
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -4.253
flat angles P-C4'-P energy: -0.323
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: 5, replica: 7
=====================================
Write number: 479
Temperature: 2.416667
Total energy: -32.531711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.531711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.531711 (E_RNA)
where:
Base-Base interactions energy: -4.747
where: short stacking energy: -0.275
Base-Backbone interact. energy: -0.350
local terms energy: -27.434653
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -5.885
flat angles P-C4'-P energy: -5.129
tors. eta vs tors. theta energy: 11.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 479
Temperature: 2.433333
Total energy: -42.447716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.447716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.447716 (E_RNA)
where:
Base-Base interactions energy: -0.079
where: short stacking energy: -0.079
Base-Backbone interact. energy: -0.140
local terms energy: -42.228839
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -6.397
flat angles P-C4'-P energy: -4.774
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: 7, replica: 4
=====================================
Write number: 479
Temperature: 2.450000
Total energy: -32.973275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.973275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.973275 (E_RNA)
where:
Base-Base interactions energy: -10.202
where: short stacking energy: -10.202
Base-Backbone interact. energy: -0.428
local terms energy: -22.343361
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -5.456
flat angles P-C4'-P energy: -3.059
tors. eta vs tors. theta energy: 8.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 479
Temperature: 2.466667
Total energy: -33.202376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.202376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.202376 (E_RNA)
where:
Base-Base interactions energy: 0.479
where: short stacking energy: -1.021
Base-Backbone interact. energy: -0.611
local terms energy: -33.070349
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -4.046
tors. eta vs tors. theta energy: 5.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 479
Temperature: 2.483333
Total energy: -43.515112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.515112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.515112 (E_RNA)
where:
Base-Base interactions energy: -8.576
where: short stacking energy: -9.606
Base-Backbone interact. energy: -0.258
local terms energy: -34.681799
where:
bonds (distance) C4'-P energy: -4.266
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: 4.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 479
Temperature: 2.500000
Total energy: -37.970536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.970536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.970536 (E_RNA)
where:
Base-Base interactions energy: -3.379
where: short stacking energy: -3.379
Base-Backbone interact. energy: -0.148
local terms energy: -34.443568
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -9.981
flat angles C4'-P-C4' energy: -7.192
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: 7.017
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: 480
Temperature: 2.350000
Total energy: -40.389233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.389233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.389233 (E_RNA)
where:
Base-Base interactions energy: -5.306
where: short stacking energy: -5.306
Base-Backbone interact. energy: 0.155
local terms energy: -35.238472
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -5.729
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: 8.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 480
Temperature: 2.366667
Total energy: -36.400839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.400839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.400839 (E_RNA)
where:
Base-Base interactions energy: -17.424
where: short stacking energy: -17.424
Base-Backbone interact. energy: -0.181
local terms energy: -18.795975
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -3.247
flat angles C4'-P-C4' energy: -2.487
flat angles P-C4'-P energy: -7.283
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: 3, replica: 10
=====================================
Write number: 480
Temperature: 2.383333
Total energy: -40.501431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.501431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.501431 (E_RNA)
where:
Base-Base interactions energy: -17.360
where: short stacking energy: -10.646
Base-Backbone interact. energy: -0.147
local terms energy: -22.994543
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -6.446
flat angles C4'-P-C4' energy: -6.793
flat angles P-C4'-P energy: -2.723
tors. eta vs tors. theta energy: 6.184
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: 3
=====================================
Write number: 480
Temperature: 2.400000
Total energy: -34.756012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.756012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.756012 (E_RNA)
where:
Base-Base interactions energy: -13.753
where: short stacking energy: -9.397
Base-Backbone interact. energy: 3.295
local terms energy: -24.298011
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -10.253
flat angles P-C4'-P energy: 3.349
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: 5, replica: 8
=====================================
Write number: 480
Temperature: 2.416667
Total energy: -38.501305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.501305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.501305 (E_RNA)
where:
Base-Base interactions energy: -12.688
where: short stacking energy: -11.955
Base-Backbone interact. energy: -0.625
local terms energy: -25.188282
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -0.367
flat angles P-C4'-P energy: -2.950
tors. eta vs tors. theta energy: 7.677
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: 6, replica: 7
=====================================
Write number: 480
Temperature: 2.433333
Total energy: -34.950010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.950010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.950010 (E_RNA)
where:
Base-Base interactions energy: -7.205
where: short stacking energy: -7.605
Base-Backbone interact. energy: -0.402
local terms energy: -27.343063
where:
bonds (distance) C4'-P energy: -5.388
bonds (distance) P-C4' energy: -5.145
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -9.868
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: 6
=====================================
Write number: 480
Temperature: 2.450000
Total energy: -41.423928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.423928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.423928 (E_RNA)
where:
Base-Base interactions energy: -4.353
where: short stacking energy: -4.353
Base-Backbone interact. energy: -0.021
local terms energy: -37.049468
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -7.306
flat angles P-C4'-P energy: -0.868
tors. eta vs tors. theta energy: 3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 480
Temperature: 2.466667
Total energy: -32.777893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.777893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.777893 (E_RNA)
where:
Base-Base interactions energy: -6.218
where: short stacking energy: -6.020
Base-Backbone interact. energy: -0.474
local terms energy: -26.085266
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -4.871
flat angles P-C4'-P energy: 1.780
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: 9, replica: 9
=====================================
Write number: 480
Temperature: 2.483333
Total energy: -38.208453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.208453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.208453 (E_RNA)
where:
Base-Base interactions energy: -5.812
where: short stacking energy: -5.315
Base-Backbone interact. energy: -0.855
local terms energy: -31.541524
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: 0.514
tors. eta vs tors. theta energy: 6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 480
Temperature: 2.500000
Total energy: -32.966846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.966846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.966846 (E_RNA)
where:
Base-Base interactions energy: -4.566
where: short stacking energy: -4.374
Base-Backbone interact. energy: -0.469
local terms energy: -27.931991
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -5.225
flat angles P-C4'-P energy: -0.548
tors. eta vs tors. theta energy: 5.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 2.350000
Total energy: -36.231988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.231988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.231988 (E_RNA)
where:
Base-Base interactions energy: -2.500
where: short stacking energy: -2.127
Base-Backbone interact. energy: 2.945
local terms energy: -36.676866
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -4.159
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: 2, replica: 10
=====================================
Write number: 481
Temperature: 2.366667
Total energy: -41.638552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.638552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.638552 (E_RNA)
where:
Base-Base interactions energy: -7.926
where: short stacking energy: -5.868
Base-Backbone interact. energy: -0.273
local terms energy: -33.439662
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -5.397
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: 6.974
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: 1
=====================================
Write number: 481
Temperature: 2.383333
Total energy: -36.333962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.333962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.333962 (E_RNA)
where:
Base-Base interactions energy: -4.009
where: short stacking energy: -3.026
Base-Backbone interact. energy: 1.149
local terms energy: -33.474327
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -7.267
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: 5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 481
Temperature: 2.400000
Total energy: -40.087242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.087242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.087242 (E_RNA)
where:
Base-Base interactions energy: -12.357
where: short stacking energy: -11.267
Base-Backbone interact. energy: -0.255
local terms energy: -27.474705
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -5.180
flat angles P-C4'-P energy: 0.614
tors. eta vs tors. theta energy: 6.739
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: 5, replica: 3
=====================================
Write number: 481
Temperature: 2.416667
Total energy: -34.713522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.713522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.713522 (E_RNA)
where:
Base-Base interactions energy: -12.583
where: short stacking energy: -10.958
Base-Backbone interact. energy: 0.124
local terms energy: -22.254693
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -6.679
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -0.925
tors. eta vs tors. theta energy: 5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 481
Temperature: 2.433333
Total energy: -35.602558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.602558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.602558 (E_RNA)
where:
Base-Base interactions energy: -3.855
where: short stacking energy: -2.428
Base-Backbone interact. energy: -0.093
local terms energy: -31.654778
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: 8.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 481
Temperature: 2.450000
Total energy: -34.823593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.823593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.823593 (E_RNA)
where:
Base-Base interactions energy: -12.370
where: short stacking energy: -11.536
Base-Backbone interact. energy: -0.316
local terms energy: -22.137513
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -9.139
flat angles C4'-P-C4' energy: -8.291
flat angles P-C4'-P energy: -0.496
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: 8, replica: 9
=====================================
Write number: 481
Temperature: 2.466667
Total energy: -36.813692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.813692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.813692 (E_RNA)
where:
Base-Base interactions energy: -2.976
where: short stacking energy: -0.097
Base-Backbone interact. energy: -0.341
local terms energy: -33.496315
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -8.248
flat angles P-C4'-P energy: -0.531
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: 9, replica: 4
=====================================
Write number: 481
Temperature: 2.483333
Total energy: -34.637660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.637660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.637660 (E_RNA)
where:
Base-Base interactions energy: -8.686
where: short stacking energy: -6.771
Base-Backbone interact. energy: -0.982
local terms energy: -24.970201
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -9.983
flat angles C4'-P-C4' energy: -6.068
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: 8.563
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: 10, replica: 5
=====================================
Write number: 481
Temperature: 2.500000
Total energy: -43.447697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.447697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.447697 (E_RNA)
where:
Base-Base interactions energy: -10.496
where: short stacking energy: -10.896
Base-Backbone interact. energy: -0.645
local terms energy: -32.307031
where:
bonds (distance) C4'-P energy: -9.855
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -9.062
flat angles P-C4'-P energy: -6.522
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: 1, replica: 10
=====================================
Write number: 482
Temperature: 2.350000
Total energy: -43.075477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.075477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.075477 (E_RNA)
where:
Base-Base interactions energy: -8.405
where: short stacking energy: -6.879
Base-Backbone interact. energy: -0.538
local terms energy: -34.133298
where:
bonds (distance) C4'-P energy: -1.036
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -9.657
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: 2, replica: 2
=====================================
Write number: 482
Temperature: 2.366667
Total energy: -34.957410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.957410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.957410 (E_RNA)
where:
Base-Base interactions energy: -3.799
where: short stacking energy: -3.799
Base-Backbone interact. energy: -0.573
local terms energy: -30.585055
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: 2.129
tors. eta vs tors. theta energy: 7.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 482
Temperature: 2.383333
Total energy: -37.494690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.494690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.494690 (E_RNA)
where:
Base-Base interactions energy: -7.449
where: short stacking energy: -7.381
Base-Backbone interact. energy: -0.455
local terms energy: -29.590609
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -8.900
flat angles P-C4'-P energy: -4.315
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: 4, replica: 1
=====================================
Write number: 482
Temperature: 2.400000
Total energy: -41.041015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.041015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.041015 (E_RNA)
where:
Base-Base interactions energy: -7.403
where: short stacking energy: -7.403
Base-Backbone interact. energy: -0.298
local terms energy: -33.340079
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -4.406
flat angles P-C4'-P energy: -6.666
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: 5, replica: 6
=====================================
Write number: 482
Temperature: 2.416667
Total energy: -33.879034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.879034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.879034 (E_RNA)
where:
Base-Base interactions energy: -7.701
where: short stacking energy: -4.324
Base-Backbone interact. energy: 3.200
local terms energy: -29.377758
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -4.221
flat angles P-C4'-P energy: -2.831
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: 6, replica: 3
=====================================
Write number: 482
Temperature: 2.433333
Total energy: -40.603259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.603259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.603259 (E_RNA)
where:
Base-Base interactions energy: -6.356
where: short stacking energy: -5.531
Base-Backbone interact. energy: 0.011
local terms energy: -34.257920
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -6.208
flat angles P-C4'-P energy: -5.416
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: 7, replica: 9
=====================================
Write number: 482
Temperature: 2.450000
Total energy: -36.323036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.323036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.323036 (E_RNA)
where:
Base-Base interactions energy: -4.148
where: short stacking energy: -2.779
Base-Backbone interact. energy: -0.132
local terms energy: -32.043192
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -6.192
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: 8.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 482
Temperature: 2.466667
Total energy: -32.137757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.137757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.137757 (E_RNA)
where:
Base-Base interactions energy: -1.504
where: short stacking energy: -5.685
Base-Backbone interact. energy: -0.405
local terms energy: -30.228284
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -8.721
flat angles P-C4'-P energy: -1.541
tors. eta vs tors. theta energy: 8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 482
Temperature: 2.483333
Total energy: -37.220726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.220726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.220726 (E_RNA)
where:
Base-Base interactions energy: -2.867
where: short stacking energy: 0.016
Base-Backbone interact. energy: -0.543
local terms energy: -33.809829
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -5.809
tors. eta vs tors. theta energy: 12.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 482
Temperature: 2.500000
Total energy: -41.126950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.126950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.126950 (E_RNA)
where:
Base-Base interactions energy: -1.197
where: short stacking energy: -0.594
Base-Backbone interact. energy: -0.386
local terms energy: -39.544420
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -3.551
tors. eta vs tors. theta energy: 7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 483
Temperature: 2.350000
Total energy: -41.480968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.480968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.480968 (E_RNA)
where:
Base-Base interactions energy: -11.455
where: short stacking energy: -9.795
Base-Backbone interact. energy: -0.200
local terms energy: -29.826535
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -6.345
flat angles P-C4'-P energy: -4.557
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: 2, replica: 8
=====================================
Write number: 483
Temperature: 2.366667
Total energy: -38.532212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.532212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.532212 (E_RNA)
where:
Base-Base interactions energy: -8.526
where: short stacking energy: -8.474
Base-Backbone interact. energy: -0.205
local terms energy: -29.800406
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -8.310
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: 13.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 483
Temperature: 2.383333
Total energy: -31.179058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.179058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.179058 (E_RNA)
where:
Base-Base interactions energy: -4.483
where: short stacking energy: -6.215
Base-Backbone interact. energy: -0.893
local terms energy: -25.802353
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -10.540
flat angles C4'-P-C4' energy: -3.985
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: 9.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 483
Temperature: 2.400000
Total energy: -36.430823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.430823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.430823 (E_RNA)
where:
Base-Base interactions energy: -1.746
where: short stacking energy: -0.341
Base-Backbone interact. energy: -0.603
local terms energy: -34.081982
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -3.974
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: 5, replica: 1
=====================================
Write number: 483
Temperature: 2.416667
Total energy: -40.859829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.859829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.859829 (E_RNA)
where:
Base-Base interactions energy: -16.079
where: short stacking energy: -15.508
Base-Backbone interact. energy: 0.016
local terms energy: -24.797627
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: 4.078
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: 2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 483
Temperature: 2.433333
Total energy: -35.790885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.790885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.790885 (E_RNA)
where:
Base-Base interactions energy: -9.940
where: short stacking energy: -5.551
Base-Backbone interact. energy: -0.023
local terms energy: -25.827927
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -2.771
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: 11.250
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: 9
=====================================
Write number: 483
Temperature: 2.450000
Total energy: -36.051491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.051491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.051491 (E_RNA)
where:
Base-Base interactions energy: -5.986
where: short stacking energy: -4.290
Base-Backbone interact. energy: -0.575
local terms energy: -29.490187
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -10.571
flat angles C4'-P-C4' energy: -4.150
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: 6.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 483
Temperature: 2.466667
Total energy: -42.275341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.275341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.275341 (E_RNA)
where:
Base-Base interactions energy: -7.253
where: short stacking energy: -4.702
Base-Backbone interact. energy: -0.079
local terms energy: -34.942959
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -9.071
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: 7.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 483
Temperature: 2.483333
Total energy: -33.574888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.574888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.574888 (E_RNA)
where:
Base-Base interactions energy: -3.884
where: short stacking energy: -3.005
Base-Backbone interact. energy: -0.084
local terms energy: -29.607293
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -8.171
flat angles P-C4'-P energy: 0.033
tors. eta vs tors. theta energy: 4.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 483
Temperature: 2.500000
Total energy: -35.260670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.260670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.260670 (E_RNA)
where:
Base-Base interactions energy: -8.852
where: short stacking energy: -5.946
Base-Backbone interact. energy: 0.992
local terms energy: -27.400785
where:
bonds (distance) C4'-P energy: -8.348
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -0.397
tors. eta vs tors. theta energy: 3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 484
Temperature: 2.350000
Total energy: -47.530924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.530924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.530924 (E_RNA)
where:
Base-Base interactions energy: -7.798
where: short stacking energy: -7.293
Base-Backbone interact. energy: -0.301
local terms energy: -39.431836
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -8.555
flat angles P-C4'-P energy: -4.983
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: 2, replica: 10
=====================================
Write number: 484
Temperature: 2.366667
Total energy: -43.537491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.537491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.537491 (E_RNA)
where:
Base-Base interactions energy: -11.237
where: short stacking energy: -10.298
Base-Backbone interact. energy: -0.229
local terms energy: -32.071674
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -7.742
flat angles P-C4'-P energy: -1.197
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: 3, replica: 6
=====================================
Write number: 484
Temperature: 2.383333
Total energy: -43.908241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.908241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.908241 (E_RNA)
where:
Base-Base interactions energy: -10.337
where: short stacking energy: -11.115
Base-Backbone interact. energy: -0.079
local terms energy: -33.491886
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -5.524
flat angles P-C4'-P energy: -1.279
tors. eta vs tors. theta energy: -1.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 2.400000
Total energy: -39.754485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.754485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.754485 (E_RNA)
where:
Base-Base interactions energy: -5.023
where: short stacking energy: -4.963
Base-Backbone interact. energy: -0.460
local terms energy: -34.272038
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -8.524
flat angles P-C4'-P energy: -5.720
tors. eta vs tors. theta energy: 8.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 484
Temperature: 2.416667
Total energy: -36.187050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.187050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.187050 (E_RNA)
where:
Base-Base interactions energy: -12.705
where: short stacking energy: -11.878
Base-Backbone interact. energy: -0.176
local terms energy: -23.306026
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -4.866
flat angles P-C4'-P energy: 2.087
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: 6, replica: 1
=====================================
Write number: 484
Temperature: 2.433333
Total energy: -33.316804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.316804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.316804 (E_RNA)
where:
Base-Base interactions energy: -10.860
where: short stacking energy: -9.073
Base-Backbone interact. energy: -0.142
local terms energy: -22.314527
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -5.836
flat angles P-C4'-P energy: -1.508
tors. eta vs tors. theta energy: 8.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 484
Temperature: 2.450000
Total energy: -38.970461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.970461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.970461 (E_RNA)
where:
Base-Base interactions energy: -13.097
where: short stacking energy: -11.677
Base-Backbone interact. energy: 2.116
local terms energy: -27.990054
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -2.668
flat angles C4'-P-C4' energy: -6.109
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: 0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 484
Temperature: 2.466667
Total energy: -36.561563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.561563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.561563 (E_RNA)
where:
Base-Base interactions energy: -10.073
where: short stacking energy: -8.996
Base-Backbone interact. energy: -0.736
local terms energy: -25.753119
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -8.049
flat angles C4'-P-C4' energy: -5.143
flat angles P-C4'-P energy: -4.187
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: 4
=====================================
Write number: 484
Temperature: 2.483333
Total energy: -46.997634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.997634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.997634 (E_RNA)
where:
Base-Base interactions energy: -3.936
where: short stacking energy: -3.342
Base-Backbone interact. energy: 0.424
local terms energy: -43.485496
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: 6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 484
Temperature: 2.500000
Total energy: -37.014035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.014035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.014035 (E_RNA)
where:
Base-Base interactions energy: -13.135
where: short stacking energy: -10.696
Base-Backbone interact. energy: 0.224
local terms energy: -24.103498
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -7.586
flat angles P-C4'-P energy: 1.267
tors. eta vs tors. theta energy: 9.557
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: 8
=====================================
Write number: 485
Temperature: 2.350000
Total energy: -43.342866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.342866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.342866 (E_RNA)
where:
Base-Base interactions energy: -6.943
where: short stacking energy: -6.943
Base-Backbone interact. energy: -0.520
local terms energy: -35.879512
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -10.450
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -5.229
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: 2, replica: 6
=====================================
Write number: 485
Temperature: 2.366667
Total energy: -37.602014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.602014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.602014 (E_RNA)
where:
Base-Base interactions energy: -7.695
where: short stacking energy: -7.066
Base-Backbone interact. energy: -0.232
local terms energy: -29.675046
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -3.199
tors. eta vs tors. theta energy: 12.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 485
Temperature: 2.383333
Total energy: -38.348512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.348512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.348512 (E_RNA)
where:
Base-Base interactions energy: 1.516
where: short stacking energy: 3.617
Base-Backbone interact. energy: -1.272
local terms energy: -38.592485
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: 12.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 485
Temperature: 2.400000
Total energy: -44.886711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.886711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.886711 (E_RNA)
where:
Base-Base interactions energy: -5.083
where: short stacking energy: -5.083
Base-Backbone interact. energy: -0.080
local terms energy: -39.724147
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -10.157
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: 5, replica: 2
=====================================
Write number: 485
Temperature: 2.416667
Total energy: -34.237967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.237967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.237967 (E_RNA)
where:
Base-Base interactions energy: -11.280
where: short stacking energy: -9.281
Base-Backbone interact. energy: -0.468
local terms energy: -22.489938
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: 0.884
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: 4.595
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: 6, replica: 5
=====================================
Write number: 485
Temperature: 2.433333
Total energy: -41.778395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.778395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.778395 (E_RNA)
where:
Base-Base interactions energy: -7.848
where: short stacking energy: -4.724
Base-Backbone interact. energy: -0.262
local terms energy: -33.668896
where:
bonds (distance) C4'-P energy: -19.592
bonds (distance) P-C4' energy: -6.533
flat angles C4'-P-C4' energy: -6.518
flat angles P-C4'-P energy: -3.492
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: 7, replica: 1
=====================================
Write number: 485
Temperature: 2.450000
Total energy: -41.121460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.121460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.121460 (E_RNA)
where:
Base-Base interactions energy: -10.153
where: short stacking energy: -9.712
Base-Backbone interact. energy: 0.788
local terms energy: -31.756507
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -4.266
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: 8.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 485
Temperature: 2.466667
Total energy: -38.213541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.213541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.213541 (E_RNA)
where:
Base-Base interactions energy: -10.181
where: short stacking energy: -10.181
Base-Backbone interact. energy: -0.239
local terms energy: -27.793535
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -0.566
tors. eta vs tors. theta energy: 11.441
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: 9
=====================================
Write number: 485
Temperature: 2.483333
Total energy: -40.132139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.132139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.132139 (E_RNA)
where:
Base-Base interactions energy: -4.676
where: short stacking energy: -2.579
Base-Backbone interact. energy: -0.005
local terms energy: -35.450637
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: 1.692
tors. eta vs tors. theta energy: 4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 485
Temperature: 2.500000
Total energy: -37.237537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.237537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.237537 (E_RNA)
where:
Base-Base interactions energy: -2.190
where: short stacking energy: -2.190
Base-Backbone interact. energy: -0.556
local terms energy: -34.491093
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -2.707
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: 1, replica: 6
=====================================
Write number: 486
Temperature: 2.350000
Total energy: -36.196026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.196026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.196026 (E_RNA)
where:
Base-Base interactions energy: -7.360
where: short stacking energy: -2.708
Base-Backbone interact. energy: -0.327
local terms energy: -28.508509
where:
bonds (distance) C4'-P energy: -8.691
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -5.687
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: 8.374
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: 8
=====================================
Write number: 486
Temperature: 2.366667
Total energy: -40.548343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.548343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.548343 (E_RNA)
where:
Base-Base interactions energy: 1.805
where: short stacking energy: 2.234
Base-Backbone interact. energy: 2.689
local terms energy: -45.042353
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -11.193
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: 3, replica: 3
=====================================
Write number: 486
Temperature: 2.383333
Total energy: -35.983902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.983902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.983902 (E_RNA)
where:
Base-Base interactions energy: -5.012
where: short stacking energy: -5.012
Base-Backbone interact. energy: 4.742
local terms energy: -35.714383
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: 5.315
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: 4, replica: 10
=====================================
Write number: 486
Temperature: 2.400000
Total energy: -35.879828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.879828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.879828 (E_RNA)
where:
Base-Base interactions energy: -9.658
where: short stacking energy: -8.046
Base-Backbone interact. energy: 0.995
local terms energy: -27.216839
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -8.595
flat angles P-C4'-P energy: 0.266
tors. eta vs tors. theta energy: 6.101
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: 5
=====================================
Write number: 486
Temperature: 2.416667
Total energy: -32.685169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.685169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.685169 (E_RNA)
where:
Base-Base interactions energy: -3.751
where: short stacking energy: -3.751
Base-Backbone interact. energy: -0.868
local terms energy: -28.066099
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -5.611
flat angles P-C4'-P energy: -2.549
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: 2
=====================================
Write number: 486
Temperature: 2.433333
Total energy: -37.992177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.992177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.992177 (E_RNA)
where:
Base-Base interactions energy: -12.898
where: short stacking energy: -11.838
Base-Backbone interact. energy: 2.781
local terms energy: -27.875826
where:
bonds (distance) C4'-P energy: -6.509
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -0.333
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: 7, replica: 4
=====================================
Write number: 486
Temperature: 2.450000
Total energy: -40.783205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.783205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.783205 (E_RNA)
where:
Base-Base interactions energy: -8.366
where: short stacking energy: -7.440
Base-Backbone interact. energy: -0.928
local terms energy: -31.488940
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -7.890
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: 9.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 2.466667
Total energy: -34.843689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.843689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.843689 (E_RNA)
where:
Base-Base interactions energy: -8.690
where: short stacking energy: -8.990
Base-Backbone interact. energy: 1.918
local terms energy: -28.072214
where:
bonds (distance) C4'-P energy: -6.480
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -8.847
flat angles P-C4'-P energy: -2.069
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: 9, replica: 7
=====================================
Write number: 486
Temperature: 2.483333
Total energy: -37.133043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.133043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.133043 (E_RNA)
where:
Base-Base interactions energy: -18.685
where: short stacking energy: -15.578
Base-Backbone interact. energy: -0.068
local terms energy: -18.379831
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -7.412
flat angles P-C4'-P energy: 10.920
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: 10, replica: 9
=====================================
Write number: 486
Temperature: 2.500000
Total energy: -42.466606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.466606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.466606 (E_RNA)
where:
Base-Base interactions energy: -10.583
where: short stacking energy: -9.346
Base-Backbone interact. energy: -0.230
local terms energy: -31.653248
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -6.992
flat angles P-C4'-P energy: -1.876
tors. eta vs tors. theta energy: 10.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 487
Temperature: 2.350000
Total energy: -39.655197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.655197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.655197 (E_RNA)
where:
Base-Base interactions energy: -6.081
where: short stacking energy: -5.886
Base-Backbone interact. energy: -0.178
local terms energy: -33.396226
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -8.678
flat angles P-C4'-P energy: 0.290
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: 2, replica: 3
=====================================
Write number: 487
Temperature: 2.366667
Total energy: -39.061911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.061911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.061911 (E_RNA)
where:
Base-Base interactions energy: -9.074
where: short stacking energy: -7.728
Base-Backbone interact. energy: -0.190
local terms energy: -29.797472
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -0.489
tors. eta vs tors. theta energy: 0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 487
Temperature: 2.383333
Total energy: -41.139604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.139604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.139604 (E_RNA)
where:
Base-Base interactions energy: -13.527
where: short stacking energy: -11.745
Base-Backbone interact. energy: 1.844
local terms energy: -29.457077
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -1.694
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: 4, replica: 5
=====================================
Write number: 487
Temperature: 2.400000
Total energy: -40.014821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.014821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.014821 (E_RNA)
where:
Base-Base interactions energy: -12.733
where: short stacking energy: -6.449
Base-Backbone interact. energy: -0.904
local terms energy: -26.378280
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -8.100
flat angles P-C4'-P energy: -2.700
tors. eta vs tors. theta energy: 8.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 487
Temperature: 2.416667
Total energy: -37.732510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.732510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.732510 (E_RNA)
where:
Base-Base interactions energy: -10.100
where: short stacking energy: -10.100
Base-Backbone interact. energy: -0.279
local terms energy: -27.353898
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -9.466
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: 10.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 487
Temperature: 2.433333
Total energy: -36.679284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.679284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.679284 (E_RNA)
where:
Base-Base interactions energy: -6.817
where: short stacking energy: -7.863
Base-Backbone interact. energy: -0.575
local terms energy: -29.287231
where:
bonds (distance) C4'-P energy: -8.856
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -7.068
flat angles P-C4'-P energy: -4.992
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: 7, replica: 2
=====================================
Write number: 487
Temperature: 2.450000
Total energy: -48.353791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.353791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.353791 (E_RNA)
where:
Base-Base interactions energy: -15.300
where: short stacking energy: -14.599
Base-Backbone interact. energy: -0.696
local terms energy: -32.357751
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -7.550
flat angles P-C4'-P energy: 0.961
tors. eta vs tors. theta energy: 4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 487
Temperature: 2.466667
Total energy: -34.799327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.799327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.799327 (E_RNA)
where:
Base-Base interactions energy: 0.136
where: short stacking energy: -1.266
Base-Backbone interact. energy: -0.019
local terms energy: -34.916723
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -9.565
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -2.986
tors. eta vs tors. theta energy: 9.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 487
Temperature: 2.483333
Total energy: -35.807828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.807828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.807828 (E_RNA)
where:
Base-Base interactions energy: -11.865
where: short stacking energy: -6.774
Base-Backbone interact. energy: 7.115
local terms energy: -31.057423
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -7.722
flat angles P-C4'-P energy: -4.696
tors. eta vs tors. theta energy: 8.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 487
Temperature: 2.500000
Total energy: -35.260948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.260948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.260948 (E_RNA)
where:
Base-Base interactions energy: -4.685
where: short stacking energy: -4.685
Base-Backbone interact. energy: -1.051
local terms energy: -29.524692
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -2.783
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: 8.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 488
Temperature: 2.350000
Total energy: -39.104239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.104239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.104239 (E_RNA)
where:
Base-Base interactions energy: -2.535
where: short stacking energy: -2.155
Base-Backbone interact. energy: 0.593
local terms energy: -37.162714
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -2.146
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: 2, replica: 6
=====================================
Write number: 488
Temperature: 2.366667
Total energy: -36.578950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.578950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.578950 (E_RNA)
where:
Base-Base interactions energy: -5.053
where: short stacking energy: -4.065
Base-Backbone interact. energy: 0.399
local terms energy: -31.925313
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -7.844
flat angles C4'-P-C4' energy: -6.168
flat angles P-C4'-P energy: -8.923
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: 3, replica: 5
=====================================
Write number: 488
Temperature: 2.383333
Total energy: -35.783098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.783098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.783098 (E_RNA)
where:
Base-Base interactions energy: -2.582
where: short stacking energy: -2.582
Base-Backbone interact. energy: -0.463
local terms energy: -32.737879
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -10.481
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -2.106
tors. eta vs tors. theta energy: 7.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 488
Temperature: 2.400000
Total energy: -36.494243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.494243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.494243 (E_RNA)
where:
Base-Base interactions energy: -2.968
where: short stacking energy: -2.968
Base-Backbone interact. energy: -0.219
local terms energy: -33.307470
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -5.611
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: 7.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 488
Temperature: 2.416667
Total energy: -36.667943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.667943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.667943 (E_RNA)
where:
Base-Base interactions energy: -3.213
where: short stacking energy: -3.213
Base-Backbone interact. energy: -0.877
local terms energy: -32.577520
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -2.911
tors. eta vs tors. theta energy: 10.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 488
Temperature: 2.433333
Total energy: -41.714135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.714135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.714135 (E_RNA)
where:
Base-Base interactions energy: -9.427
where: short stacking energy: -4.168
Base-Backbone interact. energy: -0.210
local terms energy: -32.077723
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -4.907
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: 4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 488
Temperature: 2.450000
Total energy: -36.851332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.851332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.851332 (E_RNA)
where:
Base-Base interactions energy: -5.180
where: short stacking energy: -7.895
Base-Backbone interact. energy: 3.885
local terms energy: -35.556930
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -9.606
flat angles P-C4'-P energy: -3.078
tors. eta vs tors. theta energy: 5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 488
Temperature: 2.466667
Total energy: -34.819647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.819647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.819647 (E_RNA)
where:
Base-Base interactions energy: -1.611
where: short stacking energy: -0.093
Base-Backbone interact. energy: -0.338
local terms energy: -32.870624
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: 12.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 488
Temperature: 2.483333
Total energy: -38.501009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.501009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.501009 (E_RNA)
where:
Base-Base interactions energy: -1.558
where: short stacking energy: -3.250
Base-Backbone interact. energy: 0.030
local terms energy: -36.973313
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -8.213
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: 2.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 488
Temperature: 2.500000
Total energy: -33.158252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.158252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.158252 (E_RNA)
where:
Base-Base interactions energy: -3.489
where: short stacking energy: -3.688
Base-Backbone interact. energy: -1.197
local terms energy: -28.472437
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -2.695
tors. eta vs tors. theta energy: 9.355
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: 1, replica: 3
=====================================
Write number: 489
Temperature: 2.350000
Total energy: -40.941237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.941237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.941237 (E_RNA)
where:
Base-Base interactions energy: -14.200
where: short stacking energy: -12.583
Base-Backbone interact. energy: -0.614
local terms energy: -26.127057
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -7.975
flat angles C4'-P-C4' energy: -3.495
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: 3.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 489
Temperature: 2.366667
Total energy: -45.109399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.109399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.109399 (E_RNA)
where:
Base-Base interactions energy: -8.698
where: short stacking energy: -8.328
Base-Backbone interact. energy: 0.005
local terms energy: -36.415743
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -7.671
flat angles P-C4'-P energy: -2.024
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: 3, replica: 6
=====================================
Write number: 489
Temperature: 2.383333
Total energy: -42.197112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.197112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.197112 (E_RNA)
where:
Base-Base interactions energy: -13.202
where: short stacking energy: -9.488
Base-Backbone interact. energy: -0.353
local terms energy: -28.641856
where:
bonds (distance) C4'-P energy: -3.395
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: 8.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 489
Temperature: 2.400000
Total energy: -43.526890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.526890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.526890 (E_RNA)
where:
Base-Base interactions energy: -5.898
where: short stacking energy: -5.538
Base-Backbone interact. energy: -0.186
local terms energy: -37.442627
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -5.146
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: 3.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 489
Temperature: 2.416667
Total energy: -49.890916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.890916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.890916 (E_RNA)
where:
Base-Base interactions energy: -8.135
where: short stacking energy: -7.628
Base-Backbone interact. energy: -0.630
local terms energy: -41.126145
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: 8.171
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: 7
=====================================
Write number: 489
Temperature: 2.433333
Total energy: -38.751190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.751190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.751190 (E_RNA)
where:
Base-Base interactions energy: -9.924
where: short stacking energy: -9.924
Base-Backbone interact. energy: 0.585
local terms energy: -29.411562
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -6.717
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -7.416
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: 7, replica: 10
=====================================
Write number: 489
Temperature: 2.450000
Total energy: -32.806638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.806638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.806638 (E_RNA)
where:
Base-Base interactions energy: -6.746
where: short stacking energy: -6.361
Base-Backbone interact. energy: -0.280
local terms energy: -25.780005
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -3.867
flat angles P-C4'-P energy: 0.536
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: 8, replica: 9
=====================================
Write number: 489
Temperature: 2.466667
Total energy: -34.463905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.463905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.463905 (E_RNA)
where:
Base-Base interactions energy: -9.213
where: short stacking energy: -5.720
Base-Backbone interact. energy: -0.549
local terms energy: -24.702464
where:
bonds (distance) C4'-P energy: -7.517
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -7.363
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: 7.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 489
Temperature: 2.483333
Total energy: -36.338832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.338832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.338832 (E_RNA)
where:
Base-Base interactions energy: 1.755
where: short stacking energy: 1.827
Base-Backbone interact. energy: -0.154
local terms energy: -37.939369
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: 8.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 489
Temperature: 2.500000
Total energy: -38.501914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.501914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.501914 (E_RNA)
where:
Base-Base interactions energy: -11.307
where: short stacking energy: -11.303
Base-Backbone interact. energy: 0.357
local terms energy: -27.552172
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -10.761
flat angles C4'-P-C4' energy: -9.805
flat angles P-C4'-P energy: -2.239
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: 1, replica: 5
=====================================
Write number: 490
Temperature: 2.350000
Total energy: -47.017174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.017174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.017174 (E_RNA)
where:
Base-Base interactions energy: -7.454
where: short stacking energy: -6.577
Base-Backbone interact. energy: -0.075
local terms energy: -39.488348
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -3.510
tors. eta vs tors. theta energy: 8.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 490
Temperature: 2.366667
Total energy: -42.389495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.389495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.389495 (E_RNA)
where:
Base-Base interactions energy: -2.374
where: short stacking energy: -0.929
Base-Backbone interact. energy: -0.280
local terms energy: -39.735397
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: 7.355
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: 4
=====================================
Write number: 490
Temperature: 2.383333
Total energy: -35.717714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.717714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.717714 (E_RNA)
where:
Base-Base interactions energy: -0.583
where: short stacking energy: -0.178
Base-Backbone interact. energy: -1.810
local terms energy: -33.324383
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -5.121
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: 7.204
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: 4, replica: 6
=====================================
Write number: 490
Temperature: 2.400000
Total energy: -40.986483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.986483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.986483 (E_RNA)
where:
Base-Base interactions energy: -5.634
where: short stacking energy: -4.665
Base-Backbone interact. energy: -0.324
local terms energy: -35.028014
where:
bonds (distance) C4'-P energy: -8.327
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: 7.291
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: 7
=====================================
Write number: 490
Temperature: 2.416667
Total energy: -33.500544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.500544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.500544 (E_RNA)
where:
Base-Base interactions energy: -8.885
where: short stacking energy: -8.111
Base-Backbone interact. energy: -0.468
local terms energy: -24.147525
where:
bonds (distance) C4'-P energy: -2.688
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -8.352
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: 5.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 490
Temperature: 2.433333
Total energy: -39.911131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.911131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.911131 (E_RNA)
where:
Base-Base interactions energy: -3.689
where: short stacking energy: -3.689
Base-Backbone interact. energy: 0.411
local terms energy: -36.632945
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -7.061
flat angles P-C4'-P energy: -7.652
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: 7, replica: 9
=====================================
Write number: 490
Temperature: 2.450000
Total energy: -34.613981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.613981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.613981 (E_RNA)
where:
Base-Base interactions energy: -7.439
where: short stacking energy: -7.125
Base-Backbone interact. energy: -1.509
local terms energy: -25.666132
where:
bonds (distance) C4'-P energy: -6.688
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -4.526
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: 7.442
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: 8, replica: 10
=====================================
Write number: 490
Temperature: 2.466667
Total energy: -35.693342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.693342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.693342 (E_RNA)
where:
Base-Base interactions energy: -6.395
where: short stacking energy: -6.395
Base-Backbone interact. energy: -0.149
local terms energy: -29.149342
where:
bonds (distance) C4'-P energy: -5.782
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -9.244
flat angles P-C4'-P energy: -4.723
tors. eta vs tors. theta energy: 6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 490
Temperature: 2.483333
Total energy: -34.049739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.049739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.049739 (E_RNA)
where:
Base-Base interactions energy: -5.821
where: short stacking energy: -4.566
Base-Backbone interact. energy: -0.232
local terms energy: -27.996750
where:
bonds (distance) C4'-P energy: -8.021
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -5.266
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: 9.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 490
Temperature: 2.500000
Total energy: -35.356617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.356617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.356617 (E_RNA)
where:
Base-Base interactions energy: -7.989
where: short stacking energy: -7.250
Base-Backbone interact. energy: 0.813
local terms energy: -28.179819
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -7.768
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: 1.218
tors. eta vs tors. theta energy: 1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 491
Temperature: 2.350000
Total energy: -43.857056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.857056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.857056 (E_RNA)
where:
Base-Base interactions energy: -4.859
where: short stacking energy: -4.859
Base-Backbone interact. energy: 0.580
local terms energy: -39.577639
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -10.198
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -7.447
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: 2, replica: 4
=====================================
Write number: 491
Temperature: 2.366667
Total energy: -43.298163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.298163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.298163 (E_RNA)
where:
Base-Base interactions energy: -5.767
where: short stacking energy: -6.667
Base-Backbone interact. energy: 0.089
local terms energy: -37.619676
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 491
Temperature: 2.383333
Total energy: -40.627177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.627177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.627177 (E_RNA)
where:
Base-Base interactions energy: -8.116
where: short stacking energy: -7.893
Base-Backbone interact. energy: 2.070
local terms energy: -34.581697
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -4.042
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: 5.766
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: 7
=====================================
Write number: 491
Temperature: 2.400000
Total energy: -41.236874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.236874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.236874 (E_RNA)
where:
Base-Base interactions energy: -8.959
where: short stacking energy: -8.747
Base-Backbone interact. energy: -0.082
local terms energy: -32.195890
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -1.685
tors. eta vs tors. theta energy: 12.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 491
Temperature: 2.416667
Total energy: -41.894127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.894127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.894127 (E_RNA)
where:
Base-Base interactions energy: -5.952
where: short stacking energy: -5.163
Base-Backbone interact. energy: -0.359
local terms energy: -35.583482
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -5.547
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: 6.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 491
Temperature: 2.433333
Total energy: -38.254984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.254984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.254984 (E_RNA)
where:
Base-Base interactions energy: -11.124
where: short stacking energy: -8.070
Base-Backbone interact. energy: -0.339
local terms energy: -26.792267
where:
bonds (distance) C4'-P energy: -5.352
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: 7.539
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: 491
Temperature: 2.450000
Total energy: -38.490035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.490035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.490035 (E_RNA)
where:
Base-Base interactions energy: -5.183
where: short stacking energy: -2.968
Base-Backbone interact. energy: -1.176
local terms energy: -32.131137
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -3.362
tors. eta vs tors. theta energy: 7.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 491
Temperature: 2.466667
Total energy: -34.707809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.707809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.707809 (E_RNA)
where:
Base-Base interactions energy: -3.457
where: short stacking energy: -2.221
Base-Backbone interact. energy: -0.058
local terms energy: -31.191960
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -7.835
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -0.605
tors. eta vs tors. theta energy: 6.223
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: 9, replica: 10
=====================================
Write number: 491
Temperature: 2.483333
Total energy: -37.326932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.326932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.326932 (E_RNA)
where:
Base-Base interactions energy: -0.751
where: short stacking energy: -0.751
Base-Backbone interact. energy: 1.186
local terms energy: -37.761455
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -9.533
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: 7.183
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: 2
=====================================
Write number: 491
Temperature: 2.500000
Total energy: -43.475464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.475464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.475464 (E_RNA)
where:
Base-Base interactions energy: -10.061
where: short stacking energy: -8.882
Base-Backbone interact. energy: -1.350
local terms energy: -32.064625
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: 9.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 2.350000
Total energy: -43.083886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.083886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.083886 (E_RNA)
where:
Base-Base interactions energy: -7.254
where: short stacking energy: -7.254
Base-Backbone interact. energy: -0.482
local terms energy: -35.347580
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -8.225
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: 5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 492
Temperature: 2.366667
Total energy: -43.114490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.114490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.114490 (E_RNA)
where:
Base-Base interactions energy: -7.143
where: short stacking energy: -4.821
Base-Backbone interact. energy: 2.821
local terms energy: -38.792964
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -4.472
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: 3, replica: 7
=====================================
Write number: 492
Temperature: 2.383333
Total energy: -40.513035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.513035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.513035 (E_RNA)
where:
Base-Base interactions energy: -19.157
where: short stacking energy: -14.322
Base-Backbone interact. energy: -0.326
local terms energy: -21.030633
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -9.180
flat angles C4'-P-C4' energy: -5.190
flat angles P-C4'-P energy: 1.446
tors. eta vs tors. theta energy: 7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 492
Temperature: 2.400000
Total energy: -40.538576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.538576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.538576 (E_RNA)
where:
Base-Base interactions energy: -9.078
where: short stacking energy: -9.185
Base-Backbone interact. energy: -0.475
local terms energy: -30.985765
where:
bonds (distance) C4'-P energy: -9.575
bonds (distance) P-C4' energy: -7.796
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -2.757
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: 5, replica: 9
=====================================
Write number: 492
Temperature: 2.416667
Total energy: -38.136790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.136790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.136790 (E_RNA)
where:
Base-Base interactions energy: -5.895
where: short stacking energy: -5.895
Base-Backbone interact. energy: -0.210
local terms energy: -32.031699
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -6.249
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: 6.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 492
Temperature: 2.433333
Total energy: -43.293528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.293528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.293528 (E_RNA)
where:
Base-Base interactions energy: -10.427
where: short stacking energy: -10.427
Base-Backbone interact. energy: 0.471
local terms energy: -33.337940
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -4.509
flat angles P-C4'-P energy: -3.415
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: 7, replica: 1
=====================================
Write number: 492
Temperature: 2.450000
Total energy: -34.380572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.380572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.380572 (E_RNA)
where:
Base-Base interactions energy: -7.394
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.584
local terms energy: -26.402875
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -0.891
flat angles P-C4'-P energy: -1.817
tors. eta vs tors. theta energy: 2.611
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: 8, replica: 8
=====================================
Write number: 492
Temperature: 2.466667
Total energy: -35.498105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.498105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.498105 (E_RNA)
where:
Base-Base interactions energy: -10.195
where: short stacking energy: -7.750
Base-Backbone interact. energy: -0.173
local terms energy: -25.130709
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -3.010
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: 5.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 492
Temperature: 2.483333
Total energy: -43.895285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.895285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.895285 (E_RNA)
where:
Base-Base interactions energy: -4.994
where: short stacking energy: -3.669
Base-Backbone interact. energy: -0.283
local terms energy: -38.618913
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: 10.051
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: 10
=====================================
Write number: 492
Temperature: 2.500000
Total energy: -38.849388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.849388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.849388 (E_RNA)
where:
Base-Base interactions energy: -10.200
where: short stacking energy: -10.200
Base-Backbone interact. energy: 1.517
local terms energy: -30.166028
where:
bonds (distance) C4'-P energy: -8.651
bonds (distance) P-C4' energy: -10.742
flat angles C4'-P-C4' energy: -8.052
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: 4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 493
Temperature: 2.350000
Total energy: -34.596660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.596660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.596660 (E_RNA)
where:
Base-Base interactions energy: -9.480
where: short stacking energy: -6.831
Base-Backbone interact. energy: -0.862
local terms energy: -24.254753
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -7.560
flat angles C4'-P-C4' energy: -6.455
flat angles P-C4'-P energy: -3.575
tors. eta vs tors. theta energy: 3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 493
Temperature: 2.366667
Total energy: -42.702389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.702389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.702389 (E_RNA)
where:
Base-Base interactions energy: -6.918
where: short stacking energy: -6.709
Base-Backbone interact. energy: -0.205
local terms energy: -35.579635
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -0.652
tors. eta vs tors. theta energy: 3.522
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: 3, replica: 5
=====================================
Write number: 493
Temperature: 2.383333
Total energy: -35.267047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.267047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.267047 (E_RNA)
where:
Base-Base interactions energy: -16.674
where: short stacking energy: -14.707
Base-Backbone interact. energy: 2.856
local terms energy: -21.449098
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -9.233
flat angles C4'-P-C4' energy: -0.968
flat angles P-C4'-P energy: -2.592
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: 4, replica: 9
=====================================
Write number: 493
Temperature: 2.400000
Total energy: -38.177379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.177379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.177379 (E_RNA)
where:
Base-Base interactions energy: -6.585
where: short stacking energy: -6.885
Base-Backbone interact. energy: -0.499
local terms energy: -31.093295
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -3.698
flat angles P-C4'-P energy: -3.010
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: 3
=====================================
Write number: 493
Temperature: 2.416667
Total energy: -39.327227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.327227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.327227 (E_RNA)
where:
Base-Base interactions energy: -8.833
where: short stacking energy: -6.437
Base-Backbone interact. energy: -0.390
local terms energy: -30.104009
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -4.660
tors. eta vs tors. theta energy: 11.050
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: 1
=====================================
Write number: 493
Temperature: 2.433333
Total energy: -39.842604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.842604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.842604 (E_RNA)
where:
Base-Base interactions energy: -3.668
where: short stacking energy: -3.626
Base-Backbone interact. energy: -0.851
local terms energy: -35.323025
where:
bonds (distance) C4'-P energy: -7.488
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -4.904
tors. eta vs tors. theta energy: 10.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 493
Temperature: 2.450000
Total energy: -40.107077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.107077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.107077 (E_RNA)
where:
Base-Base interactions energy: -8.757
where: short stacking energy: -6.699
Base-Backbone interact. energy: 1.550
local terms energy: -32.899666
where:
bonds (distance) C4'-P energy: -8.451
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: 6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 493
Temperature: 2.466667
Total energy: -38.763468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.763468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.763468 (E_RNA)
where:
Base-Base interactions energy: -11.174
where: short stacking energy: -10.817
Base-Backbone interact. energy: 3.411
local terms energy: -31.000612
where:
bonds (distance) C4'-P energy: -8.597
bonds (distance) P-C4' energy: -10.758
flat angles C4'-P-C4' energy: -5.806
flat angles P-C4'-P energy: -10.760
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: 9, replica: 8
=====================================
Write number: 493
Temperature: 2.483333
Total energy: -36.108953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.108953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.108953 (E_RNA)
where:
Base-Base interactions energy: -12.567
where: short stacking energy: -8.689
Base-Backbone interact. energy: 1.600
local terms energy: -25.141888
where:
bonds (distance) C4'-P energy: -8.589
bonds (distance) P-C4' energy: -9.766
flat angles C4'-P-C4' energy: -4.465
flat angles P-C4'-P energy: -3.144
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: 10, replica: 10
=====================================
Write number: 493
Temperature: 2.500000
Total energy: -41.351420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.351420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.351420 (E_RNA)
where:
Base-Base interactions energy: -5.915
where: short stacking energy: -3.908
Base-Backbone interact. energy: 1.301
local terms energy: -36.737394
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -2.077
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: 1, replica: 7
=====================================
Write number: 494
Temperature: 2.350000
Total energy: -35.215936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.215936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.215936 (E_RNA)
where:
Base-Base interactions energy: -2.584
where: short stacking energy: -1.446
Base-Backbone interact. energy: 1.354
local terms energy: -33.985964
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -2.711
tors. eta vs tors. theta energy: 7.452
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: 4
=====================================
Write number: 494
Temperature: 2.366667
Total energy: -42.835976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.835976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.835976 (E_RNA)
where:
Base-Base interactions energy: -8.446
where: short stacking energy: -5.550
Base-Backbone interact. energy: -0.227
local terms energy: -34.162975
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -7.150
flat angles C4'-P-C4' energy: -7.034
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: 2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 494
Temperature: 2.383333
Total energy: -36.557790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.557790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.557790 (E_RNA)
where:
Base-Base interactions energy: -7.315
where: short stacking energy: -6.561
Base-Backbone interact. energy: 3.096
local terms energy: -32.338441
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: 7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 494
Temperature: 2.400000
Total energy: -42.203410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.203410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.203410 (E_RNA)
where:
Base-Base interactions energy: -8.122
where: short stacking energy: -7.552
Base-Backbone interact. energy: -0.057
local terms energy: -34.024279
where:
bonds (distance) C4'-P energy: -7.421
bonds (distance) P-C4' energy: -7.706
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: 2.021
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: 1
=====================================
Write number: 494
Temperature: 2.416667
Total energy: -36.059249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.059249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.059249 (E_RNA)
where:
Base-Base interactions energy: -4.018
where: short stacking energy: -4.979
Base-Backbone interact. energy: 0.583
local terms energy: -32.624415
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -0.304
tors. eta vs tors. theta energy: 8.038
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: 3
=====================================
Write number: 494
Temperature: 2.433333
Total energy: -37.617154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.617154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.617154 (E_RNA)
where:
Base-Base interactions energy: -2.918
where: short stacking energy: 0.913
Base-Backbone interact. energy: -0.683
local terms energy: -34.015874
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -16.348
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -4.107
tors. eta vs tors. theta energy: 11.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 494
Temperature: 2.450000
Total energy: -39.273602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.273602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.273602 (E_RNA)
where:
Base-Base interactions energy: -3.478
where: short stacking energy: -2.540
Base-Backbone interact. energy: -0.039
local terms energy: -35.756381
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -3.932
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: 1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 494
Temperature: 2.466667
Total energy: -38.984248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.984248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.984248 (E_RNA)
where:
Base-Base interactions energy: -1.079
where: short stacking energy: -3.624
Base-Backbone interact. energy: -0.140
local terms energy: -37.765582
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: 0.224
flat angles P-C4'-P energy: -12.539
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: 9, replica: 10
=====================================
Write number: 494
Temperature: 2.483333
Total energy: -33.547430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.547430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.547430 (E_RNA)
where:
Base-Base interactions energy: -4.946
where: short stacking energy: -4.654
Base-Backbone interact. energy: 2.285
local terms energy: -30.885585
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -8.950
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: 1.908
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: 10, replica: 8
=====================================
Write number: 494
Temperature: 2.500000
Total energy: -39.725754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.725754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.725754 (E_RNA)
where:
Base-Base interactions energy: -5.983
where: short stacking energy: -3.996
Base-Backbone interact. energy: 2.950
local terms energy: -36.692872
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -0.316
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: 1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 495
Temperature: 2.350000
Total energy: -41.232514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.232514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.232514 (E_RNA)
where:
Base-Base interactions energy: -12.298
where: short stacking energy: -11.982
Base-Backbone interact. energy: 5.708
local terms energy: -34.642367
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -1.033
tors. eta vs tors. theta energy: 7.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 495
Temperature: 2.366667
Total energy: -39.224210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.224210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.224210 (E_RNA)
where:
Base-Base interactions energy: -11.428
where: short stacking energy: -11.428
Base-Backbone interact. energy: -0.163
local terms energy: -27.632313
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -2.773
flat angles P-C4'-P energy: -1.065
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: 3, replica: 4
=====================================
Write number: 495
Temperature: 2.383333
Total energy: -40.970401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.970401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.970401 (E_RNA)
where:
Base-Base interactions energy: -5.787
where: short stacking energy: -5.787
Base-Backbone interact. energy: -0.193
local terms energy: -34.990828
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -10.457
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -2.183
tors. eta vs tors. theta energy: 2.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 495
Temperature: 2.400000
Total energy: -37.747424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.747424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.747424 (E_RNA)
where:
Base-Base interactions energy: -7.074
where: short stacking energy: -7.074
Base-Backbone interact. energy: -0.360
local terms energy: -30.313901
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -8.654
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: 5.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 495
Temperature: 2.416667
Total energy: -41.701369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.701369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.701369 (E_RNA)
where:
Base-Base interactions energy: -5.868
where: short stacking energy: -3.955
Base-Backbone interact. energy: -0.153
local terms energy: -35.680179
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -7.728
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: 9.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 495
Temperature: 2.433333
Total energy: -34.094242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.094242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.094242 (E_RNA)
where:
Base-Base interactions energy: -7.241
where: short stacking energy: -7.241
Base-Backbone interact. energy: 3.803
local terms energy: -30.656870
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -6.196
flat angles P-C4'-P energy: -0.942
tors. eta vs tors. theta energy: 8.027
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: 3
=====================================
Write number: 495
Temperature: 2.450000
Total energy: -40.097044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.097044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.097044 (E_RNA)
where:
Base-Base interactions energy: -8.496
where: short stacking energy: -7.906
Base-Backbone interact. energy: -0.050
local terms energy: -31.550966
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -9.356
flat angles P-C4'-P energy: -2.601
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: 8, replica: 10
=====================================
Write number: 495
Temperature: 2.466667
Total energy: -39.402954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.402954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.402954 (E_RNA)
where:
Base-Base interactions energy: -4.418
where: short stacking energy: -3.033
Base-Backbone interact. energy: 0.514
local terms energy: -35.499072
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: 10.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 495
Temperature: 2.483333
Total energy: -32.736599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.736599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.736599 (E_RNA)
where:
Base-Base interactions energy: -6.015
where: short stacking energy: -5.973
Base-Backbone interact. energy: -0.388
local terms energy: -26.332945
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -10.568
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: 11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 495
Temperature: 2.500000
Total energy: -35.162896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.162896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.162896 (E_RNA)
where:
Base-Base interactions energy: -3.759
where: short stacking energy: 0.000
Base-Backbone interact. energy: -1.033
local terms energy: -30.370948
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -4.175
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: 13.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 496
Temperature: 2.350000
Total energy: -50.853260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.853260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.853260 (E_RNA)
where:
Base-Base interactions energy: -8.038
where: short stacking energy: -8.038
Base-Backbone interact. energy: -0.070
local terms energy: -42.745798
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -6.859
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: 2, replica: 7
=====================================
Write number: 496
Temperature: 2.366667
Total energy: -38.838727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.838727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.838727 (E_RNA)
where:
Base-Base interactions energy: -11.854
where: short stacking energy: -10.035
Base-Backbone interact. energy: -0.594
local terms energy: -26.391039
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -8.832
flat angles C4'-P-C4' energy: -7.770
flat angles P-C4'-P energy: -2.022
tors. eta vs tors. theta energy: 9.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 496
Temperature: 2.383333
Total energy: -38.383438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.383438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.383438 (E_RNA)
where:
Base-Base interactions energy: -5.459
where: short stacking energy: -4.601
Base-Backbone interact. energy: 0.368
local terms energy: -33.292933
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -8.543
flat angles P-C4'-P energy: -0.476
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: 496
Temperature: 2.400000
Total energy: -33.558019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.558019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.558019 (E_RNA)
where:
Base-Base interactions energy: -3.920
where: short stacking energy: -3.578
Base-Backbone interact. energy: 0.410
local terms energy: -30.047304
where:
bonds (distance) C4'-P energy: -7.279
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -3.603
tors. eta vs tors. theta energy: 7.653
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: 5, replica: 2
=====================================
Write number: 496
Temperature: 2.416667
Total energy: -37.479587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.479587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.479587 (E_RNA)
where:
Base-Base interactions energy: -13.000
where: short stacking energy: -7.405
Base-Backbone interact. energy: -0.350
local terms energy: -24.129988
where:
bonds (distance) C4'-P energy: -8.124
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -4.658
flat angles P-C4'-P energy: -2.408
tors. eta vs tors. theta energy: 8.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 496
Temperature: 2.433333
Total energy: -42.813817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.813817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.813817 (E_RNA)
where:
Base-Base interactions energy: -9.914
where: short stacking energy: -8.341
Base-Backbone interact. energy: -0.195
local terms energy: -32.704923
where:
bonds (distance) C4'-P energy: -7.760
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -3.968
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: 1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 496
Temperature: 2.450000
Total energy: -38.998031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.998031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.998031 (E_RNA)
where:
Base-Base interactions energy: -3.887
where: short stacking energy: -3.887
Base-Backbone interact. energy: -0.107
local terms energy: -35.003803
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -5.331
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: 3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 496
Temperature: 2.466667
Total energy: -40.699530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.699530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.699530 (E_RNA)
where:
Base-Base interactions energy: -8.946
where: short stacking energy: -8.380
Base-Backbone interact. energy: -0.394
local terms energy: -31.359501
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -7.362
flat angles P-C4'-P energy: -3.856
tors. eta vs tors. theta energy: 12.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 496
Temperature: 2.483333
Total energy: -35.304925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.304925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.304925 (E_RNA)
where:
Base-Base interactions energy: -11.833
where: short stacking energy: -8.381
Base-Backbone interact. energy: 0.554
local terms energy: -24.025498
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -3.170
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: 11.808
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: 10, replica: 8
=====================================
Write number: 496
Temperature: 2.500000
Total energy: -36.761669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.761669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.761669 (E_RNA)
where:
Base-Base interactions energy: -0.881
where: short stacking energy: -0.476
Base-Backbone interact. energy: -0.086
local terms energy: -35.794902
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -5.342
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: 6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 497
Temperature: 2.350000
Total energy: -43.806681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.806681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.806681 (E_RNA)
where:
Base-Base interactions energy: -7.460
where: short stacking energy: -7.460
Base-Backbone interact. energy: -0.141
local terms energy: -36.205738
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: 1.652
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: 2, replica: 1
=====================================
Write number: 497
Temperature: 2.366667
Total energy: -40.465799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.465799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.465799 (E_RNA)
where:
Base-Base interactions energy: -6.325
where: short stacking energy: -6.325
Base-Backbone interact. energy: -0.275
local terms energy: -33.865834
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -3.029
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: 6.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 497
Temperature: 2.383333
Total energy: -35.563293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.563293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.563293 (E_RNA)
where:
Base-Base interactions energy: -5.384
where: short stacking energy: -5.384
Base-Backbone interact. energy: -0.283
local terms energy: -29.895855
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -0.398
tors. eta vs tors. theta energy: 6.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 497
Temperature: 2.400000
Total energy: -35.412958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.412958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.412958 (E_RNA)
where:
Base-Base interactions energy: 0.054
where: short stacking energy: 0.000
Base-Backbone interact. energy: 0.509
local terms energy: -35.976060
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -4.278
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: 9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 497
Temperature: 2.416667
Total energy: -36.783402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.783402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.783402 (E_RNA)
where:
Base-Base interactions energy: -10.870
where: short stacking energy: -10.123
Base-Backbone interact. energy: -0.271
local terms energy: -25.642117
where:
bonds (distance) C4'-P energy: -3.490
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -8.735
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: 9.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 497
Temperature: 2.433333
Total energy: -34.031902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.031902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.031902 (E_RNA)
where:
Base-Base interactions energy: -8.475
where: short stacking energy: -5.417
Base-Backbone interact. energy: 8.340
local terms energy: -33.896958
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -9.868
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -2.111
tors. eta vs tors. theta energy: 6.948
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: 5
=====================================
Write number: 497
Temperature: 2.450000
Total energy: -31.946247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.946247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.946247 (E_RNA)
where:
Base-Base interactions energy: -1.775
where: short stacking energy: -1.377
Base-Backbone interact. energy: 2.338
local terms energy: -32.508971
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -9.527
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: 8.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 497
Temperature: 2.466667
Total energy: -43.549110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.549110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.549110 (E_RNA)
where:
Base-Base interactions energy: -13.957
where: short stacking energy: -8.670
Base-Backbone interact. energy: 0.150
local terms energy: -29.742729
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -11.888
flat angles C4'-P-C4' energy: -6.744
flat angles P-C4'-P energy: -7.564
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: 9, replica: 3
=====================================
Write number: 497
Temperature: 2.483333
Total energy: -35.317509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.317509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.317509 (E_RNA)
where:
Base-Base interactions energy: -8.559
where: short stacking energy: -1.354
Base-Backbone interact. energy: -0.738
local terms energy: -26.020062
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -0.765
tors. eta vs tors. theta energy: 10.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 497
Temperature: 2.500000
Total energy: -33.116909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.116909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.116909 (E_RNA)
where:
Base-Base interactions energy: -6.804
where: short stacking energy: -4.263
Base-Backbone interact. energy: 1.965
local terms energy: -28.277995
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -8.325
flat angles C4'-P-C4' energy: -5.558
flat angles P-C4'-P energy: -5.429
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: 1, replica: 1
=====================================
Write number: 498
Temperature: 2.350000
Total energy: -33.676880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.676880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.676880 (E_RNA)
where:
Base-Base interactions energy: -5.590
where: short stacking energy: -3.478
Base-Backbone interact. energy: -0.370
local terms energy: -27.716809
where:
bonds (distance) C4'-P energy: -6.150
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -6.647
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: 9.178
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: 9
=====================================
Write number: 498
Temperature: 2.366667
Total energy: -38.740274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.740274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.740274 (E_RNA)
where:
Base-Base interactions energy: -11.090
where: short stacking energy: -10.105
Base-Backbone interact. energy: 0.061
local terms energy: -27.711252
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -7.226
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -3.042
tors. eta vs tors. theta energy: 2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 498
Temperature: 2.383333
Total energy: -41.120480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.120480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.120480 (E_RNA)
where:
Base-Base interactions energy: -7.933
where: short stacking energy: -6.839
Base-Backbone interact. energy: -0.446
local terms energy: -32.742288
where:
bonds (distance) C4'-P energy: -7.255
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: 9.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 498
Temperature: 2.400000
Total energy: -36.066181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.066181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.066181 (E_RNA)
where:
Base-Base interactions energy: -12.501
where: short stacking energy: -11.688
Base-Backbone interact. energy: 1.300
local terms energy: -24.865143
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -10.754
flat angles C4'-P-C4' energy: -2.856
flat angles P-C4'-P energy: -1.093
tors. eta vs tors. theta energy: 7.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 498
Temperature: 2.416667
Total energy: -35.625525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.625525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.625525 (E_RNA)
where:
Base-Base interactions energy: -1.018
where: short stacking energy: -0.919
Base-Backbone interact. energy: 0.231
local terms energy: -34.838967
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -8.613
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: 7.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 498
Temperature: 2.433333
Total energy: -41.475577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.475577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.475577 (E_RNA)
where:
Base-Base interactions energy: -11.163
where: short stacking energy: -8.682
Base-Backbone interact. energy: 4.005
local terms energy: -34.317161
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -7.144
flat angles P-C4'-P energy: -1.904
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: 7, replica: 6
=====================================
Write number: 498
Temperature: 2.450000
Total energy: -37.272810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.272810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.272810 (E_RNA)
where:
Base-Base interactions energy: -6.305
where: short stacking energy: -4.649
Base-Backbone interact. energy: 0.010
local terms energy: -30.977706
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -6.311
flat angles P-C4'-P energy: 0.297
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: 8, replica: 5
=====================================
Write number: 498
Temperature: 2.466667
Total energy: -38.456062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.456062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.456062 (E_RNA)
where:
Base-Base interactions energy: -7.957
where: short stacking energy: -7.957
Base-Backbone interact. energy: -0.112
local terms energy: -30.386607
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -5.181
flat angles C4'-P-C4' energy: -7.756
flat angles P-C4'-P energy: -6.987
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: 9, replica: 8
=====================================
Write number: 498
Temperature: 2.483333
Total energy: -35.535429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.535429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.535429 (E_RNA)
where:
Base-Base interactions energy: -7.252
where: short stacking energy: -7.252
Base-Backbone interact. energy: 0.460
local terms energy: -28.743465
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -5.335
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: 6.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 498
Temperature: 2.500000
Total energy: -38.252608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.252608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.252608 (E_RNA)
where:
Base-Base interactions energy: -7.685
where: short stacking energy: -6.673
Base-Backbone interact. energy: -0.191
local terms energy: -30.376455
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -5.349
flat angles C4'-P-C4' energy: -8.065
flat angles P-C4'-P energy: -3.779
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: 1, replica: 1
=====================================
Write number: 499
Temperature: 2.350000
Total energy: -45.152307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.152307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.152307 (E_RNA)
where:
Base-Base interactions energy: -13.213
where: short stacking energy: -12.356
Base-Backbone interact. energy: -0.187
local terms energy: -31.752072
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: 1.071
tors. eta vs tors. theta energy: 8.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 499
Temperature: 2.366667
Total energy: -36.782096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.782096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.782096 (E_RNA)
where:
Base-Base interactions energy: -3.113
where: short stacking energy: -1.710
Base-Backbone interact. energy: -1.064
local terms energy: -32.605137
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -4.740
tors. eta vs tors. theta energy: 9.974
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: 9
=====================================
Write number: 499
Temperature: 2.383333
Total energy: -41.735605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.735605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.735605 (E_RNA)
where:
Base-Base interactions energy: -7.591
where: short stacking energy: -6.453
Base-Backbone interact. energy: -0.069
local terms energy: -34.075678
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: 10.264
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: 10
=====================================
Write number: 499
Temperature: 2.400000
Total energy: -38.873525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.873525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.873525 (E_RNA)
where:
Base-Base interactions energy: -10.488
where: short stacking energy: -9.884
Base-Backbone interact. energy: -0.192
local terms energy: -28.193039
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -5.190
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: 10.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 499
Temperature: 2.416667
Total energy: -41.002334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.002334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.002334 (E_RNA)
where:
Base-Base interactions energy: -6.192
where: short stacking energy: -5.183
Base-Backbone interact. energy: -0.456
local terms energy: -34.354773
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: 0.335
tors. eta vs tors. theta energy: 8.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 499
Temperature: 2.433333
Total energy: -34.104866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.104866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.104866 (E_RNA)
where:
Base-Base interactions energy: -8.230
where: short stacking energy: -7.208
Base-Backbone interact. energy: -0.865
local terms energy: -25.009536
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -7.715
flat angles C4'-P-C4' energy: -9.154
flat angles P-C4'-P energy: -0.415
tors. eta vs tors. theta energy: 9.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 499
Temperature: 2.450000
Total energy: -35.765583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.765583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.765583 (E_RNA)
where:
Base-Base interactions energy: -13.562
where: short stacking energy: -12.991
Base-Backbone interact. energy: -0.199
local terms energy: -22.004738
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -5.087
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -3.015
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: 8
=====================================
Write number: 499
Temperature: 2.466667
Total energy: -39.061638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.061638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.061638 (E_RNA)
where:
Base-Base interactions energy: -5.234
where: short stacking energy: -5.234
Base-Backbone interact. energy: 0.309
local terms energy: -34.137496
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -2.201
tors. eta vs tors. theta energy: 8.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 499
Temperature: 2.483333
Total energy: -31.261335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.261335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.261335 (E_RNA)
where:
Base-Base interactions energy: -6.785
where: short stacking energy: -6.785
Base-Backbone interact. energy: 0.067
local terms energy: -24.543018
where:
bonds (distance) C4'-P energy: -6.830
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: 12.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 499
Temperature: 2.500000
Total energy: -37.180237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.180237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.180237 (E_RNA)
where:
Base-Base interactions energy: -11.963
where: short stacking energy: -8.718
Base-Backbone interact. energy: 3.469
local terms energy: -28.686391
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -6.810
flat angles P-C4'-P energy: -3.124
tors. eta vs tors. theta energy: 8.176
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)
out arg RESULTS//1/U24-ff53cdbb_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: 2
=====================================
Write number: 500
Temperature: 2.350000
Total energy: -50.782532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.782532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.782532 (E_RNA)
where:
Base-Base interactions energy: -11.752
where: short stacking energy: -8.269
Base-Backbone interact. energy: -0.789
local terms energy: -38.242231
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: 6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 500
Temperature: 2.366667
Total energy: -36.830100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.830100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.830100 (E_RNA)
where:
Base-Base interactions energy: -3.935
where: short stacking energy: -3.421
Base-Backbone interact. energy: -0.196
local terms energy: -32.699026
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -1.103
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: 5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 500
Temperature: 2.383333
Total energy: -38.524806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.524806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.524806 (E_RNA)
where:
Base-Base interactions energy: -9.170
where: short stacking energy: -8.316
Base-Backbone interact. energy: -0.387
local terms energy: -28.967405
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -3.647
flat angles P-C4'-P energy: -5.396
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: 9
=====================================
Write number: 500
Temperature: 2.400000
Total energy: -38.148732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.148732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.148732 (E_RNA)
where:
Base-Base interactions energy: -16.740
where: short stacking energy: -17.322
Base-Backbone interact. energy: -0.199
local terms energy: -21.209589
where:
bonds (distance) C4'-P energy: -1.542
bonds (distance) P-C4' energy: -6.978
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -7.080
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: 6
=====================================
Write number: 500
Temperature: 2.416667
Total energy: -39.656441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.656441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.656441 (E_RNA)
where:
Base-Base interactions energy: -6.575
where: short stacking energy: -5.366
Base-Backbone interact. energy: 0.614
local terms energy: -33.696222
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -6.005
flat angles P-C4'-P energy: -1.925
tors. eta vs tors. theta energy: 0.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 500
Temperature: 2.433333
Total energy: -36.172340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.172340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.172340 (E_RNA)
where:
Base-Base interactions energy: -4.327
where: short stacking energy: -3.239
Base-Backbone interact. energy: -0.199
local terms energy: -31.645536
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: 1.427
tors. eta vs tors. theta energy: 9.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 500
Temperature: 2.450000
Total energy: -37.128007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.128007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.128007 (E_RNA)
where:
Base-Base interactions energy: -3.768
where: short stacking energy: -3.768
Base-Backbone interact. energy: -0.399
local terms energy: -32.960967
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -0.073
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: 1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 500
Temperature: 2.466667
Total energy: -39.680334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.680334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.680334 (E_RNA)
where:
Base-Base interactions energy: -10.837
where: short stacking energy: -6.075
Base-Backbone interact. energy: 0.271
local terms energy: -29.114584
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -8.783
flat angles C4'-P-C4' energy: -7.909
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: 7.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 500
Temperature: 2.483333
Total energy: -34.237201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.237201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.237201 (E_RNA)
where:
Base-Base interactions energy: -14.213
where: short stacking energy: -11.184
Base-Backbone interact. energy: 0.710
local terms energy: -20.734267
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: 1.309
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: 6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 500
Temperature: 2.500000
Total energy: -39.319489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.319489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.319489 (E_RNA)
where:
Base-Base interactions energy: -3.995
where: short stacking energy: -0.739
Base-Backbone interact. energy: -0.261
local terms energy: -35.063598
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -7.987
flat angles P-C4'-P energy: -2.002
tors. eta vs tors. theta energy: 9.811
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 2
=====================================
Write number: 501
Temperature: 2.350000
Total energy: -42.918362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.918362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.918362 (E_RNA)
where:
Base-Base interactions energy: -9.316
where: short stacking energy: -1.938
Base-Backbone interact. energy: -1.010
local terms energy: -32.592979
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: 11.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 501
Temperature: 2.366667
Total energy: -37.908905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.908905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.908905 (E_RNA)
where:
Base-Base interactions energy: -7.698
where: short stacking energy: -3.752
Base-Backbone interact. energy: 2.654
local terms energy: -32.864525
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: 6.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 501
Temperature: 2.383333
Total energy: -45.259036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.259036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.259036 (E_RNA)
where:
Base-Base interactions energy: -7.059
where: short stacking energy: -5.800
Base-Backbone interact. energy: 0.113
local terms energy: -38.313215
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -5.893
flat angles P-C4'-P energy: -4.570
tors. eta vs tors. theta energy: 7.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 501
Temperature: 2.400000
Total energy: -36.726440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.726440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.726440 (E_RNA)
where:
Base-Base interactions energy: -1.121
where: short stacking energy: -0.577
Base-Backbone interact. energy: -0.234
local terms energy: -35.370989
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -4.623
flat angles P-C4'-P energy: -4.594
tors. eta vs tors. theta energy: 6.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 501
Temperature: 2.416667
Total energy: -37.355705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.355705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.355705 (E_RNA)
where:
Base-Base interactions energy: -6.827
where: short stacking energy: -6.257
Base-Backbone interact. energy: 0.471
local terms energy: -31.000063
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -3.929
tors. eta vs tors. theta energy: 10.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 501
Temperature: 2.433333
Total energy: -43.197547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.197547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.197547 (E_RNA)
where:
Base-Base interactions energy: -12.052
where: short stacking energy: -11.814
Base-Backbone interact. energy: -0.576
local terms energy: -30.569662
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -4.596
tors. eta vs tors. theta energy: 8.565
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: 501
Temperature: 2.450000
Total energy: -36.870319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.870319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.870319 (E_RNA)
where:
Base-Base interactions energy: -0.530
where: short stacking energy: 0.000
Base-Backbone interact. energy: 0.536
local terms energy: -36.876495
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -6.166
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: 7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 501
Temperature: 2.466667
Total energy: -36.082348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.082348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.082348 (E_RNA)
where:
Base-Base interactions energy: -7.255
where: short stacking energy: -5.923
Base-Backbone interact. energy: 0.595
local terms energy: -29.422503
where:
bonds (distance) C4'-P energy: -2.581
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -8.239
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: 1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 501
Temperature: 2.483333
Total energy: -37.845177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.845177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.845177 (E_RNA)
where:
Base-Base interactions energy: -7.848
where: short stacking energy: -6.075
Base-Backbone interact. energy: 1.782
local terms energy: -31.779848
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -8.510
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: 10.303
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: 5
=====================================
Write number: 501
Temperature: 2.500000
Total energy: -35.987614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.987614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.987614 (E_RNA)
where:
Base-Base interactions energy: -7.848
where: short stacking energy: -4.339
Base-Backbone interact. energy: 2.934
local terms energy: -31.074134
where:
bonds (distance) C4'-P energy: -8.991
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -6.636
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: 9.742
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)
replica 10 ended at temp. level: 1, temp: 2.350000
for this replica:
moves confirmed at first: 33231795
moves confirmed later: 40662001
all moves confirmed: 73893796
percent of confirmed moves: 9.236724
current total energy: 19.424923
recalc. total energy: 19.424923
replica 2 ended at temp. level: 2, temp: 2.366667
for this replica:
moves confirmed at first: 33224455
moves confirmed later: 40647334
all moves confirmed: 73871789
percent of confirmed moves: 9.233974
current total energy: 12.650988
recalc. total energy: 12.650988
replica 6 ended at temp. level: 3, temp: 2.383333
for this replica:
moves confirmed at first: 33239004
moves confirmed later: 40699186
all moves confirmed: 73938190
percent of confirmed moves: 9.242274
current total energy: -6.651449
recalc. total energy: -6.651449
replica 1 ended at temp. level: 4, temp: 2.400000
for this replica:
moves confirmed at first: 33238237
moves confirmed later: 40658307
all moves confirmed: 73896544
percent of confirmed moves: 9.237068
current total energy: 19.620831
recalc. total energy: 19.620831
replica 8 ended at temp. level: 5, temp: 2.416667
for this replica:
moves confirmed at first: 33226888
moves confirmed later: 40649393
all moves confirmed: 73876281
percent of confirmed moves: 9.234535
current total energy: -11.429475
recalc. total energy: -11.429475
replica 9 ended at temp. level: 6, temp: 2.433333
for this replica:
moves confirmed at first: 33237177
moves confirmed later: 40670109
all moves confirmed: 73907286
percent of confirmed moves: 9.238411
current total energy: 1.690778
recalc. total energy: 1.690778
replica 3 ended at temp. level: 7, temp: 2.450000
for this replica:
moves confirmed at first: 33242592
moves confirmed later: 40748453
all moves confirmed: 73991045
percent of confirmed moves: 9.248881
current total energy: -3.579678
recalc. total energy: -3.579678
replica 7 ended at temp. level: 8, temp: 2.466667
for this replica:
moves confirmed at first: 33235509
moves confirmed later: 40646851
all moves confirmed: 73882360
percent of confirmed moves: 9.235295
current total energy: 3.743639
recalc. total energy: 3.743639
replica 5 ended at temp. level: 9, temp: 2.483333
for this replica:
moves confirmed at first: 33224945
moves confirmed later: 40666540
all moves confirmed: 73891485
percent of confirmed moves: 9.236436
current total energy: 16.264440
recalc. total energy: 16.264440
replica 4 ended at temp. level: 10, temp: 2.500000
for this replica:
moves confirmed at first: 33234855
moves confirmed later: 40657192
all moves confirmed: 73892047
percent of confirmed moves: 9.236506
current total energy: 8.993655
recalc. total energy: 8.993655
Time of doing 8000000 iterations: 1562.827 seconds